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Sample records for chemically heterogeneous porous

  1. Colloid adhesive parameters for chemical heterogeneous porous media

    Science.gov (United States)

    A simple modeling approach was developed to calculate colloid adhesive parameters for chemically heterogeneous porous media. The area of the zone of electrostatic influence between a colloid and solid-water interface (Az) was discretized into a number of equally sized grid cells to capture chemical...

  2. Mass transfer in porous media with heterogeneous chemical reaction

    Directory of Open Access Journals (Sweden)

    Souza S.M.A.G.Ulson de

    2003-01-01

    Full Text Available In this paper, the modeling of the mass transfer process in packed-bed reactors is presented and takes into account dispersion in the main fluid phase, internal diffusion of the reactant in the pores of the catalyst, and surface reaction inside the catalyst. The method of volume averaging is applied to obtain the governing equation for use on a small scale. The local mass equilibrium is assumed for obtaining the one-equation model for use on a large scale. The closure problems are developed subject to the length-scale constraints and the model of a spatially periodic porous medium. The expressions for effective diffusivity, hydrodynamic dispersion, total dispersion and the Darcy's law permeability tensors are presented. Solution of the set of final equations permits the variations of velocity and concentration of the chemical species along the packed-bed reactors to be obtained.

  3. Reactive solute transport in physically and chemically heterogeneous porous media with multimodal reactive mineral facies: The Lagrangian approach

    CERN Document Server

    Soltanian, Mohamad Reza; Dai, Zhenxue; Huang, Chaocheng

    2014-01-01

    Physical and chemical heterogeneities have a large impact on reactive transport in porous media. Examples of heterogeneous attributes affecting reactive mass transport are the hydraulic conductivity (K), and the equilibrium sorption distribution coefficient (Kd). This paper uses the Deng et al. (2013) conceptual model for multimodal reactive mineral facies and a Lagrangian-based stochastic theory in order to analyze the reactive solute dispersion in three-dimensional anisotropic heterogeneous porous media with hierarchical organization of reactive minerals. An example based on real field data is used to illustrate the time evolution trends of reactive solute dispersion. The results show that the correlation between the hydraulic conductivity and the equilibrium sorption distribution coefficient does have a significant effect on reactive solute dispersion. The anisotropy ratio does not have a significant effect on reactive solute dispersion. Furthermore, through a sensitivity analysis we investigate the impact...

  4. A Theoretical Analysis of Colloid Attachment and Straining in Chemically Heterogeneous Porous Media

    DEFF Research Database (Denmark)

    Bradford, Scott A.; Torkzaban, Saeed; Shapiro, Alexander

    2013-01-01

    attachment conditions. This model considers resistance due to deformation and the horizontal component of the adhesive force (FAT), spatial variations in the pore scale velocity distribution, and the influence of hr on lever arms for TH and TA. Values of Sf* were calculated for a wide range...... of physicochemical properties to gain insight into mechanisms and factors influencing colloid immobilization. Colloid attachment processes were demonstrated to depend on solution ionic strength (IS), the colloid radius (rc), the Young’s modulus (K), the amount of chemical heterogeneity (P+), and the Darcy velocity...

  5. Dual-tracer transport experiments in a physically and chemically heterogeneous porous aquifer: effective transport parameters and spatial variability

    Science.gov (United States)

    Ptak, T.; Schmid, G.

    1996-08-01

    In order to investigate the effects of reactive transport processes within a heterogeneous porous aquifer, two small-scale forced gradient tracer tests were conducted at the 'Horkheimer Insel' field site. During the experiments, two fluorescent tracers were injected simultaneously in the same fully penetrating groundwater monitoring well, located approximately 10 m from the pumping well. Fluoresceine and Rhodamine WT were used to represent the classes of practically non-sorbing and sorbing solutes, respectively. Multilevel breakthrough curves with a temporal resolution of 1 min were measured for both tracers at different depths within the pumping well using fibre-optic fluorimeters. This paper presents the tracer test design, the fibre-optic fluorimetry instrumentation, the experimental results and the interpretation of the measured multilevel breakthrough curves in terms of temporal moments and effective transport parameters. Significant sorption of Rhodamine WT is apparent from the effective retardation factors. Furthermore, an enhanced tailing of Rhodamine WT breakthrough curves is observed, which is possibly caused by a variability of aquifer sorption properties. The determined effective parameters are spatially variable, suggesting that a complex numerical flow and transport modelling approach within a stochastic framework will be needed to adequately describe the transport behaviour observed in the two experiments. Therefore, the tracer test results will serve in future work for the validation of numerical stochastic transport simulations taking into account the spatial variability of hydraulic conductivity and sorption-related aquifer properties.

  6. Heterogenous Combustion of Porous Graphite Particles in Normal and Microgravity

    Science.gov (United States)

    Chelliah, Harsha K.; Miller, Fletcher J.; Delisle, Andrew J.

    2001-01-01

    Combustion of solid fuel particles has many important applications, including power generation and space propulsion systems. The current models available for describing the combustion process of these particles, especially porous solid particles, include various simplifying approximations. One of the most limiting approximations is the lumping of the physical properties of the porous fuel with the heterogeneous chemical reaction rate constants. The primary objective of the present work is to develop a rigorous model that could decouple such physical and chemical effects from the global heterogeneous reaction rates. For the purpose of validating this model, experiments with porous graphite particles of varying sizes and porosity are being performed. The details of this experimental and theoretical model development effort are described.

  7. The Migration and Entrapment of DNAPLs in Physically and Chemically Heterogeneous Porous Media - Final Report - 09/15/1996 - 09/15/2000

    Energy Technology Data Exchange (ETDEWEB)

    Abriola, L. M.; Demond, A. H.

    2000-09-15

    Hazardous dense nonaqueous phase liquids (DNAPLs), such as chlorinated solvents, are slightly water soluble and pose a serious threat to soil and groundwater supplies in many portions of the United States. The migration and entrapment of DNAPLs in the subsurface environment is typically believed to be controlled by physical heterogeneities; i.e, layers and lenses of contrasting soil texture. The rationale for this assumption is that capillarity, as determined by the soil texture, is the dominant transport mechanism. Capillarity also depends on interfacial tension and medium wettability. Interfacial tension and medium wettability may be spatially and temporally dependent due to variations in aqueous phase chemistry, contaminant aging, and/or variations in mineralogy and organic matter distributions. Such chemical heterogeneities have largely been ignored to date, even though they are known to have dramatic effects on the hydraulic property relations. Numerical multiphase flow and transport models typically assume that solids are water-wet and that interfacial tension is constant. The primary objective of this research is to investigate the influence of coupled physical and chemical heterogeneities on the migration and entrapment of DNAPLs. This objective will be accomplished through a combination of laboratory and numerical experiments. Laboratory experiments will be conducted to examine: (i) aqueous phase chemistry effects on medium wettability and interfacial tension; and (ii) relative permeability-saturation-capillary pressure relations for chemically heterogeneous systems. An important objective of this research is to modify a two-dimensional multiphase flow and transport model to account for chemically and physically heterogeneous systems. This numerical simulator will be used in conjunction with independently measured parameters to simulate two-dimensional DNAPL infiltration experiments. Comparisons of simulated and laboratory data will provide a means to

  8. Porous metal-organic frameworks for heterogeneous biomimetic catalysis.

    Science.gov (United States)

    Zhao, Min; Ou, Sha; Wu, Chuan-De

    2014-04-15

    Metalloporphyrins are the active sites in monooxygenases that oxidize a variety of substrates efficiently and under mild conditions. Researchers have developed artificial metalloporphyrins, but these structures have had limited catalytic applications. Homogeneous artificial metalloporphyrins can undergo catalytic deactivation via suicidal self-oxidation, which lowers their catalytic activity and sustainability relative to their counterparts in Nature. Heme molecules in protein scaffolds can maintain high efficiency over numerous catalytic cycles. Therefore, we wondered if immobilizing metalloporphyrin moieties within porous metal-organic frameworks (MOFs) could stabilize these structures and facilitate the molecular recognition of substrates and produce highly efficient biomimetic catalysis. In this Account, we describe our research to develop multifunctional porphyrinic frameworks as highly efficient heterogeneous biomimetic catalysts. Our studies indicate that porous porphyrinic frameworks provide an excellent platform for mimicking the activity of biocatalysts and developing new heterogeneous catalysts that effect new chemical transformations under mild conditions. The porous structures and framework topologies of the porphyrinic frameworks depend on the configurations, coordination donors, and porphyrin metal ions of the metalloporphyrin moieties. To improve the activity of porous porphyrinic frameworks, we have developed a two-step synthesis that introduces the functional polyoxometalates (POMs) into POM-porphyrin hybrid materials. To tune the pore structures and the catalytic properties of porphyrinic frameworks, we have designed metalloporphyrin M-H8OCPP ligands with four m-benzenedicarboxylate moieties, and introduced the secondary auxiliary ligands. The porphyrin metal ions and the secondary functional moieties that are incorporated into porous metal-organic frameworks greatly influence the catalytic properties and activities of porphyrinic frameworks in

  9. Progress on Porous Ceramic Membrane Reactors for Heterogeneous Catalysis over Ultrafine and Nano-sized Catalysts

    Institute of Scientific and Technical Information of China (English)

    JIANG Hong; MENG Lie; CHEN Rizhi; JIN Wanqin; XING Weihong; XU Nanping

    2013-01-01

    Heterogeneous catalysts with ultrafine or nano particle size have currently attracted considerable attentions in the chemical and petrochemical production processes,but their large-scale applications remain challenging because of difficulties associated with their efficient separation from the reaction slurry.A porous ceramic membrane reactor has emerged as a promising method to solve the problem concerning catalysts separation in situ from the reaction mixture and make the production process continuous in heterogeneous catalysis.This article presents a review of the present progress on porous ceramic membrane reactors for heterogeneous catalysis,which covers classification of configurations of porous ceramic membrane reactor,major considerations and some important industrial applications.A special emphasis is paid to major considerations in term of application-oriented ceramic membrane design,optimization of ceramic membrane reactor performance and membrane fouling mechanism.Finally,brief concluding remarks on porous ceramic membrane reactors are given and possible future research interests are also outlined.

  10. Plume dynamics in heterogeneous porous media

    Science.gov (United States)

    Neufeld, Jerome A.; Huppert, Herbert E.

    2008-11-01

    Buoyancy driven flows in layered porous media are present in many geological settings and play an important role in the mixing of fluids, from the dispersal of pollutants in underground aquifers to enhanced oil recovery techniques and, of more recent importance, the sequestration of carbon dioxide (CO2). Seismic images of the rise of a buoyant CO2 plume at Sleipner in the North Sea indicate that these plumes are greatly influenced by a vertical array of thin lenses of relatively low permeability material. We model propagation of CO2 at each layer as a gravity current in a porous medium which propagates along, and drains through, a thin, low permeability seal. Drainage, driven both by hydrostatic pressure and the body force on the draining fluid, leads to an initial rapid advance followed by a gradual retreat of the current to a steady-state. By incorporating a vertical array of these single layer models we are able to capture the rise of the buoyant plume in layered reservoirs. We find that the plume is characterized by a broad head with a tail given by the steady state extent.

  11. Heterogeneity of Energy and Geometry for Meso-porous Materials

    Institute of Scientific and Technical Information of China (English)

    Wenchuan Wang

    2004-01-01

    @@ The discovery of novel meso-porous materials having cylindrical and slit-like pores, such as zeolites,carbon nanotubes, activated carbon and meso-carbon microbeads (MCMBs), has aroused much attention in recent years. These materials are not only used directly as adsorbents, but also as substrates of catalysts for loading metals and other active substances.However, the description of heterogeneity of energy and of geometry of the pores is essential for characterization of these materials, and in computer simulations and density functional theory (DFT) calculation. Here, some approaches for dealing the heterogeneity are addressed for highlighting recent and future developments.

  12. RECENT ADVANCES OF UPSCALING METHODS FOR THE SIMULATION OF FLOW TRANSPORT THROUGH HETEROGENEOUS POROUS MEDIA

    Institute of Scientific and Technical Information of China (English)

    Zhiming Chen

    2006-01-01

    We review some of our recent efforts in developing upscaling methods for simulating the flow transport through heterogeneous porous media. In particular, the steady flow transport through highly heterogeneous porous media driven by extraction wells and the flow transport through unsaturated porous media will be considered.

  13. Maximum estimates for generalized Forchheimer flows in heterogeneous porous media

    Science.gov (United States)

    Celik, Emine; Hoang, Luan

    2017-02-01

    This article continues the study in [4] of generalized Forchheimer flows in heterogeneous porous media. Such flows are used to account for deviations from Darcy's law. In heterogeneous media, the derived nonlinear partial differential equation for the pressure can be singular and degenerate in the spatial variables, in addition to being degenerate for large pressure gradient. Here we obtain the estimates for the L∞-norms of the pressure and its time derivative in terms of the initial and the time-dependent boundary data. They are established by implementing De Giorgi-Moser's iteration in the context of weighted norms with the weights specifically defined by the Forchheimer equation's coefficient functions. With these weights, we prove suitable weighted parabolic Poincaré-Sobolev inequalities and use them to facilitate the iteration. Moreover, local in time L∞-bounds are combined with uniform Gronwall-type energy inequalities to obtain long-time L∞-estimates.

  14. Modeling heterogeneous chemical processes on aerosol surface

    Institute of Scientific and Technical Information of China (English)

    Junjun Deng; Tijian Wang; Li Liu; Fei Jiang

    2010-01-01

    To explore the possible impact of heterogeneous chemical processes on atmospheric trace components,a coupled box model including gas-phase chemical processes,aerosol thermodynamic equilibrium processes,and heterogeneous chemical processes on the surface of dust,black carbon(BC)and sea salt is set up to simulate the effects of heterogeneous chemistry on the aerosol surface,and analyze the primary factors affecting the heterogeneous processes.Results indicate that heterogeneous chemical processes on the aerosol surface in the atmosphere will affect the concentrations of trace gases such as H2O2,HO2,O3,NO2,NO3,HNO3 and SO2,and aerosols such as SO42-,NO3-and NH4+.Sensitivity tests suggest that the magnitude of the impact of heterogeneous processes strongly depends on aerosol concentration and the surface uptake coefficients used in the box model.However,the impact of temperature on heterogeneous chemical processes is considerably less.The"renoxification"of HNO3 will affect the components of the troposphere such as nitrogen oxide and ozone.

  15. Adaptive multiresolution modeling of groundwater flow in heterogeneous porous media

    Science.gov (United States)

    Malenica, Luka; Gotovac, Hrvoje; Srzic, Veljko; Andric, Ivo

    2016-04-01

    Proposed methodology was originally developed by our scientific team in Split who designed multiresolution approach for analyzing flow and transport processes in highly heterogeneous porous media. The main properties of the adaptive Fup multi-resolution approach are: 1) computational capabilities of Fup basis functions with compact support capable to resolve all spatial and temporal scales, 2) multi-resolution presentation of heterogeneity as well as all other input and output variables, 3) accurate, adaptive and efficient strategy and 4) semi-analytical properties which increase our understanding of usually complex flow and transport processes in porous media. The main computational idea behind this approach is to separately find the minimum number of basis functions and resolution levels necessary to describe each flow and transport variable with the desired accuracy on a particular adaptive grid. Therefore, each variable is separately analyzed, and the adaptive and multi-scale nature of the methodology enables not only computational efficiency and accuracy, but it also describes subsurface processes closely related to their understood physical interpretation. The methodology inherently supports a mesh-free procedure, avoiding the classical numerical integration, and yields continuous velocity and flux fields, which is vitally important for flow and transport simulations. In this paper, we will show recent improvements within the proposed methodology. Since "state of the art" multiresolution approach usually uses method of lines and only spatial adaptive procedure, temporal approximation was rarely considered as a multiscale. Therefore, novel adaptive implicit Fup integration scheme is developed, resolving all time scales within each global time step. It means that algorithm uses smaller time steps only in lines where solution changes are intensive. Application of Fup basis functions enables continuous time approximation, simple interpolation calculations across

  16. Porous-Hybrid Polymers as Platforms for Heterogeneous Photochemical Catalysis

    KAUST Repository

    Haikal, Rana R.

    2016-07-18

    A number of permanently porous polymers containing Ru(bpy)n photosensitizer or a cobaloxime complex, as a proton-reduction catalyst, were constructed via one-pot Sonogashira-Hagihara (SH) cross-coupling reactions. This process required minimal workup to access porous platforms with control over the apparent surface area, pore volume, and chemical functionality from suitable molecular building blocks (MBBs) containing the Ru or Co complexes, as rigid and multi-topic nodes. The cobaloxime molecular building block, generated through in situ metalation, afforded a microporous solid that demonstrated noticeable catalytic activity towards hydrogen-evolution reaction (HER) with remarkable recyclability. We further demonstrated, in two cases, the ability to affect the excited state lifetime of the covalently-immobilized Ru(bpy)3 complex attained through deliberate utilization of the organic linkers of variable dimensions. Overall, this approach facilitates construction of tunable porous solids, with hybrid composition and pronounced chemical and physical stability, based on the well-known Ru(bpy)nor the cobaloxime complexes.

  17. Flows and chemical reactions in heterogeneous mixtures

    CERN Document Server

    Prud'homme, Roger

    2014-01-01

    This book - a sequel of previous publications 'Flows and Chemical Reactions' and 'Chemical Reactions in Flows and Homogeneous Mixtures' - is devoted to flows with chemical reactions in heterogeneous environments.  Heterogeneous media in this volume include interfaces and lines. They may be the site of radiation. Each type of flow is the subject of a chapter in this volume. We consider first, in Chapter 1, the question of the generation of environments biphasic individuals: dusty gas, mist, bubble flow.  Chapter 2 is devoted to the study at the mesoscopic scale: particle-fluid exchange of mom

  18. Heterogeneous electrocatalysis in porous cathodes of solid oxide fuel cells

    CERN Document Server

    Fu, Y; Bertei, A; Qi, C; Mohanram, A; Pietras, J D; Bazant, M Z

    2014-01-01

    A general physics-based model is developed for heterogeneous electrocatalysis in porous electrodes and used to predict and interpret the impedance of solid oxide fuel cells. This model describes the coupled processes of oxygen gas dissociative adsorption and surface diffusion of the oxygen intermediate to the triple phase boundary, where charge transfer occurs. The model accurately captures the Gerischer-like frequency dependence and the oxygen partial pressure dependence of the impedance of symmetric cathode cells. Digital image analysis of the microstructure of the cathode functional layer in four different cells directly confirms the predicted connection between geometrical properties and the impedance response. As in classical catalysis, the electrocatalytic activity is controlled by an effective Thiele modulus, which is the ratio of the surface diffusion length (mean distance from an adsorption site to the triple phase boundary) to the surface boundary layer length (square root of surface diffusivity div...

  19. Heterogeneities of flow in stochastically generated porous media

    Science.gov (United States)

    Hyman, Jeffrey D.; Smolarkiewicz, Piotr K.; Winter, C. Larrabee

    2012-11-01

    Heterogeneous flows are observed to result from variations in the geometry and topology of pore structures within stochastically generated three dimensional porous media. A stochastic procedure generates media comprising complex networks of connected pores. Inside each pore space, the Navier-Stokes equations are numerically integrated until steady state velocity and pressure fields are attained. The intricate pore structures exert spatially variable resistance on the fluid, and resulting velocity fields have a wide range of magnitudes and directions. Spatially nonuniform fluid fluxes are observed, resulting in principal pathways of flow through the media. In some realizations, up to 25% of the flux occurs in 5% of the pore space depending on porosity. The degree of heterogeneity in the flow is quantified over a range of porosities by tracking particle trajectories and calculating their attributes including tortuosity, length, and first passage time. A representative elementary volume is first computed so the dependence of particle based attributes on the size of the domain through which they are followed is minimal. High correlations between the dimensionless quantities of porosity and tortuosity are calculated and a logarithmic relationship is proposed. As the porosity of a medium increases the flow field becomes more uniform.

  20. Flow of miscible and immiscible hydrocarbons in heterogeneous porous media

    Energy Technology Data Exchange (ETDEWEB)

    Butts, M.B.

    1996-12-31

    A series of large-scale two-dimensional physical model studies has been carried out in order to better understand and predict the multiphase flow of hydrocarbon contaminants and the release of the water-soluble fraction of such contaminants into the groundwater stream. The detailed measurements of the fluid saturations within the bulk hydrocarbon plume as well as the aqueous concentrations recorded downstream should provide a useful data set for testing and improving numerical models of both multiphase flow and transport. Predictions of a numerical model of immiscible multiphase flow developed in the petroleum industry were found to compare favourably with the observed oil plume for the case of an immiscible oil spill. Nevertheless, subtle layering within the experimental flume altered the long-term development of the oil plume in a manner not predicted by the numerical model. A stochastic model for three-dimensional, two-phase incompressible flow in heterogeneous soil and rock formations is developed. Analytical solutions for the resulting stochastic differential equations are derived for asymptotic flows using a perturbation approach. These solutions were used to derive general expressions for the large-scale (effective) properties for large-scale two-phase flow in porous media. An important observation from this analysis is that general large-scale flow in heterogeneous soils cannot be predicted on the basis of simple averages of the soil hydraulic properties alone. The large-scale capillary pressure saturation relation is evaluated for imbibition into a wet soil or rock formation. (EG) 194 refs.

  1. Complexity Reduction of Multiphase Flows in Heterogeneous Porous Media

    KAUST Repository

    Ghommem, Mehdi

    2015-04-22

    In this paper, we apply mode decomposition and interpolatory projection methods to speed up simulations of two-phase flows in heterogeneous porous media. We propose intrusive and nonintrusive model-reduction approaches that enable a significant reduction in the size of the subsurface flow problem while capturing the behavior of the fully resolved solutions. In one approach, we use the dynamic mode decomposition. This approach does not require any modification of the reservoir simulation code but rather post-processes a set of global snapshots to identify the dynamically relevant structures associated with the flow behavior. In the second approach, we project the governing equations of the velocity and the pressure fields on the subspace spanned by their proper-orthogonal-decomposition modes. Furthermore, we use the discrete empirical interpolation method to approximate the mobility-related term in the global-system assembly and then reduce the online computational cost and make it independent of the fine grid. To show the effectiveness and usefulness of the aforementioned approaches, we consider the SPE-10 benchmark permeability field, and present a numerical example in two-phase flow. One can efficiently use the proposed model-reduction methods in the context of uncertainty quantification and production optimization.

  2. Self-similar profiles for capillary diffusion driven flow in heterogeneous porous media

    NARCIS (Netherlands)

    Duijn, C.J. van; Neef, M.J. de

    1996-01-01

    In this paper we consider the process of one-dimensional redistribution of two immiscible and incompressible fluids in a heterogeneous porous medium. We treat in detail the special case in which the initial saturation as well as the properties of the porous medium have a single coinciding discontinu

  3. On the validity of effective formulations for transport through heterogeneous porous media

    Science.gov (United States)

    de Dreuzy, Jean-Raynald; Carrera, Jesus

    2016-04-01

    Geological heterogeneity enhances spreading of solutes and causes transport to be anomalous (i.e., non-Fickian), with much less mixing than suggested by dispersion. This implies that modeling transport requires adopting either stochastic approaches that model heterogeneity explicitly or effective transport formulations that acknowledge the effects of heterogeneity. A number of such formulations have been developed and tested as upscaled representations of enhanced spreading. However, their ability to represent mixing has not been formally tested, which is required for proper reproduction of chemical reactions and which motivates our work. We propose that, for an effective transport formulation to be considered a valid representation of transport through heterogeneous porous media (HPM), it should honor mean advection, mixing and spreading. It should also be flexible enough to be applicable to real problems. We test the capacity of the multi-rate mass transfer (MRMT) model to reproduce mixing observed in HPM, as represented by the classical multi-Gaussian log-permeability field with a Gaussian correlation pattern. Non-dispersive mixing comes from heterogeneity structures in the concentration fields that are not captured by macrodispersion. These fine structures limit mixing initially, but eventually enhance it. Numerical results show that, relative to HPM, MRMT models display a much stronger memory of initial conditions on mixing than on dispersion because of the sensitivity of the mixing state to the actual values of concentration. Because MRMT does not restitute the local concentration structures, it induces smaller non-dispersive mixing than HPM. However long-lived trapping in the immobile zones may sustain the deviation from dispersive mixing over much longer times. While spreading can be well captured by MRMT models, in general non-dispersive mixing cannot.

  4. Pore Scale Heterogeneity in the Mineral Distribution, Surface Area and Adsorption in Porous Rocks

    Science.gov (United States)

    Lai, P. E. P.; Krevor, S. C.

    2014-12-01

    The impact of heterogeneity in chemical transport and reaction is not understood in continuum (Darcy/Fickian) models of reactive transport. This is manifested in well-known problems such as scale dependent dispersion and discrepancies in reaction rate observations made at laboratory and field scales [1]. Additionally, this is a source of uncertainty for carbon dioxide injection, which produces a reactive fluid-rock system particularly in carbonate rock reservoirs. A potential cause is the inability of the continuum approach to incorporate the impact of heterogeneity in pore-scale reaction rates. This results in part from pore-scale heterogeneities in surface area of reactive minerals [2, 3]. We use x-ray micro tomography to describe the non-normal 3-dimensional distribution of reactive surface area within a porous medium according to distinct mineral groups. Using in-house image processing techniques, thin sections, nitrogen BET surface area, backscattered electron imaging and energy dispersive spectroscopy, we compare the surface area of each mineral phase to those obtained from x-ray CT imagery. In all samples, there is little correlation between the reactive surface area fraction and the volumetric fraction of a mineral in a bulk rock. Berea sandstone was far less heterogeneous and has a characteristic pore size at which a surface area distribution may be used to quantify heterogeneity. In carbonates, heterogeneity is more complex and surface area must be characterized at multiple length scales for an accurate description of reactive transport. We combine the mineral specific surface area characterisation to dynamic tomography, imaging the flow of water and solutes, to observe flow dependent and mineral specific adsorption. The observations may contribute to the incorporation of experimentally based statistical descriptions of pore scale heterogeneity in reactive transport into upscaled models, moving it closer to predictive capabilities for field scale

  5. Compositional multiphase flow and transport in heterogeneous porous media

    Energy Technology Data Exchange (ETDEWEB)

    Huber, R.U.

    2000-07-01

    This work first treats the conceptual models for the description of multiphase flow processes in porous media. The thermodynamic laws are explained and the description and quantification of multi-fluid equilibria are discussed in order to account for fluid composition. The fully and weakly coupled approaches for the mathematical description of such flow processes with respect to systems consisting of two and three fluid phases as well as with respect to compositional single and multiphase systems are assessed. For the discretization of the two-phase flow equations node- and cell-centered finite volume methods and mixed and mixed-hybrid finite element approaches are applied. Based upon these methods five solution algorithms are developed. Four of these algorithms are based on the simultaneous solution of the discretized equations in combination with the Newton-Raphson technique. Methods 1 and 2 treat two- three-phase flow processes, Method 3 applies to the solution of partially miscible three-component systems while Method 4 is created for three-phase three-component systems. The latter method uses a variable substitution dependent on the local presence of the fluid phases. Method 5 is based on the IMPES/IMPESC concept. The time-implicit pressure equation is discretized with the mixed-hybrid finite element method. The saturation and concentration equations, respectively, are solved with a cell-centered finite volume scheme. The developed algorithms are applied to the two- and three-phase Buckley-Leverett problems. A partitioning interwell tracer test is simulated. The propagation behavior of nonaqueous phase liquids (NAPLs) in the saturated and unsaturated ground zone under the influence of heterogeneities are examined. In addition, a larger-scale experiment is simulated, which involves an injection of trichloroethylene into the subsurface and the subsequent distribution. Here, the development of a dissolved contaminant plume as well as the behavior of organic

  6. Effects of Heterogeneity on Transport of Graphene Oxide in Saturated and Unsaturated Porous Media

    Science.gov (United States)

    Dong, S.; Sun, Y.; Shi, X.; Wu, J.; Gao, B.

    2015-12-01

    Graphene oxide (GO) has received increasing attention in many fields with its wide applications and rapid growth in production. Therefore, it is expected that GO nanoparticles will inevitably be released into the subsurface and cause the environmental risk subsequently. In view of this, knowledge of the fate for GO in the vadose zone and groundwater systems is indispensable. So far most research has focused on the deposition and transport of GO nanoparticles in one-dimensional homogenous porous media; nonetheless, the complex heterogeneous system is extensively distributed in natural subsurface environment and may not be well represented by the homogeneous packed columns. However, little investigations have been directed toward understanding the transport of GO in heterogeneous porous media. The overarching objective of this study is to advance current understanding of GO transport in structured heterogeneous porous media. The saturated and unsaturated columns packed with different sand combinations and solution ionic strength, were used to examine the breakthrough behavior of GO in heterogeneous porous media. A two-domain model considering GO exchange between zones was developed to describe GO transport in structured, heterogeneous porous media. The experimental data indicate that volumetric moisture content and water flow are the critical factors that control GO transport in heterogeneous porous media. And higher ionic strength decrease the mobility of GO particles in both saturated and unsaturated heterogeneous pore media. Simulations of this two-domain nanoparticle transport model matched experimental breakthrough data well for all the experimental conditions. Experimental and model results show that under saturated conditions, both fast-flow and slow-flow domains affect colloid transport in heterogeneous media. Under unsaturated conditions, however, our results indicate that flows in the fast flow domain dominate the colloid transport and retention processes.

  7. Effects of incomplete mixing on chemical reactions under flow heterogeneities.

    Science.gov (United States)

    Perez, Lazaro; Hidalgo, Juan J.; Dentz, Marco

    2016-04-01

    Evaluation of the mixing process in aquifers is of primary importance when assessing attenuation of pollutants. In aquifers different hydraulic and chemical properties can increase mixing and spreading of the transported species. Mixing processes control biogeochemical transformations such as precipitation/dissolution reactions or degradation reactions that are fast compared to mass transfer processes. Reactions are local phenomena that fluctuate at the pore scale, but predictions are often made at much larger scales. However, aquifer heterogeities are found at all scales and generates flow heterogeneities which creates complex concentration distributions that enhances mixing. In order to assess the impact of spatial flow heterogeneities at pore scale we study concentration profiles, gradients and reaction rates using a random walk particle tracking (RWPT) method and kernel density estimators to reconstruct concentrations and gradients in two setups. First, we focus on a irreversible bimolecular reaction A+B → C under homogeneous flow to distinguish phenomena of incomplete mixing of reactants from finite-size sampling effects. Second, we analise a fast reversible bimolecular chemical reaction A+B rightleftharpoons C in a laminar Poiseuille flow reactor to determine the difference between local and global reaction rates caused by the incomplete mixing under flow heterogeneities. Simulation results for the first setup differ from the analytical solution of the continuum scale advection-dispersion-reaction equation studied by Gramling et al. (2002), which results in an overstimation quantity of reaction product (C). In the second setup, results show that actual reaction rates are bigger than the obtained from artificially mixing the system by averaging the concentration vertically. - LITERATURE Gramling, C. M.,Harvey, C. F., Meigs, and L. C., (2002). Reactive transport in porous media: A comparison of model prediction with laboratory visualization, Environ. Sci

  8. Experimental investigation of fluid drop spreading on heterogeneous and anisotropic porous media.

    Science.gov (United States)

    Arora, Deepak; Deshpande, Abhijit P; Chakravarthy, S R

    2006-01-15

    Study of spreading phenomena on porous substrates is important from theoretical as well as applications point of view. An example of such applications is composite processing, where operations involve displacement of air/volatiles by polymeric fluids through porous media composed of fibers. In this work, dynamics of drop spreading was investigated on fibrous porous substrates used in composite processing. These porous media are heterogeneous and anisotropic. Spreading front of silicon oil drops was tracked on borosilicate glass, quartz, and two different kinds of glass fiber mats: woven fabric and unidirectional. For the woven fabric, spreading front was observed to progress in steps of increasing and decreasing rate. For the unidirectional mat, the spreading front progressed with decreasing rate. The dynamics of spreading were fitted to power law in order to compare results with other porous substrates.

  9. Information entropy to measure the spatial and temporal complexity of solute transport in heterogeneous porous media

    Science.gov (United States)

    Li, Weiyao; Huang, Guanhua; Xiong, Yunwu

    2016-04-01

    The complexity of the spatial structure of porous media, randomness of groundwater recharge and discharge (rainfall, runoff, etc.) has led to groundwater movement complexity, physical and chemical interaction between groundwater and porous media cause solute transport in the medium more complicated. An appropriate method to describe the complexity of features is essential when study on solute transport and conversion in porous media. Information entropy could measure uncertainty and disorder, therefore we attempted to investigate complexity, explore the contact between the information entropy and complexity of solute transport in heterogeneous porous media using information entropy theory. Based on Markov theory, two-dimensional stochastic field of hydraulic conductivity (K) was generated by transition probability. Flow and solute transport model were established under four conditions (instantaneous point source, continuous point source, instantaneous line source and continuous line source). The spatial and temporal complexity of solute transport process was characterized and evaluated using spatial moment and information entropy. Results indicated that the entropy increased as the increase of complexity of solute transport process. For the point source, the one-dimensional entropy of solute concentration increased at first and then decreased along X and Y directions. As time increased, entropy peak value basically unchanged, peak position migrated along the flow direction (X direction) and approximately coincided with the centroid position. With the increase of time, spatial variability and complexity of solute concentration increase, which result in the increases of the second-order spatial moment and the two-dimensional entropy. Information entropy of line source was higher than point source. Solute entropy obtained from continuous input was higher than instantaneous input. Due to the increase of average length of lithoface, media continuity increased, flow and

  10. Dynamics of Coupled Contaminant and Microbial Transport in Heterogeneous Porous Media: Purdue Component

    Energy Technology Data Exchange (ETDEWEB)

    Cushman, J.H.; Madilyn Fletcher

    2000-06-01

    Dynamic microbial attachment/detachment occurs in subsurface systems in response to changing environmental conditions caused by contaminant movement and degradation. Understanding the environmental conditions and mechanisms by which anaerobic bacteria partition between aqueous and solid phases is a critical requirement for designing and evaluating in situ bioremediation efforts. This interdisciplinary research project, of which we report only the Purdue contribution, provides fundamental information on the attachment/detachment dynamics of bacteria in heterogeneous porous media. Fundamental results from the Purdue collaboration are: (a) development of a matched-index method for obtaining 3-D Lagrangian trajectories of microbial sized particles transporting within porous media or microflow cells, (b) application of advanced numerical methods to optimally design a microflow cell for studying anaerobic bacterial attachment/detachment phenomena, (c) development of two types of models for simulating bacterial movement and attachment/detachment in microflow cells and natural porous media, (d) application of stochastic analysis to upscale pore scale microbial attachment/detachment models to natural heterogeneous porous media, and (e) evaluation of the role nonlocality plays in microbial dynamics in heterogeneous porous media

  11. Dynamics of Coupled Contaminant and Microbial Transport in Heterogeneous Porous Media: Purdue Component

    Energy Technology Data Exchange (ETDEWEB)

    Cushman, J.H.

    2000-06-01

    Dynamic microbial attachment/detachment occurs in subsurface systems in response to changing environmental conditions caused by contaminant movement and degradation. Understanding the environmental conditions and mechanisms by which anaerobic bacteria partition between aqueous and solid phases is a critical requirement for designing and evaluating in situ bioremediation efforts. This interdisciplinary research project, of which we report only the Purdue contribution, provides fundamental information on the attachment/detachment dynamics of bacteria in heterogeneous porous media. Fundamental results from the Purdue collaboration are: (a) development of a matched-index method for obtaining 3-D Lagrangian trajectories of microbial sized particles transporting within porous media or microflow cells, (b) application of advanced numerical methods to optimally design a microflow cell for studying anaerobic bacterial attachment/detachment phenomena, (c) development of two types of models for simulating bacterial movement and attachment/detachment in microflow cells and natural porous media, (d) application of stochastic analysis to upscale pore scale microbial attachment/detachment models to natural heterogeneous porous media, and (e) evaluation of the role nonlocality plays in microbial dynamics in heterogeneous porous media.

  12. A travel time-based approach to model kinetic sorption in highly heterogeneous porous media via reactive hydrofacies

    Science.gov (United States)

    Finkel, Michael; Grathwohl, Peter; Cirpka, Olaf A.

    2016-12-01

    We present a semianalytical model for the transport of solutes being subject to sorption in porous aquifers. We couple a travel time-based model of advective transport with a spherical diffusion model of kinetic sorption in nonuniform material mixtures. The model is formulated in the Laplace domain and transformed to the time domain by numerical inversion. By this, three-dimensional transport of solutes undergoing mass transfer between aqueous and solid phases can be simulated very efficiently. The model addresses both hydraulic and reactive heterogeneity of porous aquifers by means of hydrofacies, which function as homogeneous but nonuniform subunits. The total exposure time to each of these subunits controls the magnitude of sorption effects, whereas the particular sequence of facies through which the solute passes is irrelevant. We apply the model to simulate the transport of phenanthrene in a fluvio-glacial aquifer, for which the hydrofacies distribution is known at high resolution, the lithological composition of each facies has been analyzed, and sorption properties of the lithological components are available. Taking the fully resolved hydrofacies model as reference, we evaluate different approximations referring to lower information levels, reflecting shortcomings in typical modeling projects. The most important feature for a good description of both the main breakthrough and tailing of phenanthrene is the nonuniformity of the porous medium. While spatial heterogeneity of chemical properties might be neglected without introducing a large error, an approximation of the facies' composition in terms of a uniform substitute material considerably compromises the quality of the modeling result.

  13. Lattice Boltzmann Method for Diffusion-Reaction-Transport Processes in Heterogeneous Porous Media

    Institute of Scientific and Technical Information of China (English)

    XU You-Sheng; ZHONG Yi-Jun; HUANG Guo-Xiang

    2004-01-01

    Based on the lattice Boltzmann method and general theory of fluids flowing in porous media, a numerical model is presented for the diffusion-reaction-transport (DRT) processes in porous media. As a test, we simulate a DRT process in a two-dimensional horizontal heterogeneous porous medium. The influence of gravitation in this case can be neglected, and the DRT process can be described by a strongly heterogeneous diagnostic test strip or a thin confined piece of soil with stochastically distributing property in horizontal directions. The results obtained for the relations between reduced fluid saturation S, concentration c1, and concentration c2 are shown by using the visualization computing technique. The computational efficiency and stability of the model are satisfactory.

  14. Multi-level adaptive simulation of transient two-phase flow in heterogeneous porous media

    KAUST Repository

    Chueh, C.C.

    2010-10-01

    An implicit pressure and explicit saturation (IMPES) finite element method (FEM) incorporating a multi-level shock-type adaptive refinement technique is presented and applied to investigate transient two-phase flow in porous media. Local adaptive mesh refinement is implemented seamlessly with state-of-the-art artificial diffusion stabilization allowing simulations that achieve both high resolution and high accuracy. Two benchmark problems, modelling a single crack and a random porous medium, are used to demonstrate the robustness of the method and illustrate the capabilities of the adaptive refinement technique in resolving the saturation field and the complex interaction (transport phenomena) between two fluids in heterogeneous media. © 2010 Elsevier Ltd.

  15. Coulombic interactions and multicomponent ionic dispersion during transport of charged species in heterogeneous porous media

    DEFF Research Database (Denmark)

    Muniruzzaman, Muhammad; Rolle, Massimo

    Electrochemical cross-coupling plays a significant role for transport of charged species in porous media [1, 2]. In this study we performed flow-through experiments in a quasi two-dimensional setup using dilute solutions of strong electrolytes to study the influence of charge interactions on mass...... transfer of ionic species in saturated porous media. The experiments were carried out under advection-dominated conditions (seepage velocity: 1 and 1.5 m/day) in two well-defined heterogeneous domains where flow diverging around a low-permeability inclusion and flow focusing in high-permeability zones...

  16. Influence of surface heterogeneities on reversibility of fullerene (nC60) nanoparticle attachment in saturated porous media.

    Science.gov (United States)

    Shen, Chongyang; Zhang, Mengjia; Zhang, Shuzhen; Wang, Zhan; Zhang, Hongyan; Li, Baoguo; Huang, Yuanfang

    2015-06-15

    This study systematically investigated influence of surface roughness and surface chemical heterogeneity on attachment and detachment of nC60 nanoparticles in saturated porous media by conducting laboratory column experiments. Sand and glass beads were employed as a model collectors to represent a different surface roughness. The two collectors were treated by washing with only deionized water or by using acids to extensively remove chemical heterogeneities. Results show that both attachment and detachment were more in the acid-treated sand than those in the acid-treated glass beads. The greater attachment and detachment were attributed to the reason that sand surfaces have much more nanoscale asperities, which facilitates particle attachment atop of them at primary minima and subsequent detachment upon reduction of ionic strength. No detachment was observed if the water-washed collectors were employed, demonstrating that the couple of chemical heterogeneity with nanoscale roughness causes irreversible attachment in primary minima. Whereas existing studies frequently represented surface rough asperities as regular geometries (e.g., hemisphere, cone, pillar) for estimating influence of surface roughness on Derjaguin-Landau-Verwey-Overbeek (DLVO) interaction energies, our theoretical calculations indicate that the assumptions could underestimate both attachment and detachment because these geometries cannot account for surface curvature effects.

  17. Mechano-chemical effects in weakly charged porous media.

    Science.gov (United States)

    Zholkovskij, Emiliy K; Yaroshchuk, Andriy E; Koval'chuk, Volodymyr I; Bondarenko, Mykola P

    2015-08-01

    The paper is concerned with mechano-chemical effects, namely, osmosis and pressure-driven separation of ions that can be observed when a charged porous medium is placed between two electrolyte solutions. The study is focused on porous systems with low equilibrium interfacial potentials (about 30 mV or lower). At such low potentials, osmosis and pressure-driven separation of ions noticeably manifest themselves provided that the ions in the electrolyte solutions have different diffusion coefficients. The analysis is conducted by combining the irreversible thermodynamic approach and the linearized (in terms of the normalized equilibrium interfacial potential) version of the Standard Electrokinetic Model. Osmosis and the pressure-driven separation of ions are considered for an arbitrary mixed electrolyte solution and various porous space geometries. It is shown that the effects under consideration are proportional to a geometrical factor which, for all the considered geometries of porous space, can be expressed as a function of porosity and the Λ- parameter of porous medium normalized by the Debye length. For all the studied geometries, this function turns out to be weakly dependent on both the porosity and the geometry type. The latter allows for a rough evaluation of the geometrical factor from experimental data on electric conductivity and hydraulic permeability without previous knowledge of the porous space geometry. The obtained results are used to illustrate how the composition of electrolyte solution affects the mechano-chemical effects. For various examples of electrolyte solution compositions, the obtained results are capable of describing positive, negative and anomalous osmosis, positive and negative rejection of binary electrolytes, and pressure-driven separation of binary electrolyte mixtures.

  18. Explicit Analytical Solutions of Coupled Fluid Flow Transfer Equation in Heterogeneous Porous Media

    Institute of Scientific and Technical Information of China (English)

    张娜; 蔡睿贤

    2002-01-01

    Explicit analytical solutions are presented for the coupled fluid flow transfer equation in heterogeneous porous media. These analytical solutions are useful for their description of actual flow fields and as benchmark solutions to check the rapidly developing numerical calculations and to study various computational methods such as the discrete approximations of the governing equations and grid generation methods. In addition, some novel mathematical methods are used in the analyses.

  19. Biphasic flow in a chemically active porous medium

    CERN Document Server

    Darmon, Alexandre; Salez, Thomas; Dauchot, Olivier

    2014-01-01

    We study the problem of the transformation of a given reactant species into an immiscible product species, as they flow through a chemically active porous medium. We derive the equation governing the evolution of the volume fraction of the species -- in a one-dimensional macroscopic description --, identify the relevant dimensionless numbers, and provide simple models for capillary pressure and relative permeabilities, which are quantities of crucial importance when tackling multiphase flows in porous media. We set the domain of validity of our models and discuss the importance of viscous coupling terms in the extended Darcy's law. We investigate numerically the steady regime and demonstrate that the spatial transformation rate of the species along the reactor is non-monotonous, as testified by the existence of an inflection point in the volume fraction profiles. We obtain the scaling of the location of this inflection point with the dimensionless lengths of the problem. Eventually, we provide key elements fo...

  20. Three-phase flow in heterogeneous wettability porous media; Deplacements triphasiques en milieux poreux de mouillabilite heterogene

    Energy Technology Data Exchange (ETDEWEB)

    Jaffrennou-Laroche, C.

    1998-11-26

    Better understanding and modelling of three-phase flow through porous media is of great interest, especially for improved oil recovery methods such as gas injection processes. Early theoretical and experimental studies have already demonstrated that the wettability characteristics of the solid surface and the spreading characteristics of the fluid system hold the key roles. This observation is confirmed by our theoretical results using DLP theory on the stability and the thickness of static oil films. In most of the works related to three-phase flow processes, homogeneous wettability is assumed. There exist only a few studies demonstrating the tremendous impact of the wettability heterogeneities on gas injection. The objective of the present work is twofold: to demonstrate the effect of small scale wettability heterogeneities on gas injection efficiency, and to develop a tool to predict this impact for various patterns and spatial distributions. To this end an experimental investigation in transparent glass micro-models is performed and a theoretical simulator is developed. Secondary and tertiary gas injections are performed for different heterogeneity patterns obtained by selective silane grafting. Displacement sequences are video-recorded and fluid saturations are determined by image analysis. Visualization of the displacement mechanisms provides the network model with the basic rules for water/oil and water/oil/gas motion. In water/oil displacement, drainage and imbibition occur according to the local wettability. Three-phase displacement is dominated by drainage mechanisms. The simulator allows the flow of oil through wetting films in the oil-wet regions and through spreading films on water in the water-wet regions. The effect of the wettability heterogeneities on: displacement mechanisms, sweep efficiency, and fluid distribution in three-phase gas injection is clearly demonstrated and successfully described by the network simulator. (author) 175 refs.

  1. A theoretical framework for modeling dilution enhancement of non-reactive solutes in heterogeneous porous media.

    Science.gov (United States)

    de Barros, F P J; Fiori, A; Boso, F; Bellin, A

    2015-01-01

    Spatial heterogeneity of the hydraulic properties of geological porous formations leads to erratically shaped solute clouds, thus increasing the edge area of the solute body and augmenting the dilution rate. In this study, we provide a theoretical framework to quantify dilution of a non-reactive solute within a steady state flow as affected by the spatial variability of the hydraulic conductivity. Embracing the Lagrangian concentration framework, we obtain explicit semi-analytical expressions for the dilution index as a function of the structural parameters of the random hydraulic conductivity field, under the assumptions of uniform-in-the-average flow, small injection source and weak-to-mild heterogeneity. Results show how the dilution enhancement of the solute cloud is strongly dependent on both the statistical anisotropy ratio and the heterogeneity level of the porous medium. The explicit semi-analytical solution also captures the temporal evolution of the dilution rate; for the early- and late-time limits, the proposed solution recovers previous results from the literature, while at intermediate times it reflects the increasing interplay between large-scale advection and local-scale dispersion. The performance of the theoretical framework is verified with high resolution numerical results and successfully tested against the Cape Cod field data.

  2. Application of the fractional conservation of mass to Gas Flow diffusivity equation in heterogeneous porous media

    CERN Document Server

    Caserta, A; Salusti, E

    2016-01-01

    In this paper we reconsider the classical nonlinear diffusivity equation of real gas in an heterogenous porous medium in light of the recent studies about the generalized fractional equation of conservation of mass. We first recall the physical meaning of the fractional conservation of mass recently studied by Wheatcraft and Meerschaert (2008) and then consider the implications in the classical model of diffusion of a real gas in a porous medium. Then we show that the obtained equation can be simply linearized into a classical space-fractional diffusion equation, widely studied in the literature. We also consider the case of a power-law pressure-dependence of the permeability coefficient. In this case we provide some useful exact analytical results. In particular, we are able to find a Barenblatt-type solution for a space-fractional Boussinesq equation, arising in this context.

  3. High Velocity Impact Interaction of Metal Particles with Porous Heterogeneous Materials with an Inorganic Matrix

    Science.gov (United States)

    Glazunov, A. A.; Ishchenko, A. N.; Afanasyeva, S. A.; Belov, N. N.; Burkin, V. V.; Rogaev, K. S.; Tabachenko, A. N.; Khabibulin, M. V.; Yugov, N. T.

    2016-03-01

    A computational-experimental investigation of stress-strain state and fracture of a porous heterogeneous material with an inorganic matrix, used as a thermal barrier coating of flying vehicles, under conditions of a high-velocity impact by a spherical steel projectile imitating a meteorite particle is discussed. Ballistic tests are performed at the velocities about 2.5 km/s. Numerical modeling of the high-velocity impact is described within the framework of a porous elastoplastic model including fracture and different phase states of the materials. The calculations are performed using the Euler and Lagrange numerical techniques for the velocities up to 10 km/s in a complete-space problem statement.

  4. Nanoparticle transport in heterogeneous porous media with particle tracking numerical methods

    Science.gov (United States)

    Pham, Ngoc H.; Papavassiliou, Dimitrios V.

    2017-01-01

    In this article, transport and retention of nanoparticles that flow in suspension through packed beds with unconsolidated spheres and through consolidated Berea sandstone are numerically explored. The surfaces exhibit electrical charge heterogeneity where particles can deposit blocking the surrounding surface deposition sites. The lattice Boltzmann method with Lagrangian particle tracking are the techniques employed. Four ideal patterns of surface charge heterogeneity are adopted for the packed sphere beds, while a real distribution of charge heterogeneity is determined for the Berea core through micro-CT image segmentation. It is found that particle breakthrough curves do not reach a plateau, unless the pore surfaces are completely saturated. Surface saturation also enhances particle propagation because of the surface blocking mechanism, reducing the effective particle deposition rate. In addition, surface saturation mitigates the effect of the pattern of heterogeneity on particle retention, which might be pronounced when blocking is not taken into account. It is also observed from the case of Berea core that the heterogeneity of the mineralogical surfaces disturbs particle transport depending on the physicochemical properties of the surfaces. Likewise, similarity of the mineralogical surface properties is a prerequisite for the commonly used patch-wise model with Langmuirian blocking to reproduce nanoparticle breakthrough in such porous media.

  5. Nanoparticle transport in heterogeneous porous media with particle tracking numerical methods

    Science.gov (United States)

    Pham, Ngoc H.; Papavassiliou, Dimitrios V.

    2016-08-01

    In this article, transport and retention of nanoparticles that flow in suspension through packed beds with unconsolidated spheres and through consolidated Berea sandstone are numerically explored. The surfaces exhibit electrical charge heterogeneity where particles can deposit blocking the surrounding surface deposition sites. The lattice Boltzmann method with Lagrangian particle tracking are the techniques employed. Four ideal patterns of surface charge heterogeneity are adopted for the packed sphere beds, while a real distribution of charge heterogeneity is determined for the Berea core through micro-CT image segmentation. It is found that particle breakthrough curves do not reach a plateau, unless the pore surfaces are completely saturated. Surface saturation also enhances particle propagation because of the surface blocking mechanism, reducing the effective particle deposition rate. In addition, surface saturation mitigates the effect of the pattern of heterogeneity on particle retention, which might be pronounced when blocking is not taken into account. It is also observed from the case of Berea core that the heterogeneity of the mineralogical surfaces disturbs particle transport depending on the physicochemical properties of the surfaces. Likewise, similarity of the mineralogical surface properties is a prerequisite for the commonly used patch-wise model with Langmuirian blocking to reproduce nanoparticle breakthrough in such porous media.

  6. Effect of large-scale parameters for two-phase flow in heterogeneous porous media

    Energy Technology Data Exchange (ETDEWEB)

    Girgrah, B.

    1994-01-01

    Important problems in environmental protection and resource management require quantification of parameters at field (large) scale. A numerical model is utilized to construct large-scale capillary pressure (CP) and relative permeability (RP) curves for two-phase flow in heterogeneous porous media. Two-phase flow simulations were performed over a two-dimensional, numerically generated, heterogeneous permeability field. CP and RP curves were constructed for each simulation. The fields ranged in size from 1.25x1.25 m to 5x10 m and had a mean overall log-hydraulic conductivity of [minus]4.6. Flow was vertically downward with the left and right boundaries of the domain remaining impermeable. Following the simulations on heterogeneous fields, homogeneous equivalents were determined and run for sample simulations. The heterogeneous simulations included investigations into the representative elementary volume (REV) for two permeability fields, the effects of fluid properties on CP and RP, and the effects of correlation structure. The equivalent homogeneous simulations explored the feasibility of homogeneous solutions to predict heterogeneous behavior. Results showed that the REVs for fields one and two were a domain size of 50x50 nodes. Fluid property investigations showed that CP decreased when interfacial tension decreased. Structural explorations showed vertical bedding caused an increase in both CP and RP results. A decrease in log-hydraulic conductivity variance caused slight increases in RP and CP. No direct correlation was obtained between homogeneous and heterogeneous flow behavior. A modification could be made to the homogeneous model to allow it to accurately predict heterogeneous flow. 49 refs., 28 figs., 10 tabs.

  7. Transverse mixing in three-dimensional nonstationary anisotropic heterogeneous porous media

    DEFF Research Database (Denmark)

    Cirpka, Olaf; Chiogna, Gabriele; Rolle, Massimo;

    2015-01-01

    flow and transport results obtained for a nonstationary anisotropic log-hydraulic conductivity field to an equivalent stationary field with identical mean, variance, and two-point correlation function disregarding the nonstationarity. The nonstationary anisotropic field is affected by mean secondary......Groundwater plumes originating from continuously emitting sources are typically controlled by transverse mixing between the plume and reactants in the ambient solution. In two-dimensional domains, heterogeneity causes only weak enhancement of transverse mixing in steady-state flows. In three......-dimensional domains, more complex flow patterns are possible because streamlines can twist. In particular, spatially varying orientation of anisotropy can cause steady-state groundwater whirls. We analyze steady-state solute transport in three-dimensional locally isotropic heterogeneous porous media with blockwise...

  8. Simulation of multi-scale heterogeneity of porous media and parameter sensitivity analysis

    Institute of Scientific and Technical Information of China (English)

    ZHANG; Yong; (张; 勇); G.E.; Fogg

    2003-01-01

    Because of the inherent multi-scale heterogeneity of porous media and the limitation of single-subject observed data, we propose to combine deterministic and stochastic techniques to simulate heterogeneity. We select a coastal plain sediment system as an example to demonstrate and verify this approach. Firstly, we apply transition probability matrix to determine and delineate the nonstationary unconformity, and combine hydro-stratigraphy analyses to establish the field/large-scale, deterministic stratigraphy model. Secondly, we apply fence diagrams and CPT data to infer the horizontal mean length of hydrofacies, and then build Markov chain models for each depositional system and simulate the local/intermediate-scale, stochastic hydrofacies model. Finally, we combine the stratigraphy and hydrofacies models to get a multi-scale heterogeneous model embedded with quantitative and qualitative observed data, with both deterministic and stochastic characteristics. In order to study the influence of uncertainty in model parameters on solute transport, we build multiple realizations of two types of heterogeneous model and use them to simulate groundwater flow and solute transport. The parameter sensitivity analysis shows the 1st and 2nd spatial moments of the contaminant plume increase with the lateral average length of hydrofacies.

  9. Study on Two-Phase Flow in Heterogeneous Porous Media by Light Transmission Method

    Science.gov (United States)

    Qiao, W.

    2015-12-01

    The non-aqueous phase liquid (NAPL) released to the subsurface can form residual ganglia and globules occupying pores and also accumulate and form pools, in which multiphase system forms. Determining transient fluid saturations in a multiphase system is essential to understand the flow characteristics of systems and to perform effective remediation strategies. As a non-destructive and non-invasive laboratory technique utilized for the measurement of liquid saturation in porous media, light transmission is of the lowest cost and safe. Utilization of Coupled Charge Device camera in light transmission systems provides a nearly instantaneous high-density array of spatial measurements over a very large dynamic range. The migration of NAPL and air spariging technique applied to remove NAPL in aquifer systems are typically two-phase flow problem. Because of the natural aquifer normally being heterogeneous, two 2-D sandboxes (Length55cm×width1.3cm×hight45cm) are set up to study the migration of gas and DNAPL in heterogeneous porous media based on light transmission method and its application in two-phase flow. Model D for water/gas system developed by Niemet and Selker (2001) and Model NW-A for water/NAPL system developed by Zhang et al. (2014) are applied for the calculation of fluid saturation in the two experiments, respectively. The gas injection experiments show that the gas moves upward in the irregular channels, piling up beneath the low permeability lenses and starting lateral movement. Bypassing the lenses, the gas moves upward and forms continuous distribution in the top of the sandbox. The faster of gas injects, the wider of gas migration will be. The DNAPL infiltration experiment shows that TCE mainly moves downward as the influence of gravity, stopping vertical infiltration when reaching the low permeability lenses because of its failure to overcome the capillary pressure. Then, TCE accumulates on the surface and starts transverse movement. Bypassing the

  10. Distribution and Recovery of Crude Oil in Various Types of Porous Media and Heterogeneity Configurations

    Science.gov (United States)

    Tick, G. R.; Ghosh, J.; Greenberg, R. R.; Akyol, N. H.

    2015-12-01

    A series of pore-scale experiments were conducted to understand the interfacial processes contributing to the removal of crude oil from various porous media during surfactant-induced remediation. Effects of physical heterogeneity (i.e. media uniformity) and carbonate soil content on oil recovery and distribution were evaluated through pore scale quantification techniques. Additionally, experiments were conducted to evaluate impacts of tetrachloroethene (PCE) content on crude oil distribution and recovery under these same conditions. Synchrotron X-ray microtomography (SXM) was used to obtain high-resolution images of the two-fluid-phase oil/water system, and quantify temporal changes in oil blob distribution, blob morphology, and blob surface area before and after sequential surfactant flooding events. The reduction of interfacial tension in conjunction with the sufficient increase in viscous forces as a result of surfactant flushing was likely responsible for mobilization and recovery of lighter fractions of crude oil. Corresponding increases in viscous forces were insufficient to initiate and maintain the displacement of the heavy crude oil in more homogeneous porous media systems during surfactant flushing. Interestingly, higher relative recoveries of heavy oil fractions were observed within more heterogeneous porous media indicating that wettability may be responsible for controlling mobilization in these systems. Compared to the "pure" crude oil experiments, preliminary results show that crude oil with PCE produced variability in oil distribution and recovery before and after each surfactant-flooding event. Such effects were likely influenced by viscosity and interfacial tension modifications associated with the crude-oil/solvent mixed systems.

  11. Porous flow of liquid water in Enceladus rock core driven by heterogeneous tidal heating

    Science.gov (United States)

    Choblet, Gael; Tobie, Gabriel; Behounkova, Marie; Cadek, Ondrej

    2016-10-01

    Surface heat flux estimates in excess of 15 GW (e.g. Howett et al., 2016) raise the question of the origin of Enceladus' heat production. While strong heating by tidal dissipation is probably the only viable source, whether the maximum production occurs in the outer ice shell or, deeper, in the ocean or in the rock core, is however unclear. While the analysis of measurements by the Cassini mission (gravity and topography data, observed libration), seems to favor an extremely thin shell at Enceladus South Pole (a few kms only, cf. Thomas et al., 2016, Cadek et al., 2016), the distribution of heat sources remains a major issue in the light of the evolutionary trend that led to this present-day physical state of the moon.Here, we build up on a recent evaluation of tidal deformation in a porous rock core saturated with liquid water indicating that, owing to its unconsolidated state, plausible core rheologies could lead to significant heat production there (typically 20 GW, Tobie et al., in prep.). We describe porous flow in a 3D spherical model following the work of Travis and Schubert (2015). Compaction of the rock matrix is neglected. Water characteristics (density and viscosity), and the bulk thermal conductivity of the porous core are temperature-dependent and the effect of non-water compounds can be considered. Tidal heating is introduced as a heterogeneous heat source with a pattern inferred from numerical models of the tidal response. Our analysis focuses particularly on the heat flux pattern at the ocean/core interface where water is advected in/out of the porous medium.

  12. Experiments on front roughness and averaged saturation for immiscible displacement in heterogeneous porous media

    Science.gov (United States)

    Heiss, V.; Neuweiler, I.; Faerber, A.

    2009-04-01

    For mass transfer during two-phase two-component flow processes in heterogeneous porous media, the fluid-fluid interface of the two-phases have a strong influence. To predict mass transfer it is therefore important to determine the interface properties. An important characterization criterion for displacement of one fluid by another, immiscible one in porous media, is the morphology of the fluid-fluid interface. The interface morphology is investigated intensely since a long time. It is determined by the interplay between capillary, gravity and viscous forces and by the structure of the pore space. The interface morphology influences the modeling of a displacement process on the Darcy scale, where the pore scale is no longer resolved. However, the interface criteria on the pore scale cannot necessarily be transferred to the larger scale. This is in particular true in heterogeneous media, where the structure of material interfaces on the large scale may determine the flow process. Immiscible displacement fronts on a Darcy scale are often sharp and may show instabilities on the larger scale. Pore scale instabilities, on the other hand, may appear as stabilized on the large scale due to large scale structures. We will present observations of displacement fronts in Darcy scale heterogeneous media, where fluid content was measured using optical methods. The front properties were analyzed for different flow regimes and structures. The growth rate of the front roughness shows a different behavior than the spatially averaged fluid content. While the front is in most cases stable after some time, the width of the distribution of the averaged fluid content continues to grow due to pore-scale and macroscopic trapping events.

  13. Chemical surface modification of porous silicon with palladium and characterizations

    Energy Technology Data Exchange (ETDEWEB)

    Kanungo, J.; Maji, S.; Saha, H. [IC Design and Fabrication Centre, Department of Electronics and Telecommunication Engineering, Jadavpur University, Kolkata 700032 (India); Basu, S., E-mail: sukumar_basu@yahoo.co.u [IC Design and Fabrication Centre, Department of Electronics and Telecommunication Engineering, Jadavpur University, Kolkata 700032 (India)

    2010-03-15

    Porous silicon (PS) was formed on p-type crystalline silicon of (1 0 0) orientation and 2-5 OMEGA cm resistivity by the electrochemical anodization method using HF and ethanol as the electrolyte. Adjusting the current density and the HF concentration in the electrolyte the porosity of the samples were varied from 40% to 60%. The porous silicon surface was modified with PdCl{sub 2} solution by a low cost chemical method. Both the unmodified and the modified PS were thoroughly characterized by the EDAX analysis, the digital X-ray image mapping and the XPS study. Electrical characteristics were performed by the I-V measurements for both the lateral and the sandwich structures using Al metal contact. The I-V characteristics of the modified PS for all the porosity were more reproducible compared to the unmodified PS surfaces. It was further observed that the conductivity increased with the increasing porosity for the Pd-modified surfaces whereas it decreased for the unmodified PS.

  14. Exposure-time based modeling of nonlinear reactive transport in porous media subject to physical and geochemical heterogeneity.

    Science.gov (United States)

    Sanz-Prat, Alicia; Lu, Chuanhe; Amos, Richard T; Finkel, Michael; Blowes, David W; Cirpka, Olaf A

    2016-09-01

    Transport of reactive solutes in groundwater is affected by physical and chemical heterogeneity of the porous medium, leading to complex spatio-temporal patterns of concentrations and reaction rates. For certain cases of bioreactive transport, it could be shown that the concentrations of reactive constituents in multi-dimensional domains are approximately aligned with isochrones, that is, lines of identical travel time, provided that the chemical properties of the matrix are uniform. We extend this concept to combined physical and chemical heterogeneity by additionally considering the time that a water parcel has been exposed to reactive materials, the so-called exposure time. We simulate bioreactive transport in a one-dimensional domain as function of time and exposure time, rather than space. Subsequently, we map the concentrations to multi-dimensional heterogeneous domains by means of the mean exposure time at each location in the multi-dimensional domain. Differences in travel and exposure time at a given location are accounted for as time difference. This approximation simplifies reactive-transport simulations significantly under conditions of steady-state flow when reactions are restricted to specific locations. It is not expected to be exact in realistic applications because the underlying assumption, such as neglecting transverse mixing altogether, may not hold. We quantify the error introduced by the approximation for the hypothetical case of a two-dimensional, binary aquifer made of highly-permeable, non-reactive and low-permeable, reactive materials releasing dissolved organic matter acting as electron donor for aerobic respiration and denitrification. The kinetically controlled reactions are catalyzed by two non-competitive bacteria populations, enabling microbial growth. Even though the initial biomass concentrations were uniform, the interplay between transport, non-uniform electron-donor supply, and bio-reactions led to distinct spatial patterns of

  15. Exposure-time based modeling of nonlinear reactive transport in porous media subject to physical and geochemical heterogeneity

    Science.gov (United States)

    Sanz-Prat, Alicia; Lu, Chuanhe; Amos, Richard T.; Finkel, Michael; Blowes, David W.; Cirpka, Olaf A.

    2016-09-01

    Transport of reactive solutes in groundwater is affected by physical and chemical heterogeneity of the porous medium, leading to complex spatio-temporal patterns of concentrations and reaction rates. For certain cases of bioreactive transport, it could be shown that the concentrations of reactive constituents in multi-dimensional domains are approximately aligned with isochrones, that is, lines of identical travel time, provided that the chemical properties of the matrix are uniform. We extend this concept to combined physical and chemical heterogeneity by additionally considering the time that a water parcel has been exposed to reactive materials, the so-called exposure time. We simulate bioreactive transport in a one-dimensional domain as function of time and exposure time, rather than space. Subsequently, we map the concentrations to multi-dimensional heterogeneous domains by means of the mean exposure time at each location in the multi-dimensional domain. Differences in travel and exposure time at a given location are accounted for as time difference. This approximation simplifies reactive-transport simulations significantly under conditions of steady-state flow when reactions are restricted to specific locations. It is not expected to be exact in realistic applications because the underlying assumption, such as neglecting transverse mixing altogether, may not hold. We quantify the error introduced by the approximation for the hypothetical case of a two-dimensional, binary aquifer made of highly-permeable, non-reactive and low-permeable, reactive materials releasing dissolved organic matter acting as electron donor for aerobic respiration and denitrification. The kinetically controlled reactions are catalyzed by two non-competitive bacteria populations, enabling microbial growth. Even though the initial biomass concentrations were uniform, the interplay between transport, non-uniform electron-donor supply, and bio-reactions led to distinct spatial patterns of

  16. Droplet condensation on chemically homogeneous and heterogeneous surfaces

    Science.gov (United States)

    Ashrafi, Amir; Moosavi, Ali

    2016-09-01

    Nucleation and growth of condensing droplets on horizontal surfaces are investigated via a 2-D double distribution function thermal lattice Boltzmann method. First, condensation on completely uniform surface is investigated and different mechanisms which cause dropwise and filmwise condensation are studied. The results reveal the presence of cooled vapor layer instability in the condensation on completely smooth surfaces. In the second step, condensation on chemically heterogeneous surfaces is investigated. Moreover, the effect of non-uniformity in the surface temperature is also studied. The results indicate that the vapor layer instability and the nucleation start from the heterogeneities. The effects of different numbers of heterogeneities, their distance, and hydrophobicity on the condensation are also inspected. It is shown that by increasing the hydrophobicity of the heterogeneities and considering an optimum space between the heterogeneities, maximum condensation performance can be achieved. Finally, condensation on wettability gradient surfaces is studied and the effects of the gradient form and contact angle of the core region on the condensation are studied. It is shown that hydrophobicity of the core region plays a key role in increasing the condensation performance. A heat transfer analysis and flow dynamics of dropwise condensation as a function of time is also presented and it is shown that the results are in good agreements with the previous theoretical and experimental results.

  17. Multiscale Lattice Boltzmann method for flow simulations in highly heterogenous porous media

    KAUST Repository

    Li, Jun

    2013-01-01

    A lattice Boltzmann method (LBM) for flow simulations in highly heterogeneous porous media at both pore and Darcy scales is proposed in the paper. In the pore scale simulations, flow of two phases (e.g., oil and gas) or two immiscible fluids (e.g., water and oil) are modeled using cohesive or repulsive forces, respectively. The relative permeability can be computed using pore-scale simulations and seamlessly applied for intermediate and Darcy-scale simulations. A multiscale LBM that can reduce the computational complexity of existing LBM and transfer the information between different scales is implemented. The results of coarse-grid, reduced-order, simulations agree very well with the averaged results obtained using fine grid.

  18. Upscaling conductivity and porosity in three-dimensional heterogeneous porous media

    Institute of Scientific and Technical Information of China (English)

    ZHANG Yong

    2004-01-01

    An empirical formula is presented to upscale the conductivity of 3-dimensional heterogeneous porous media, in which the distribution of local-scale conductivity is non-Gaussian with a high variance. The upscaled conductivity is determined as a function of the volumetric proportion, the spatial connectivity and the statistical geometric length of high-permeable inclusions, and the arithmetic mean of conductivities of all hydrofacies. A systematic comparison to other traditional upscaling methods indicates that this empirical formula provides a better estimation of the equivalent conductivity. In the second part of this study, numerical experiments of solute migration reveal that porosity also needs to be upscaled to capture the transport of contaminants in a heterogeneous medium using an effective or upscaled homogeneous medium. This is due to the tendency of contaminants to be preferrentially transported by 3-dimensional pathways composed of high-permeable materials in heterogeneous aquifer systems. The apparent difference between the actual transport velocity of contaminants and the upscaled velocity, based on the equivalent conductivity, forces upscaling of porosity. Further systematic analyses demonstrate that the upscaled porosity follows a non-linear trend as the content of high-permeable sediments decreases. Resultant upscaled porosity, with values varying between 0.004 and 1.5, is beyond the definition of the traditional porosity on the representative elementary volume (REV) scale. When the content of high-permeable materials is less than 30%, the upscaling of porosity is critical in the simulation of the contaminant transport in a heterogeneous medium using an upscaled, homogeneous counterpart.

  19. Global-local nonlinear model reduction for flows in heterogeneous porous media

    KAUST Repository

    AlOtaibi, Manal

    2015-08-01

    In this paper, we combine discrete empirical interpolation techniques, global mode decomposition methods, and local multiscale methods, such as the Generalized Multiscale Finite Element Method (GMsFEM), to reduce the computational complexity associated with nonlinear flows in highly-heterogeneous porous media. To solve the nonlinear governing equations, we employ the GMsFEM to represent the solution on a coarse grid with multiscale basis functions and apply proper orthogonal decomposition on a coarse grid. Computing the GMsFEM solution involves calculating the residual and the Jacobian on a fine grid. As such, we use local and global empirical interpolation concepts to circumvent performing these computations on the fine grid. The resulting reduced-order approach significantly reduces the flow problem size while accurately capturing the behavior of fully-resolved solutions. We consider several numerical examples of nonlinear multiscale partial differential equations that are numerically integrated using fully-implicit time marching schemes to demonstrate the capability of the proposed model reduction approach to speed up simulations of nonlinear flows in high-contrast porous media.

  20. Wave propagation in a strongly heterogeneous elastic porous medium: Homogenization of Biot medium with double porosities

    Science.gov (United States)

    Rohan, Eduard; Naili, Salah; Nguyen, Vu-Hieu

    2016-08-01

    We study wave propagation in an elastic porous medium saturated with a compressible Newtonian fluid. The porous network is interconnected whereby the pores are characterized by two very different characteristic sizes. At the mesoscopic scale, the medium is described using the Biot model, characterized by a high contrast in the hydraulic permeability and anisotropic elasticity, whereas the contrast in the Biot coupling coefficient is only moderate. Fluid motion is governed by the Darcy flow model extended by inertia terms and by the mass conservation equation. The homogenization method based on the asymptotic analysis is used to obtain a macroscopic model. To respect the high contrast in the material properties, they are scaled by the small parameter, which is involved in the asymptotic analysis and characterized by the size of the heterogeneities. Using the estimates of wavelengths in the double-porosity networks, it is shown that the macroscopic descriptions depend on the contrast in the static permeability associated with pores and micropores and on the frequency. Moreover, the microflow in the double porosity is responsible for fading memory effects via the macroscopic poroviscoelastic constitutive law. xml:lang="fr"

  1. An Eulerian joint velocity-concentration PDF method for solute dispersion in highly heterogeneous porous media

    Science.gov (United States)

    Meyer, Daniel W.; Tchelepi, Hamdi A.; Jenny, Patrick

    2010-05-01

    In risk analysis applications involving heterogeneous formations, the knowledge of the solute concentration probability density function (PDF) at different spatial locations and times is crucial. We propose a new joint velocity-concentration PDF method applicable for highly heterogeneous porous media that accounts for advective transport, pore-scale dispersion and molecular diffusion. Unlike in low order approximation (LOA) methods that are valid for low conductivity variances ?Y 2 and where the one-point velocity PDF is typically assumed to be a Gaussian, the proposed joint PDF method honors the increasingly non-Gaussian velocity one-point PDF and the long-term velocity correlations that were reported in different Monte Carlo (MC) studies for ?Y 2 > 0.5 [e.g., Salandin, P. and V. Fiorotto, WRR, 1998. 34(5) and Trefry, M.G., F.P. Ruan, and D. McLaughlin, WRR, 2003. 39(3)]. Furthermore, the new joint PDF method does not involve any a-priori assumption about the shape of the resulting marginal concentration PDF. LOA methods that provide information on the concentration mean and variance [Fiori, A. and G. Dagan, Journal of Contaminant Hydrology, 2000. 45(1-2)] on the other hand are typically complemented by assuming that the concentration PDF has a β-PDF shape [Bellin, A. and D. Tonina, Journal of Contaminant Hydrology, 2007. 94(1-2)]. The Eulerian joint velocity-concentration PDF transport equation in our model is numerically solved with a computationally efficient particle method. The suggested joint PDF method is validated by comparison with MC data reported by Caroni and Fiorotto for Péclet numbers ranging from 10 to 104 and ?Y 2 = 1 and 2 [Caroni, E. and V. Fiorotto, Transport in Porous Media, 2005. 59(1)].

  2. Algebraic multiscale method for flow in heterogeneous porous media with embedded discrete fractures (F-AMS)

    Science.gov (United States)

    Ţene, Matei; Al Kobaisi, Mohammed Saad; Hajibeygi, Hadi

    2016-09-01

    This paper introduces an Algebraic MultiScale method for simulation of flow in heterogeneous porous media with embedded discrete Fractures (F-AMS). First, multiscale coarse grids are independently constructed for both porous matrix and fracture networks. Then, a map between coarse- and fine-scale is obtained by algebraically computing basis functions with local support. In order to extend the localization assumption to the fractured media, four types of basis functions are investigated: (1) Decoupled-AMS, in which the two media are completely decoupled, (2) Frac-AMS and (3) Rock-AMS, which take into account only one-way transmissibilities, and (4) Coupled-AMS, in which the matrix and fracture interpolators are fully coupled. In order to ensure scalability, the F-AMS framework permits full flexibility in terms of the resolution of the fracture coarse grids. Numerical results are presented for two- and three-dimensional heterogeneous test cases. During these experiments, the performance of F-AMS, paired with ILU(0) as second-stage smoother in a convergent iterative procedure, is studied by monitoring CPU times and convergence rates. Finally, in order to investigate the scalability of the method, an extensive benchmark study is conducted, where a commercial algebraic multigrid solver is used as reference. The results show that, given an appropriate coarsening strategy, F-AMS is insensitive to severe fracture and matrix conductivity contrasts, as well as the length of the fracture networks. Its unique feature is that a fine-scale mass conservative flux field can be reconstructed after any iteration, providing efficient approximate solutions in time-dependent simulations.

  3. Chemical stabilization of porous silicon for enhanced biofunctionalization with immunoglobulin

    Directory of Open Access Journals (Sweden)

    Nelson Naveas, Vicente Torres Costa, Dario Gallach, Jacobo Hernandez-Montelongo, Raul Jose Martín Palma, Josefa Predenstinacion Garcia-Ruiz and Miguel Manso-Silván

    2012-01-01

    Full Text Available Porous silicon (PSi is widely used in biological experiments, owing to its biocompatibility and well-established fabrication methods that allow tailoring its surface. Nevertheless, there are some unresolved issues such as deciding whether the stabilization of PSi is necessary for its biological applications and evaluating the effects of PSi stabilization on the surface biofunctionalization with proteins. In this work we demonstrate that non-stabilized PSi is prone to detachment owing to the stress induced upon biomolecular adsorption. Biofunctionalized non-stabilized PSi loses the interference properties characteristic of a thin film, and groove-like structures resulting from a final layer collapse were observed by scanning electron microscopy. Likewise, direct PSi derivatization with 3-aminopropyl-triethoxysilane (APTS does not stabilize PSi against immunoglobulin biofunctionalization. To overcome this problem, we developed a simple chemical process of stabilizing PSi (CoxPSi for biological applications, which has several advantages over thermal stabilization (ToxPSi. The process consists of chemical oxidation in H2O2, surface derivatization with APTS and a curing step at 120 °C. This process offers integral homogeneous PSi morphology, hydrophilic surface termination (contact angle θ = 26° and highly efficient derivatized and biofunctionalized PSi surfaces (six times more efficient than ToxPSi. All these features are highly desirable for biological applications, such as biosensing, where our results can be used for the design and optimization of the biomolecular immobilization cascade on PSi surfaces.

  4. A joint velocity-concentration PDF method for tracer flow in heterogeneous porous media

    Science.gov (United States)

    Meyer, Daniel W.; Jenny, Patrick; Tchelepi, Hamdi A.

    2010-12-01

    The probability density function (PDF) of the local concentration of a contaminant, or tracer, is an important component of risk assessment in applications that involve flow in heterogeneous subsurface formations. In this paper, a novel joint velocity-concentration PDF method for tracer flow in highly heterogeneous porous media is introduced. The PDF formalism accounts for advective transport, pore-scale dispersion (PSD), and molecular diffusion. Low-order approximations (LOAs), which are usually obtained using a perturbation expansion, typically lead to Gaussian one-point velocity PDFs. Moreover, LOAs provide reasonable approximations for small log conductivity variances (i.e., σY2 Caroni and Fiorotto (2005) for saturated transport in velocity fields, which are stationary in space and time, for domains with σY2 = 0.05, 1, and 2 and Péclet numbers ranging from 100 to 10,000. PSD is modeled using constant anisotropic dispersion coefficients in both the reference MC computations and our PDF method.

  5. Flow Kinematics and Lagrangian Mixing Dynamics in a Darcy Scale Heterogeneous Porous Medium

    Science.gov (United States)

    Dentz, M.; de Barros, F.; Le Borgne, T.

    2013-12-01

    We study the mixing behavior of a solute blob that is transported through a two-dimensional Darcy scale heterogeneous porous medium. Flow heterogeneity is induced by spatial variability in hydraulic conductivity. The fundamental mechanism governing the evolution of the solute blob are the competition of the stretching and compression action within a fluid element, and diffusion. We formulate the transport problem in a Lagrangian framework and consider the motion of solute particles that form the blob, in the coordinate system attached to the fluid element on which it originates. The blob evolution is fully characterized by the time series of stretching and shear rates of the material segment in its own coordinate system. Associated stirring protocols, or spreading protocols may be different from the ones encountered in chaotic and turbulent flow and can be related to the evolution of center of mass velocities of an ensemble of solute blobs. The permeability variability is modeled using a stochastic approach, which renders the stretching and shear rate time series as stochastic processes. Theses stochastic series are investigated numerically using random walk particle tracking simulations, and quantified analytically in terms of multiplicative and additive stochastic processes for the strip elongation and shear deformation. In this stochastic framework, we study the ensemble concentration PDF, concentration entropy and scalar dissipation rate. We relate the mixing properties to the appearance of coherent structures as quantified by the Okubo-Weiss measure and its Lagrangian counterpart.

  6. Modeling tracer transport in randomly heterogeneous porous media by nonlocal moment equations: Anomalous transport

    Science.gov (United States)

    Morales-Casique, E.; Lezama-Campos, J. L.; Guadagnini, A.; Neuman, S. P.

    2013-05-01

    Modeling tracer transport in geologic porous media suffers from the corrupt characterization of the spatial distribution of hydrogeologic properties of the system and the incomplete knowledge of processes governing transport at multiple scales. Representations of transport dynamics based on a Fickian model of the kind considered in the advection-dispersion equation (ADE) fail to capture (a) the temporal variation associated with the rate of spreading of a tracer, and (b) the distribution of early and late arrival times which are often observed in field and/or laboratory scenarios and are considered as the signature of anomalous transport. Elsewhere we have presented exact stochastic moment equations to model tracer transport in randomly heterogeneous aquifers. We have also developed a closure scheme which enables one to provide numerical solutions of such moment equations at different orders of approximations. The resulting (ensemble) average and variance of concentration fields were found to display a good agreement against Monte Carlo - based simulation results for mildly heterogeneous (or well-conditioned strongly heterogeneous) media. Here we explore the ability of the moment equations approach to describe the distribution of early arrival times and late time tailing effects which can be observed in Monte-Carlo based breakthrough curves (BTCs) of the (ensemble) mean concentration. We show that BTCs of mean resident concentration calculated at a fixed space location through higher-order approximations of moment equations display long tailing features of the kind which is typically associated with anomalous transport behavior and are not represented by an ADE model with constant dispersive parameter, such as the zero-order approximation.

  7. Value-added Chemicals from Biomass by Heterogeneous Catalysis

    DEFF Research Database (Denmark)

    Voss, Bodil

    In the contemporary debate on resource utilisation, biomass has been discussed as an alternative carbon source to fossil reserves in order to reduce the emission of CO2 to the atmosphere. The replacement or supplement of oil based transportation fuels through biomass based conversions has already...... been implemented. The subject on chemical production has received less attention. This thesis describes and evaluates the quest for an alternative conversion route, based on a biomass feedstock and employing a heterogeneous catalyst capable of converting the feedstock, to a value-added chemical...... obtained for such a process and the hypothesis that process feasibility in comparison with the conventional synthesis gas based technologies may further be attainable, taking advantage of the conservation of chemical C-C bonds in biomass based feedstocks. With ethanol as one example of a biomass based...

  8. Chemically modified and nanostructured porous silicon as a drug delivery material and device

    Science.gov (United States)

    Anglin, Emily Jessica

    This thesis describes the fabrication, chemical modification, drug release, and toxicity studies of nanostructured porous silicon for the purposes of developing a smart drug delivery device. The first chapter is an introductory chapter, presenting the chemical and physical properties of porous silicon, the concepts and issues of current drug delivery devices and materials, and how porous silicon can address the issues regarding localized and controlled drug therapies. The second chapter discusses chemical modifications of nanostructured porous Si for stabilizing the material in biologically relevant media while providing an extended release of a therapeutic in vitro. This chapter also demonstrates the utility of the porous silicon optical signatures for effectively monitoring drug release from the system and its applications for development of a self-reporting drug delivery device. In chapter three, the concept of providing a triggered release of a therapeutic from porous silicon microparticles through initiation by an external stimulus is demonstrated. The microparticles are chemically modified, and the release is enhanced by a short application of ultrasound to the particulate system. The effect of ultrasound on the drug release and particle size is discussed. Chapter four presents a new method for sustaining the release of a monoclonal antibody from the porous matrix of porous SiO2. The therapeutic is incorporated into the films through electrostatic adsorption and a slow release is observed in vitro. A new method of quantifying the extent of drug loading is monitored with interferometry. The last chapter of the thesis provides a basic in vivo toxicity study of various porous Si microparticles for intraocular applications. Three types of porous Si particles are fabricated and studied in a rabbit eye model. The toxicity studies were conducted by collaborators at the Shiley Eye Center, La Jolla, CA. This work, demonstrates the feasibility of developing a self

  9. A global method for coupling transport with chemistry in heterogeneous porous media

    CERN Document Server

    Laila, Amir; 10.1007/s10596-009-9162-x

    2009-01-01

    Modeling reactive transport in porous media, using a local chemical equilibrium assumption, leads to a system of advection-diffusion PDE's coupled with algebraic equations. When solving this coupled system, the algebraic equations have to be solved at each grid point for each chemical species and at each time step. This leads to a coupled non-linear system. In this paper a global solution approach that enables to keep the software codes for transport and chemistry distinct is proposed. The method applies the Newton-Krylov framework to the formulation for reactive transport used in operator splitting. The method is formulated in terms of total mobile and total fixed concentrations and uses the chemical solver as a black box, as it only requires that on be able to solve chemical equilibrium problems (and compute derivatives), without having to know the solution method. An additional advantage of the Newton-Krylov method is that the Jacobian is only needed as an operator in a Jacobian matrix times vector product...

  10. Pore-Scale Heterogeneity in the Mineral Distribution and Reactive Surface Area of Porous Rocks

    Science.gov (United States)

    Lai, P. E. P.; Krevor, S. C.

    2015-12-01

    The reactive surface area is an important control on interfacial processes between minerals and aqueous fluids in porous rocks. Spatial heterogeneity in the surface area can lead to complications in modelling reactive transport processes, but quantitative characterisation of this property has been limited. In this paper 3D images obtained using x-ray micro-tomography were used to characterise heterogeneity in surface area in one sandstone and five carbonate rocks. Measurements of average surface area from x-ray imagery were 1-2 orders of magnitude lower than measurements from nitrogen BET. A roughness factor, defined as the ratio of BET surface area to x-ray based surface area, was correlated to the presence of clay or microporosity. Coregistered images of Berea sandstone from x-ray and energy dispersive spectroscopy imagery were used to guide the identification of quartz, K-feldspar, dolomite, calcite and clays in x-ray images. In Berea sandstone, clay and K-feldspar had higher average surface area fractions than their volumetric fractions in the rock. In the Edwards carbonate, however, modal mineral composition correlated with surface area. By sub-sampling digital images, statistical distributions of the surface area were generated at various length scales of subsampling. Comparing these to distributions used in published modelling studies showed that the common practice of leaving surface area and pore volume uncorrelated in a pore leads to unrealistic combinations of surface area and pore volume in the models. We suggest these models adopt a moderate correlation based on observations. In Berea sandstone, constraining ratios of surface area to pore volume to a range of values between that of quartz-lined and five times that of clay-lined spheres appeared sufficient.

  11. Chemical heterogeneities in the interior of terrestrial bodies

    Science.gov (United States)

    Plesa, Ana-Catalina; Maurice, Maxime; Tosi, Nicola; Breuer, Doris

    2016-04-01

    Mantle chemical heterogeneities that can strongly influence the interior dynamics have been inferred for all terrestrial bodies of the Solar System and range from local to global scale. Seismic data for the Earth, differences in surface mineral compositions observed in data sets from space missions, and isotopic variations identified in laboratory analyses of meteorites or samples indicate chemically heterogeneous systems. One way to generate large scale geochemical heterogeneities is through the fractional crystallization of a liquid magma ocean. The large amount of energy available in the early stages of planetary evolution can cause melting of a significant part or perhaps even the entire mantle of a terrestrial body resulting in a liquid magma ocean. Assuming fractional crystallization, magma ocean solidification proceeds from the core-mantle boundary to the surface where dense cumulates tend to form due to iron enrichment in the evolving liquid. This process leads to a gravitationally unstable mantle, which is prone to overturn. Following cumulate overturn, a stable stratification may be reached that prevents efficient material transport. As a consequence, mantle reservoirs may be kept separate, possibly for the entire thermo-chemical evolution of a terrestrial body. Scenarios assuming fractional crystallization of a liquid magma ocean have been suggested to explain lavas with distinct composition on Mercury's surface [1], the generation of the Moon's mare basalts by sampling a reservoir consisting of overturned ilmenite-bearing cumulates [2], and the preservation of Mars' geochemical reservoirs as inferred by isotopic analysis of the SNC meteorites [3]. However, recent studies have shown that the style of the overturn as well as the subsequent density stratification are of extreme importance for the subsequent thermo-chemical evolution of a planetary body and may have a major impact on the later surface tectonics and volcanic history. The rapid formation of a

  12. An adaptive multiscale finite element method for unsaturated flow problems in heterogeneous porous media

    Science.gov (United States)

    He, Xinguang; Ren, Li

    2009-07-01

    SummaryIn this paper we present an adaptive multiscale finite element method for solving the unsaturated water flow problems in heterogeneous porous media spanning over many scales. The main purpose is to design a numerical method which is capable of adaptively capturing the large-scale behavior of the solution on a coarse-scale mesh without resolving all the small-scale details at each time step. This is accomplished by constructing the multiscale base functions that are adapted to the time change of the unsaturated hydraulic conductivity field. The key idea of our method is to use a criterion based on the temporal variation of the hydraulic conductivity field to determine when and where to update our multiscale base functions. As a consequence, these base functions are able to dynamically account for the spatio-temporal variability in the equation coefficients. We described the principle for constructing such a method in detail and gave an algorithm for implementing it. Numerical experiments were carried out for the unsaturated water flow equation with randomly generated lognormal hydraulic parameters to demonstrate the efficiency and accuracy of the proposed method. The results show that throughout the adaptive simulation, only a very small fraction of the multiscale base functions needs to be recomputed, and the level of accuracy of the adaptive method is higher than that of the multiscale finite element technique in which the base functions are not updated with the time change of the hydraulic conductivity.

  13. Complexity reduction of multi-phase flows in heterogeneous porous media

    KAUST Repository

    Ghommem, Mehdi

    2013-01-01

    In this paper, we apply mode decomposition and interpolatory projection methods to speed up simulations of two-phase flows in highly heterogeneous porous media. We propose intrusive and non-intrusive model reduction approaches that enable a significant reduction in the dimension of the flow problem size while capturing the behavior of the fully-resolved solutions. In one approach, we employ the dynamic mode decomposition (DMD) and the discrete empirical interpolation method (DEIM). This approach does not require any modification of the reservoir simulation code but rather postprocesses a set of global snapshots to identify the dynamically-relevant structures associated with the flow behavior. In a second approach, we project the governing equations of the velocity and the pressure fields on the subspace spanned by their proper orthogonal decomposition (POD) modes. Furthermore, we use DEIM to approximate the mobility related term in the global system assembly and then reduce the online computational cost and make it independent of the fine grid. To show the effectiveness and usefulness of the aforementioned approaches, we consider the SPE 10 benchmark permeability field and present a variety of numerical examples of two-phase flow and transport. The proposed model reduction methods can be efficiently used when performing uncertainty quantification or optimization studies and history matching.

  14. Infrared thermography of evaporative fluxes and dynamics of salt deposition on heterogeneous porous surfaces

    Science.gov (United States)

    Nachshon, Uri; Shahraeeni, Ebrahim; Or, Dani; Dragila, Maria; Weisbrod, Noam

    2011-12-01

    Evaporation of saline solutions from porous media, common in arid areas, involves complex interactions between mass transport, energy exchange and phase transitions. We quantified evaporation of saline solutions from heterogeneous sand columns under constant hydraulic boundary conditions to focus on effects of salt precipitation on evaporation dynamics. Mass loss measurements and infrared thermography were used to quantify evaporation rates. The latter method enables quantification of spatial and temporal variability of salt precipitation to identify its dynamic effects on evaporation. Evaporation from columns filled with texturally-contrasting sand using different salt solutions revealed preferential salt precipitation within the fine textured domains. Salt precipitation reduced evaporation rates from the fine textured regions by nearly an order of magnitude. In contrast, low evaporation rates from coarse-textured regions (due to low capillary drive) exhibited less salt precipitation and consequently less evaporation rate suppression. Experiments provided insights into two new phenomena: (1) a distinct increase in evaporation rate at the onset of evaporation; and (2) a vapor pumping mechanism related to the presence of a salt crust over semidry media. Both phenomena are related to local vapor pressure gradients established between pore water and the surface salt crust. Comparison of two salts: NaCl and NaI, which tend to precipitate above the matrix surface and within matrix pores, respectively, shows a much stronger influence of NaCl on evaporation rate suppression. This disparity reflects the limited effect of NaI precipitation on matrix resistivity for solution and vapor flows.

  15. Dynamic transverse shear modulus for a heterogeneous fluid-filled porous solid containing cylindrical inclusions

    Science.gov (United States)

    Song, Yongjia; Hu, Hengshan; Rudnicki, John W.; Duan, Yunda

    2016-09-01

    An exact analytical solution is presented for the effective dynamic transverse shear modulus in a heterogeneous fluid-filled porous solid containing cylindrical inclusions. The complex and frequency-dependent properties of the dynamic shear modulus are caused by the physical mechanism of mesoscopic-scale wave-induced fluid flow whose scale is smaller than wavelength but larger than the size of pores. Our model consists of three phases: a long cylindrical inclusion, a cylindrical shell of poroelastic matrix material with different mechanical and/or hydraulic properties than the inclusion and an outer region of effective homogeneous medium of laterally infinite extent. The behavior of both the inclusion and the matrix is described by Biot's consolidation equations, whereas the surrounding effective medium which is used to describe the effective transverse shear properties of the inner poroelastic composite is assumed to be a viscoelastic solid whose complex transverse shear modulus needs to be determined. The determined effective transverse shear modulus is used to quantify the S-wave attenuation and velocity dispersion in heterogeneous fluid-filled poroelastic rocks. The calculation shows the relaxation frequency and relative position of various fluid saturation dispersion curves predicted by this study exhibit very good agreement with those of a previous 2-D finite-element simulation. For the double-porosity model (inclusions having a different solid frame than the matrix but the same pore fluid as the matrix) the effective shear modulus also exhibits a size-dependent characteristic that the relaxation frequency moves to lower frequencies by two orders of magnitude if the radius of the cylindrical poroelastic composite increases by one order of magnitude. For the patchy-saturation model (inclusions having the same solid frame as the matrix but with a different pore fluid from the matrix), the heterogeneity in pore fluid cannot cause any attenuation in the

  16. Porous Ionic Polymers as a Robust and Efficient Platform for Capture and Chemical Fixation of Atmospheric CO2.

    Science.gov (United States)

    Sun, Qi; Jin, Yingyin; Aguila, Briana; Meng, Xiangju; Ma, Shengqian; Xiao, Feng-Shou

    2017-03-22

    Direct use of atmospheric CO2 as a C1 source to synthesize high-value chemicals through environmentally benign processes is of great interest, yet challenging. Porous heterogeneous catalysts that are capable of simultaneously capturing and converting CO2 are promising candidates for such applications. Herein, a family of organic ionic polymers with nanoporous structure, large surface area, strong affinity for CO2 , and very high density of catalytic active sites (halide ions) was synthesized through the free-radical polymerization of vinylfunctionalized quaternary phosphonium salts. The resultant porous ionic polymers (PIPs) exhibit excellent activities in the cycloaddition of epoxides with atmospheric CO2 , outperforming the corresponding soluble phosphonium salt analogues and ranking among the highest of known metal-free catalytic systems. The high CO2 uptake capacity of the PIPs facilitates the enrichment of CO2 molecules around the catalytic centers, thereby benefiting its conversion. We have demonstrated for the first time that atmospheric CO2 can be directly converted to cyclic carbonates at room temperature using a heterogeneous catalytic system under metal-solvent free conditions. Moreover, the catalysts proved to be robust and fully recyclable, demonstrating promising potential for practical utilization for the chemical fixation of CO2 . Our work thereby paves a way to the advance of PIPs as a new type of platform for capture and conversion of CO2 .

  17. Numerical research on the anisotropic transport of thermal neutron in heterogeneous porous media with micron X-ray computed tomography

    OpenAIRE

    Yong Wang; Wenzheng Yue; Mo Zhang

    2016-01-01

    The anisotropic transport of thermal neutron in heterogeneous porous media is of great research interests in many fields. In this paper, it is the first time that a new model based on micron X-ray computed tomography (CT) has been proposed to simultaneously consider both the separation of matrix and pore and the distribution of mineral components. We apply the Monte Carlo method to simulate thermal neutrons transporting through the model along different directions, and meanwhile detect those ...

  18. Heterogeneously Catalysed Chemical Reactions in Carbon Dioxide Medium

    DEFF Research Database (Denmark)

    Musko, Nikolai E.

    studies of catalytic chemical reactions in dense and supercritical carbon dioxide have been complemented by the theoretical calculations of phase equilibria using advanced thermodynamic models. In the recent years, the use of compressed carbon dioxide as innovative, non-toxic and non-flammable, cheap...... is discussed more extensively. Heterogeneously catalysed hydrogenation reactions are considered to be quite well studied and established. However, the catalyst performance can alter significantly when the reaction is performed in carbon dioxide medium. This effect was studied with the example of the selective...... the selective hydrogenation of unsaturated aldehydes in carbon dioxide medium. It was found that supported tungstosilicic acid catalysts and acidic resin Amberlyst-15 are very effective for performing aldol reactions. The positive influence of temperature and CO2-content on catalyst activity was studied...

  19. An adaptive control volume finite element method for simulation of multi-scale flow in heterogeneous porous media

    Science.gov (United States)

    Mostaghimi, P.; Percival, J. R.; Pavlidis, D.; Gorman, G.; Jackson, M.; Neethling, S.; Pain, C. C.

    2013-12-01

    Numerical simulation of multiphase flow in porous media is of importance in a wide range of applications in science and engineering. We present a novel control volume finite element method (CVFEM) to solve for multi-scale flow in heterogeneous geological formations. It employs a node centred control volume approach to discretize the saturation equation, while a control volume finite element method is applied for the pressure equation. We embed the discrete continuity equation into the pressure equation and assure that the continuity is exactly enforced. Anisotropic mesh adaptivity is used to accurately model the fine grained features of multiphase flow. The adaptive algorithm uses a metric tensor field based on solution error estimates to locally control the size and shape of elements in the metric. Moreover, it uses metric advection between adaptive meshes in order to predict the future required density of mesh thereby reducing numerical dispersion at the saturation front. The scheme is capable of capturing multi-scale heterogeneity such as those in fractured porous media through the use of several constraints on the element size in different regions of porous media. We show the application of our method for simulation of flow in some challenging benchmark problems. For flow in fractured reservoirs, the scheme adapts the mesh as the flow penetrates through the fracture and the matrix. The constraints for the element size within the fracture are smaller by several orders of magnitude than the generated mesh within the matrix. We show that the scheme captures the key multi-scale features of flow while preserving the geometry. We demonstrate that mesh adaptation can be used to accurately simulate flow in heterogeneous porous media at low computational cost.

  20. Online Adaptive Local-Global Model Reduction for Flows in Heterogeneous Porous Media

    KAUST Repository

    Efendiev, Yalchin R.

    2016-06-07

    We propose an online adaptive local-global POD-DEIM model reduction method for flows in heterogeneous porous media. The main idea of the proposed method is to use local online indicators to decide on the global update, which is performed via reduced cost local multiscale basis functions. This unique local-global online combination allows (1) developing local indicators that are used for both local and global updates (2) computing global online modes via local multiscale basis functions. The multiscale basis functions consist of offline and some online local basis functions. The approach used for constructing a global reduced system is based on Proper Orthogonal Decomposition (POD) Galerkin projection. The nonlinearities are approximated by the Discrete Empirical Interpolation Method (DEIM). The online adaption is performed by incorporating new data, which become available at the online stage. Once the criterion for updates is satisfied, we adapt the reduced system online by changing the POD subspace and the DEIM approximation of the nonlinear functions. The main contribution of the paper is that the criterion for adaption and the construction of the global online modes are based on local error indicators and local multiscale basis function which can be cheaply computed. Since the adaption is performed infrequently, the new methodology does not add significant computational overhead associated with when and how to adapt the reduced basis. Our approach is particularly useful for situations where it is desired to solve the reduced system for inputs or controls that result in a solution outside the span of the snapshots generated in the offline stage. Our method also offers an alternative of constructing a robust reduced system even if a potential initial poor choice of snapshots is used. Applications to single-phase and two-phase flow problems demonstrate the efficiency of our method.

  1. Gravity-Driven Flow of non-Newtonian Fluids in Heterogeneous Porous Media: a Theoretical and Experimental Analysis

    Science.gov (United States)

    Di Federico, V.; Longo, S.; Ciriello, V.; Chiapponi, L.

    2015-12-01

    A theoretical and experimental analysis of non-Newtonian gravity-driven flow in porous media with spatially variable properties is presented. The motivation for our study is the rheological complexity exhibited by several environmental contaminants (wastewater sludge, oil pollutants, waste produced by the minerals and coal industries) and remediation agents (suspensions employed to enhance the efficiency of in-situ remediation). Natural porous media are inherently heterogeneous, and this heterogeneity influences the extent and shape of the porous domain invaded by the contaminant or remediation agent. To grasp the combined effect of rheology and spatial heterogeneity, we consider: a) the release of a thin current of non-Newtonian power-law fluid into a 2-D, semi-infinite and saturated porous medium above a horizontal bed; b) perfectly stratified media, with permeability and porosity varying along the direction transverse (vertical) or parallel (horizontal) to the flow direction. This continuous variation of spatial properties is described by two additional parameters. In order to represent several possible spreading scenarios, we consider: i) instantaneous injection with constant mass; ii) continuous injection with time-variable mass; iii) instantaneous release of a mound of fluid, which can drain freely out of the formation at the origin (dipole flow). Under these assumptions, scalings for current length and thickness are derived in self similar form. An analysis of the conditions on model parameters required to avoid an unphysical or asymptotically invalid result is presented. Theoretical results are validated against multiple sets of experiments, conducted for different combinations of spreading scenarios and types of stratification. Two basic setups are employed for the experiments: I) direct flow simulation in an artificial porous medium constructed superimposing layers of glass beads of different diameter; II) a Hele-Shaw (HS) analogue made of two parallel

  2. Heterogeneous photocatalysis of moxifloxacin in water: chemical transformation and ecotoxicity.

    Science.gov (United States)

    Van Doorslaer, Xander; Haylamicheal, Israel Deneke; Dewulf, Jo; Van Langenhove, Herman; Janssen, Colin R; Demeestere, Kristof

    2015-01-01

    This work provides new insights on the impact of TiO2/UV catalyzed chemical transformation of moxifloxacin on ecotoxicity effects towards the green alga Pseudokirchneriella subcapitata. The moxifloxacin median effect concentration (EC-50=0.78 [0.56, 1.09] mg L(-1)), determined in accordance to the OECD 72-h growth inhibition test guideline, was 7 times lower than that of the older and widely used fluoroquinolone ciprofloxacin (EC-50=5.57 [4.86, 6.38] mg L(-1)). Applying heterogeneous photocatalysis as an advanced oxidation technique to degrade moxifloxacin in aqueous solution decreased the average growth inhibition from 72% to 14% after 150 min of treatment. No significant carbon mineralization was observed and liquid chromatography mass spectrometry analysis revealed the formation of 13 degradation products for which a chemical structure could be proposed based on accurate mass determination. Combined chemical and ecotoxicological analysis showed that as long as moxifloxacin is present in the reaction solution, it is the main compound affecting algal growth inhibition. However, also the contribution of the degradation products to the observed ecotoxicity cannot be neglected. Photocatalytically induced modifications of moxifloxacin mainly occur at the diazobicyclo-substituent as ring opening, oxidation into carbonyl groups, and hydroxylation. This results into the formation of more hydrophilic compounds with a decreased biological activity compared with moxifloxacin. The change in lipophilicity, and possibly a modified acid-base speciation, most probably also affect the cell membrane permeation of the degradation products, which might be another factor explaining the observed lower residual ecotoxicity of the photocatalytically treated reaction solutions.

  3. Elaboration of composite and chemically heterogeneous icephobic coatings

    Science.gov (United States)

    Arianpour, Faranak

    Atmospheric icing happens when the surfaces of exposed structures are subjected to contact with super-cooled water droplets or snow particles. Ice build-up on overhead transmission and distribution lines may lead to mechanical failure or insulator flashover, sometimes resulting in power outages with major socioeconomic consequences. The present study focused on the preparation of heterogeneous coatings (HCs) with hydro- and icephobic properties presenting a number of advantages, such as easy application, time-saving and low cost. The homo- and HCs were prepared by using different methods such as self-assembly, nanoparticles-based and Plasma-based techniques. Super-hydrophobic coatings with very low wetting hysteresis are also considered to be icephobic. However, even super-hydrophobic coatings can deteriorate during successive icing/de-icing cycles, and this can lead to ice mechanical anchoring since liquid water penetrates the porous surface. Additionally, the cost and complexity involved in the fabrication of such coatings as micro and nano roughness is created, constitute other hurdles. In this study HCs are considered as a coating including hydrocarbons and fluorocarbons, while purely hydrocarbons or fluorocarbons coatings are considered as the homogeneous coatings. It was shown by applying different functions (both C-F and C-H) the surface energy is decreased more compared to applying only one function (C-F or C-H alone). It should be noted that the water molecule orientations at the surfaces of the fluorocarbon and hydrocarbon groups were completely different. As a result, by inducing or creating various disparities (hydrocarbons and fluorocarbons) in terms of energy bonding, and water molecule orientation at the molecular level, the ice-solid interface is weakened. The wettability measurement of the HCs showed higher water contact angle (CA) values and smaller water contact angle hysteresis (CAH) values compared to homogeneous coatings. The most important

  4. Variations in hydraulic conductivity with scale of measurement during aquifer tests in heterogeneous, porous carbonate rocks

    Science.gov (United States)

    Schulze-Makuch, Dirk; Cherkauer, Douglas S.

    Previous studies have shown that hydraulic conductivity of an aquifer seems to increase as the portion of the aquifer tested increases. To date, such studies have all relied on different methods to determine hydraulic conductivity at each scale of interest, which raises the possibility that the observed increase in hydraulic conductivity is due to the measurement method, not to the scale. This study analyzes hydraulic conductivity with respect to scale during individual aquifer tests in porous, heterogeneous carbonate rocks in southeastern Wisconsin, USA. Results from this study indicate that hydraulic conductivity generally increases during an individual test as the volume of aquifer impacted increases, and the rate of this increase is the same as the rate of increase determined by using different measurement methods. Thus, scale dependence of hydraulic conductivity during single tests does not depend on the method of measurement. This conclusion is supported by 22 of 26 aquifer tests conducted in porous-flow-dominated carbonate units within the aquifer. Instead, scale dependency is probably caused by heterogeneities within the aquifer, a conclusion supported by digital simulation. All of the observed types of hydraulic-conductivity variations with scale during individual aquifer tests can be explained by a conceptual model of a simple heterogeneous aquifer composed of high-conductivity zones within a low-conductivity matrix. Résumé Certaines études ont montré que la conductivité hydraulique d'un aquifère semble augmenter en même temps que la partie testée de l'aquifère s'étend. Jusqu'à présent, ces études ont toutes reposé sur des méthodes de détermination de la conductivité hydraulique différentes pour chaque niveau d'échelle, ce qui a conduit à penser que l'augmentation observée de la conductivité hydraulique pouvait être due aux méthodes de mesure et non à l'effet d'échelle. Cette étude analyse la conductivité hydraulique par

  5. Finite volume approximation of the three-dimensional flow equation in axisymmetric, heterogeneous porous media based on local analytical solution

    KAUST Repository

    Salama, Amgad

    2013-09-01

    In this work the problem of flow in three-dimensional, axisymmetric, heterogeneous porous medium domain is investigated numerically. For this system, it is natural to use cylindrical coordinate system, which is useful in describing phenomena that have some rotational symmetry about the longitudinal axis. This can happen in porous media, for example, in the vicinity of production/injection wells. The basic feature of this system is the fact that the flux component (volume flow rate per unit area) in the radial direction is changing because of the continuous change of the area. In this case, variables change rapidly closer to the axis of symmetry and this requires the mesh to be denser. In this work, we generalize a methodology that allows coarser mesh to be used and yet yields accurate results. This method is based on constructing local analytical solution in each cell in the radial direction and moves the derivatives in the other directions to the source term. A new expression for the harmonic mean of the hydraulic conductivity in the radial direction is developed. Apparently, this approach conforms to the analytical solution for uni-directional flows in radial direction in homogeneous porous media. For the case when the porous medium is heterogeneous or the boundary conditions is more complex, comparing with the mesh-independent solution, this approach requires only coarser mesh to arrive at this solution while the traditional methods require more denser mesh. Comparisons for different hydraulic conductivity scenarios and boundary conditions have also been introduced. © 2013 Elsevier B.V.

  6. Effective grid-dependent dispersion coefficient for conservative and reactive transport simulations in heterogeneous porous media

    Science.gov (United States)

    Cortinez, J. M.; Valocchi, A. J.; Herrera, P. A.

    2013-12-01

    Because of the finite size of numerical grids, it is very difficult to correctly account for processes that occur at different spatial scales to accurately simulate the migration of conservative and reactive compounds dissolved in groundwater. In one hand, transport processes in heterogeneous porous media are controlled by local-scale dispersion associated to transport processes at the pore-scale. On the other hand, variations of velocity at the continuum- or Darcy-scale produce spreading of the contaminant plume, which is referred to as macro-dispersion. Furthermore, under some conditions both effects interact, so that spreading may enhance the action of local-scale dispersion resulting in higher mixing, dilution and reaction rates. Traditionally, transport processes at different spatial scales have been included in numerical simulations by using a single dispersion coefficient. This approach implicitly assumes that the separate effects of local-dispersion and macro-dispersion can be added and represented by a unique effective dispersion coefficient. Moreover, the selection of the effective dispersion coefficient for numerical simulations usually do not consider the filtering effect of the grid size over the small-scale flow features. We have developed a multi-scale Lagragian numerical method that allows using two different dispersion coefficients to represent local- and macro-scale dispersion. This technique considers fluid particles that carry solute mass and whose locations evolve according to a deterministic component given by the grid-scale velocity and a stochastic component that corresponds to a block-effective macro-dispersion coefficient. Mass transfer between particles due to local-scale dispersion is approximated by a meshless method. We use our model to test under which transport conditions the combined effect of local- and macro-dispersion are additive and can be represented by a single effective dispersion coefficient. We also demonstrate that for

  7. Hybrid finite volume scheme for a two-phase flow in heterogeneous porous media*

    Directory of Open Access Journals (Sweden)

    Brenner Konstantin

    2012-04-01

    Full Text Available We propose a finite volume method on general meshes for the numerical simulation of an incompressible and immiscible two-phase flow in porous media. We consider the case that can be written as a coupled system involving a degenerate parabolic convection-diffusion equation for the saturation together with a uniformly elliptic equation for the global pressure. The numerical scheme, which is implicit in time, allows computations in the case of a heterogeneous and anisotropic permeability tensor. The convective fluxes, which are non monotone with respect to the unknown saturation and discontinuous with respect to the space variables, are discretized by means of a special Godunov scheme. We prove the existence of a discrete solution which converges, along a subsequence, to a solution of the continuous problem. We present a number of numerical results in space dimension two, which confirm the efficiency of the numerical method. Nous proposons un schéma de volumes finis hybrides pour la discrétisation d’un problème d’écoulement diphasique incompressible et immiscible en milieu poreux. On suppose que ce problème a la forme d’une équation parabolique dégénérée de convection-diffusion en saturation couplée à une équation uniformément elliptique en pression. On considère un schéma implicite en temps, où les flux diffusifs sont discrétisés par la méthode des volumes finis hybride, ce qui permet de pouvoir traiter le cas d’un tenseur de perméabilité anisotrope et hétérogène sur un maillage très général, et l’on s’appuie sur un schéma de Godunov pour la discrétisation des flux convectifs, qui peuvent être non monotones et discontinus par rapport aux variables spatiales. On démontre l’existence d’une solution discrète, dont une sous-suite converge vers une solution faible du problème continu. On présente finalement des cas test bidimensionnels.

  8. The use of laboratory experiments for the study of conservative solute transport in heterogeneous porous media

    Science.gov (United States)

    Silliman, S. E.; Zheng, L.; Conwell, P.

    Laboratory experiments on heterogeneous porous media (otherwise known as intermediate scale experiments, or ISEs) have been increasingly relied upon by hydrogeologists for the study of saturated and unsaturated groundwater systems. Among the many ongoing applications of ISEs is the study of fluid flow and the transport of conservative solutes in correlated permeability fields. Recent advances in ISE design have provided the capability of creating correlated permeability fields in the laboratory. This capability is important in the application of ISEs for the assessment of recent stochastic theories. In addition, pressure-transducer technology and visualization methods have provided the potential for ISEs to be used in characterizing the spatial distributions of both hydraulic head and local water velocity within correlated permeability fields. Finally, various methods are available for characterizing temporal variations in the spatial distribution (and, thereby, the spatial moments) of solute concentrations within ISEs. It is concluded, therefore, that recent developments in experimental techniques have provided an opportunity to use ISEs as important tools in the continuing study of fluid flow and the transport of conservative solutes in heterogeneous, saturated porous media. Résumé Les hydrogéologues se sont progressivement appuyés sur des expériences de laboratoire sur des milieux poreux hétérogènes (connus aussi par l'expression "Expériences àéchelle intermédiaire", ISE) pour étudier les zones saturées et non saturées des aquifères. Parmi les nombreuses applications en cours des ISE, il faut noter l'étude de l'écoulement de fluide et le transport de solutés conservatifs dans des champs aux perméabilités corrélées. Les récents progrès du protocole des ISE ont donné la possibilité de créer des champs de perméabilités corrélées au laboratoire. Cette possibilité est importante dans l'application des ISE pour l'évaluation des th

  9. Numerical analysis of wave-induced fluid flow effects related to mesoscopic heterogeneities for realistic models of porous media

    Science.gov (United States)

    Rubino, J. G.; Holliger, K.

    2010-12-01

    The classical version of the theory of poro-elasticity assumes that wave-induced fluid movements at the macroscopic scale, as defined by the prevailing wavelengths, are the only causes of seismic velocity dispersion and attenuation in porous media. Correspondingly, the probed material is implicitly supposed to be homogeneous at the microscopic and mesoscopic scales and all poro-elastic moduli are real-valued and independent of frequency. By now, there is, however, consistent evidence to demonstrate that, on their own, the physical mechanisms of classical poro-elasticity are unable to account for the attenuation behavior inferred from seismic observations. There is also increasing evidence indicating that structural and/or compositional heterogeneity at the mesoscopic scale is likely to be capable of explaining much of the excess attenuation observed in real data. Numerical modeling of poro-elastic seismic wave propagation in general and in the presence of mesoscopic heterogeneities in particular is inherently difficult. For this reason, most available work on this topic considers simplified geometries, such as periodically layered, binary distribution of the physical properties of the rock frame and/or the saturating pore fluids or mixtures of two porous phases characterized by a single dominant length scale. While such models have greatly contributed to a better conceptual understanding and quantification of the observed attenuation of seismic waves in porous media, they are often inadequate to account for specific geological and/or petrophysical details of a given situation. A primary reason for this is that to a first approximation many, if not most, typical porous rocks are characterized by continuous, scale-invariant distributions of the hydraulic and elastic material parameters as well as by continuously varying saturation levels. Mesoscopic heterogeneity of this type is not amenable to direct numerical modeling and we therefore address this problem through a

  10. Study on hydraulics and transport in heterogeneous porous media (III). 1998 annual report of advanced engineering research

    Energy Technology Data Exchange (ETDEWEB)

    Jinno, K. [Kyushu Univ., Fukuoka (Japan). Faculty of Engineering; Nakagawa, Tosao [Kyushu Univ., Fukuoka (Japan); Hosokawa, Kei [Kyushu Industrial Univ., Fukuoka (Japan); Hatanaka, K.; Ijiri, Yuji; Uchida, M. [Japan Nuclear Cycle Development Inst., Tokai, Ibaraki (Japan); Watari, S. [CRC Research Inst. Inc., Tokyo (Japan); Kanazawa, Y. [IDC, Tokai, Ibaraki (Japan)

    1999-06-01

    In computerized simulation for nuclide migration in an underground disposal system of high-level radioactive wastes, one of the key parameters is macroscopic dispersion coefficients which is known to depend on local hydraulic parameters such as permeability. This study aims to clarify fundamental aspect of effective diffusive flows of contaminants in heterogeneously permeable media. A cooperative study between Kyushu University and JNC started in 1996, The report describes the validity of the present numerical calculation model for transport behaviors using laboratory data, the applicability of the present method to geological environments of heterogeneous porous media having different permeability, and the comparison of numerical results obtained using the present method with the results reported from the field test held at Horkheimer Insel, Germany, using tracer injection technique and measurements at several observation wells. (S. Ohno)

  11. Different effects of surface heterogeneous atoms of porous and non-porous carbonaceous materials on adsorption of 1,1,2,2-tetrachloroethane in aqueous environment.

    Science.gov (United States)

    Chen, Weifeng; Ni, Jinzhi

    2017-05-01

    The surface heterogeneous atoms of carbonaceous materials (CMs) play an important role in adsorption of organic pollutants. However, little is known about the surface heterogeneous atoms of CMs might generate different effect on adsorption of hydrophobic organic compounds by porous carbonaceous materials - activated carbons (ACs) and non-porous carbonaceous materials (NPCMs). In this study, we observed that the surface oxygen and nitrogen atoms could decrease the adsorption affinity of both ACs and NPCMs for 1,1,2,2-tetrachloroethane (TeCA), but the degree of decreasing effects were very different. The increasing content of surface oxygen and nitrogen ([O + N]) caused a sharper decrease in adsorption affinity of ACs (slope of lg (kd/SA) vs [O + N]: -0.098∼-0.16) than that of NPCMs (slope of lg (kd/SA) vs [O + N]: -0.025∼-0.059) for TeCA. It was due to the water cluster formed by the surface hydrophilic atoms that could block the micropores and generate massive invalid adsorption sites in the micropores of ACs, while the water cluster only occupied the surface adsorption sites of NPCMs. Furthermore, with the increasing concentration of dissolved TeCA, the effect of surface area on adsorption affinity of NPCMs for TeCA kept constant while the effect of [O + N] decreased due to the competitive adsorption between water molecule and TeCA on the surface of NPCMs, meanwhile, both the effects of micropore volume and [O + N] on adsorption affinity of ACs for TeCA were decreased due to the mechanism of micropore volume filling. These findings are valuable for providing a deep insight into the adsorption mechanisms of CMs for TeCA.

  12. A note on variational multiscale methods for high-contrast heterogeneous porous media flows with rough source terms

    KAUST Repository

    Calo, Victor M.

    2011-09-01

    In this short note, we discuss variational multiscale methods for solving porous media flows in high-contrast heterogeneous media with rough source terms. Our objective is to separate, as much as possible, subgrid effects induced by the media properties from those due to heterogeneous source terms. For this reason, enriched coarse spaces designed for high-contrast multiscale problems are used to represent the effects of heterogeneities of the media. Furthermore, rough source terms are captured via auxiliary correction equations that appear in the formulation of variational multiscale methods [23]. These auxiliary equations are localized and one can use additive or multiplicative constructions for the subgrid corrections as discussed in the current paper. Our preliminary numerical results show that one can capture the effects due to both spatial heterogeneities in the coefficients (such as permeability field) and source terms (e.g., due to singular well terms) in one iteration. We test the cases for both smooth source terms and rough source terms and show that with the multiplicative correction, the numerical approximations are more accurate compared to the additive correction. © 2010 Elsevier Ltd.

  13. Multi-rate mass transfer modeling of two-phase flow in highly heterogeneous fractured and porous media

    Science.gov (United States)

    Tecklenburg, Jan; Neuweiler, Insa; Carrera, Jesus; Dentz, Marco

    2016-05-01

    We study modeling of two-phase flow in highly heterogeneous fractured and porous media. The flow behaviour is strongly influenced by mass transfer between a highly permeable (mobile) fracture domain and less permeable (immobile) matrix blocks. We quantify the effective two-phase flow behavior using a multirate rate mass transfer (MRMT) approach. We discuss the range of applicability of the MRMT approach in terms of the pertinent viscous and capillary diffusion time scales. We scrutinize the linearization of capillary diffusion in the immobile regions, which allows for the formulation of MRMT in the form of a non-local single equation model. The global memory function, which encodes mass transfer between the mobile and the immobile regions, is at the center of this method. We propose two methods to estimate the global memory function for a fracture network with given fracture and matrix geometry. Both employ a scaling approach based on the known local memory function for a given immobile region. With the first method, the local memory function is calculated numerically, while the second one employs a parametric memory function in form of truncated power-law. The developed concepts are applied and tested for fracture networks of different complexity. We find that both physically based parameter estimation methods for the global memory function provide predictive MRMT approaches for the description of multiphase flow in highly heterogeneous porous media.

  14. Influence of flow velocity and spatial heterogeneity on DNAPL migration in porous media: insights from laboratory experiments and numerical modelling

    Science.gov (United States)

    Zheng, Fei; Gao, Yanwei; Sun, Yuanyuan; Shi, Xiaoqing; Xu, Hongxia; Wu, Jichun

    2015-12-01

    Understanding the migration of dense non-aqueous phase liquids (DNAPLs) in complex subsurface systems is important for evaluating contamination source zones and designing remediation schemes after spill events. Six sandbox experiments were performed to explore the individual effect of flow velocity, and the combined effect of flow velocity and layered lenses on a DNAPL (PCE) migration in porous media. DNAPL saturation was measured using a light transmission system, and saturation distribution was quantified by spatial moments. The experimental results show that large flow velocity significantly promotes lateral and vertical migration of the low-viscosity DNAPL, while when layered lenses exist, the infiltration rate decreases and horizontal spread increases. Migration processes were numerically simulated, and the modelling results tested against experimental results. Furthermore, migration of DNAPLs with different viscosities was simulated to explore the combined effects of flow velocity and geological heterogeneity. Simulation results show that enhanced heterogeneity makes low-viscosity DNAPLs migrate along preferential pathways, resulting in irregular DNAPL morphology. Layered lenses combined with heterogeneity complicate the effect of flow velocity on the migration of low-viscosity DNAPLs by changing percolation paths. Results also demonstrate that flow velocity exhibits relatively little influence on the migration of medium/high-viscosity DNAPLs, which is predominantly controlled by viscosity and heterogeneity. Enhanced heterogeneity has a larger effect on migration behavior. Findings indicate that the migration paths and position of the source zone could change significantly, due to the combined effect of groundwater flow velocity and geological heterogeneity; thus, comprehensive hydrogeological investigation is needed to characterize the source zone.

  15. Theory of Water Desalination by Porous Electrodes with Immobile Chemical Charge

    NARCIS (Netherlands)

    Biesheuvel, P.M.; Hamelers, H.V.M.; Suss, M.E.

    2015-01-01

    In capacitive deionization (CDI), water is desalinated by storing ions in electrical double layers (EDLs) within the micropores of charged porous carbon electrodes. Recent experiments using chemically modified electrodes have shown differing, novel phenomena such as "inverted CDI," "enhanced CDI,

  16. Porous chitosan scaffold cross-linked by chemical and natural procedure applied to investigate cell regeneration

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Chih-Kai [Department of Materials Science and Engineering, National Cheng Kung University, No. 1, University Road, Tainan 70101, Taiwan (China); Liao, Jiunn-Der, E-mail: jdliao@mail.ncku.edu.tw [Department of Materials Science and Engineering, National Cheng Kung University, No. 1, University Road, Tainan 70101, Taiwan (China); Center of Micro/Nano Science and Technology, National Cheng Kung University, No. 1, University Road, Tainan 70101, Taiwan (China); Chung, Chia-Wei; Sung, Wei-I. [Department of Materials Science and Engineering, National Cheng Kung University, No. 1, University Road, Tainan 70101, Taiwan (China); Chang, Nai-Jen [Institute of Biomedical Engineering, National Cheng Kung University, No. 1, University Road, Tainan 70101, Taiwan (China)

    2012-12-01

    Highlights: Black-Right-Pointing-Pointer Polymeric scaffolds, made from chitosan-based films fixed by chemical (citrate) or natural method (genipin), were developed. Black-Right-Pointing-Pointer Nano-indentation with a constant harmonic frequency was applied on porous scaffolds to explore their surface mechanics. Black-Right-Pointing-Pointer The relationship between surface mechanical property and cell-surface interactions of scaffold materials was demonstrated. Black-Right-Pointing-Pointer Porous scaffolds cross-linked by genipin showed adequate cell affinity, non-toxicity, and suitable mechanical properties. - Abstract: Porous chitosan scaffold is used for tissue engineering and drug delivery, but is limited as a scaffold material due to its mechanical weakness, which restrains cell adhesion on the surface. In this study, a chemical reagent (citrate) and a natural reagent (genipin) are used as cross-linkers for the formation of chitosan-based films. Nanoindentation technique with a continuous stiffness measurement system is particularly applied on the porous scaffold surface to examine the characteristic modulus and nanohardness of a porous scaffold surface. The characteristic modulus of a genipin-cross-linked chitosan surface is Almost-Equal-To 2.325 GPa, which is significantly higher than that of an uncross-linked one ( Almost-Equal-To 1.292 GPa). The cell-scaffold surface interaction is assessed. The cell morphology and results of an MTS assay of 3T3-fibroblast cells of a genipin-cross-linked chitosan surface indicate that the enhancement of mechanical properties induced cell adhesion and proliferation on the modified porous scaffold surface. The pore size and mechanical properties of porous chitosan film can be tuned for specific applications such as tissue regeneration.

  17. Optical microresonator based on hollow sphere with porous wall for chemical sensing.

    Science.gov (United States)

    Wang, Hanzheng; Yuan, Lei; Kim, Cheol-Woon; Han, Qun; Wei, Tao; Lan, Xinwei; Xiao, Hai

    2012-01-01

    A porous-wall hollow glass microsphere (PW-HGM) was investigated as an optical resonator for chemical vapor sensing. A single mode optical fiber taper was used to interrogate the microresonator. Adsorption of chemical molecules into the nanosized pores induced a refractive index change of the thin wall and thus a shift in its resonance spectrum. The PW-HGM resonator had shown higher vapor detection sensitivity in comparison with a solid microsphere under similar test conditions.

  18. A NOVEL METHOD TO SYNTHESIZE N-DOPED CNTs ARRAYS VIA CHEMICAL MODIFYING POROUS ALUMINA MEMBRANE

    OpenAIRE

    CHENGYONG LI; LEI HE

    2014-01-01

    N-doped carbon nanotubes (CNTs) arrays were fabricated via simply chemical modifying porous alumina membrane (PAM) with dopamine. The diameter of N-doped CNTs is about 60–70 nm. The N/C atomic ratio is calculated to be 0.05 and the main functionality is pyridone/pyrrole N. This chemical modifying method can be used to fabricate mass of N-doped CNTs arrays in one step with single raw material.

  19. a Novel Method to Synthesize N-DOPED CNTs Arrays via Chemical Modifying Porous Alumina Membrane

    Science.gov (United States)

    Li, Chengyong; He, Lei

    2014-01-01

    N-doped carbon nanotubes (CNTs) arrays were fabricated via simply chemical modifying porous alumina membrane (PAM) with dopamine. The diameter of N-doped CNTs is about 60-70 nm. The N/C atomic ratio is calculated to be 0.05 and the main functionality is pyridone/pyrrole N. This chemical modifying method can be used to fabricate mass of N-doped CNTs arrays in one step with single raw material.

  20. Chemical treatments of the nanocrystalline porous TiO2 electrodes

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Two types of nanocrystalline porous TiO2 electrodes were prepared by the hydrothermal and painting methods. The incident photon-to-current efficiency and photoelectrical conversion efficiency were both improved by chemical treatments of titanium tetrachloride and titanium isopropoxide. The surface roughness, quantities of adsorbed dye, photocurrent-voltage curves, IR spectra and UV-visible absorption spectra were measured, and the mechanism of chemical treatments was discussed.

  1. Synthesis of sulfonated porous carbon nanospheres solid acid by a facile chemical activation route

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Binbin, E-mail: changbinbin806@163.com; Guo, Yanzhen; Yin, Hang; Zhang, Shouren; Yang, Baocheng, E-mail: baochengyang@yahoo.com

    2015-01-15

    Generally, porous carbon nanospheres materials are usually prepared via a template method, which is a multi-steps and high-cost strategy. Here, we reported a porous carbon nanosphere solid acid with high surface area and superior porosity, as well as uniform nanospheical morphology, which prepared by a facile chemical activation with ZnCl{sub 2} using resorcinol-formaldehyde (RF) resins spheres as precursor. The activation of RF resins spheres by ZnCl{sub 2} at 400 °C brought high surface area and large volume, and simultaneously retained numerous oxygen-containing and hydrogen-containing groups due to the relatively low processing temperature. The presence of these functional groups is favorable for the modification of –SO{sub 3}H groups by a followed sulfonation treating with sulphuric acid and organic sulfonic acid. The results of N{sub 2} adsorption–desorption and electron microscopy clearly showed the preservation of porous structure and nanospherical morphology. Infrared spectra certified the variation of surface functional groups after activation and the successful modification of –SO{sub 3}H groups after sulfonation. The acidities of catalysts were estimated by an indirect titration method and the modified amount of –SO{sub 3}H groups were examined by energy dispersive spectra. The results suggested sulfonated porous carbon nanospheres catalysts possessed high acidities and –SO{sub 3}H densities, which endowed their significantly catalytic activities for biodiesel production. Furthermore, their excellent stability and recycling property were also demonstrated by five consecutive cycles. - Graphical abstract: Sulfonated porous carbon nanospheres with high surface area and superior catalytic performance were prepared by a facile chemical activation route. - Highlights: • Porous carbon spheres solid acid prepared by a facile chemical activation. • It owns high surface area, superior porosity and uniform spherical morphology. • It possesses

  2. Design of porous polymeric scaffolds by gas foaming of heterogeneous blends.

    Science.gov (United States)

    Salerno, A; Oliviero, M; Di Maio, E; Iannace, S; Netti, P A

    2009-10-01

    One of the challenges in tissue engineering scaffold design is the realization of structures with a pre-defined multi-scaled porous network. Along this line, this study aimed at the design of porous scaffolds with controlled porosity and pore size distribution from blends of poly(epsilon-caprolactone) (PCL) and thermoplastic gelatin (TG), a thermoplastic natural material obtained by de novo thermoplasticization of gelatin. PCL/TG blends with composition in the range from 40/60 to 60/40 (w/w) were prepared by melt mixing process. The multi-phase microstructures of these blends were analyzed by scanning electron microscopy and dynamic mechanical analysis. Furthermore, in order to prepare open porous scaffolds for cell culture and tissue replacement, the TG and PCL were selectively extracted from the blends by the appropriate combination of solvent and extraction parameters. Finally, with the proposed combination of gas foaming and selective polymer extraction technologies, PCL and TG porous materials with multi-scaled and highly interconnected porosities were designed as novel scaffolds for new-tissue regeneration.

  3. Microbial-Induced Heterogeneity in the Acoustic Properties of Porous Media

    Science.gov (United States)

    Acoustic wave data were acquired over a two-dimensional region of a microbial-stimulated sand column and an unstimulated sand column to assess the spatiotemporal changes in a porous medium caused by microbial growth and biofilm formation. The acoustic signals from the unstimulate...

  4. Forced and natural gradient tracer tests in a highly heterogeneous porous aquifer: instrumentation and measurements

    Science.gov (United States)

    Ptak, T.; Teutsch, G.

    1994-07-01

    At the Horkheimer Insel experimental field site, several short to intermediate distance forced and natural gradient tracer tests with depth-integrated and multilevel sampling were conducted to characterize the aquifer transport properties. Compared with other test sites, the aquifer at the Horkheimer Insel is highly heterogeneous and highly conductive. Hence, new tracer measurement techniques had to be developed. This paper presents some of the instrumentation developed together with measurements and their initial interpretation. The results demonstrate that for contaminant transport predictions in highly heterogeneous and highly conductive aquifers, investigation techniques with a high resolution in time and space are needed. The aquifer heterogeneity is evident from the spatial variability of peak concentration, transport velocity and longitudinal macrodispersivity values obtained from the tracer tests. Furthermore, the tracer test results indicate that at the observation scale investigated, a complex numerical flow and transport model is needed to describe adequately mass transport within the heterogeneous aquifer.

  5. Impact of supersonic and subsonic aircraft on ozone: Including heterogeneous chemical reaction mechanisms

    Science.gov (United States)

    Kinnison, Douglas E.; Wuebbles, Donald J.

    1994-01-01

    Preliminary calculations suggest that heterogeneous reactions are important in calculating the impact on ozone from emissions of trace gases from aircraft fleets. In this study, three heterogeneous chemical processes that occur on background sulfuric acid aerosols are included and their effects on O3, NO(x), Cl(x), HCl, N2O5, ClONO2 are calculated.

  6. Engineering high-performance Pd core-MgO porous shell nanocatalysts via heterogeneous gas-phase synthesis.

    Science.gov (United States)

    Singh, Vidyadhar; Cassidy, Cathal; Abild-Pedersen, Frank; Kim, Jeong-Hwan; Aranishi, Kengo; Kumar, Sushant; Lal, Chhagan; Gspan, Christian; Grogger, Werner; Sowwan, Mukhles

    2015-08-28

    We report on the design and synthesis of high performance catalytic nanoparticles with a robust geometry via magnetron-sputter inert-gas condensation. Sputtering of Pd and Mg from two independent neighbouring targets enabled heterogeneous condensation and growth of nanoparticles with controlled Pd core-MgO porous shell structure. The thickness of the shell and the number of cores within each nanoparticle could be tailored by adjusting the respective sputtering powers. The nanoparticles were directly deposited on glassy carbon electrodes, and their catalytic activity towards methanol oxidation was examined by cyclic voltammetry. The measurements indicated that the catalytic activity was superior to conventional bare Pd nanoparticles. As confirmed by electron microscopy imaging and supported by density-functional theory (DFT) calculations, we attribute the improved catalytic performance primarily to inhibition of Pd core sintering during the catalytic process by the metal-oxide shell.

  7. Efficient triple-grid multiscale finite element method for 3D groundwater flow simulation in heterogeneous porous media

    Science.gov (United States)

    Xie, Yifan; Wu, Jichun; Nan, Tongchao; Xue, Yuqun; Xie, Chunhong; Ji, Haifeng

    2017-03-01

    In this paper, an efficient triple-grid multiscale finite element method (ETMSFEM) is proposed for 3D groundwater simulation in heterogeneous porous media. The main idea of this method is to employ new 3D linear base functions and the domain decomposition technique to solve the local reduced elliptical problem, thereby simplifying the base function construction process and improving the efficiency. Furthermore, by using the ETMSFEM base functions, this method can solve Darcy's equation with high efficiency to obtain a continuous velocity field. Therefore, this method can considerably reduce the computational cost of solving for heads and velocities, which is crucial for large-scale 3D groundwater simulations. In the application section, we present numerical examples to compare the ETMSFEM with several classical methods to demonstrate its efficiency and effectiveness.

  8. Membraneless flow battery leveraging flow-through heterogeneous porous media for improved power density and reduced crossover

    CERN Document Server

    Suss, Matthew E; Gilson, Laura; Buie, Cullen R; Bazant, Martin Z

    2016-01-01

    A key factor preventing the market penetration of renewable, intermittent energy sources, such as solar, wind and wave, is the lack of cost-effective energy storage options to counteract intermittency. Here, we propose and demonstrate a novel flow battery architecture that replaces traditional ion-exchange membranes with less expensive heterogeneous flow-through porous media. We present an experimentally-validated model which demonstrates that our architecture promises reduced crossover of reactive species compared to typical membraneless systems employing co-laminar flows in open channels. In addition, our prototype battery exhibits significantly improved power density (0.925 W/cm2) and maximum current density (3 A/cm2) compared to previous membraneless systems.

  9. Effect of Pore-Scale Heterogeneity and Capillary-Viscous Fingering on Commingled Waterflood Oil Recovery in Stratified Porous Media

    Directory of Open Access Journals (Sweden)

    Emad W. Al-Shalabi

    2016-01-01

    Full Text Available Oil recovery prediction and field pilot implements require basic understanding and estimation of displacement efficiency. Corefloods and glass micromodels are two of the commonly used experimental methods to achieve this. In this paper, waterflood recovery is investigated using layered etched glass micromodel and Berea sandstone core plugs with large permeability contrasts. This study focuses mainly on the effect of permeability (heterogeneity in stratified porous media with no cross-flow. Three experimental setups were designed to represent uniformly stratified oil reservoir with vertical discontinuity in permeability. Waterflood recovery to residual oil saturation (Sor is measured through glass micromodel (to aid visual observation, linear coreflood, and forced drainage-imbibition processes by ultracentrifuge. Six oil samples of low-to-medium viscosity and porous media of widely different permeability (darcy and millidarcy ranges were chosen for the study. The results showed that waterflood displacement efficiencies are consistent in both permeability ranges, namely, glass micromodel and Berea sandstone core plugs. Interestingly, the experimental results show that the low permeability zones resulted in higher ultimate oil recovery compared to high permeability zones. At Sor microheterogeneity and fingering are attributed for this phenomenon. In light of the findings, conformance control is discussed for better sweep efficiency. This paper may be of help to field operators to gain more insight into microheterogeneity and fingering phenomena and their impact on waterflood recovery estimation.

  10. Stochastic analysis of the effects of fluid density and viscosity variability on macrodispersion in heterogeneous porous media

    Energy Technology Data Exchange (ETDEWEB)

    Welty, C. (Drexel Univ., Philadelphia, PA (United States)); Gelhar, L.W. (Massachusetts Inst. of Tech., Cambridge (United States))

    1991-08-01

    Both porous medium heterogeneities and fluid density and viscosity contrasts affect solute transport in miscible fluid displacement. The effect of interaction of these processes on large-scale mixing are evaluated using spectral-based perturbation theory. A three-dimensional, statistically isotropic, exponential log permeability autocovariance is used to represent the spatial variability of the porous medium. State equations linearly relating log density and log viscosity perturbations to concentration perturbations represent the density and viscosity variability and strongly couple the flow and solute transport perturbation equations. Analytical expressions for longitudinal macrodispersivity, derived for one-dimensional mean solute transport, are functionally dependent on mean displacement distance, mean concentration and concentration gradient, density and viscosity differences, mean velocity, gravity, and correlation scale and variance of the log permeability process. Transient analysis shows that longitudinal macrodispersivity grows exponentially in time (or mean displacement distance) without bound for the case where instabilities due to viscous or gravity fingering arise (the unstable or fingering case) and that it grows at early time then decreases exponentially to an asymptotic value close to that of local dispersivity for the case where density or viscosity contrasts produce a stabilizing effect (the stable case).

  11. Heterogeneous porous media permeability field characterization from fluid displacement data; Integration de donnees de deplacements de fluides dans la caracterisation de milieux poreux heterogenes

    Energy Technology Data Exchange (ETDEWEB)

    Kretz, V.

    2002-11-01

    The prediction of oil recovery or pollutant dispersion requires an accurate knowledge of the permeability field distribution. Available data are usually measurements in well bores, and, since a few years, 4D-seismic data (seismic mappings repeated in time). Such measurements allow to evaluate fluids displacements fronts evolution. The purpose of the thesis is to evaluate the possibility to determinate permeability fields from fluid displacement measurements in heterogeneous porous media. At the laboratory scale, experimental studies are made on a model and on numerical simulations. The system uses blocks of granular materials whose individual geometries and permeabilities are controlled. The fluids displacements are detected with an acoustical. The key parameters of the study are the size and spatial correlation of the permeability heterogeneity distribution, and the influence of viscosity and gravity contrasts between the injected ant displaced fluid. Then the inverse problem - evaluating the permeability field from concentration fronts evolution - is approached. At the reservoir scale, the work will mainly be focused on the integration of 4D-seismic data into inversion programs on a 3D synthetic case. A particular importance will be given to the calculation of gradients, in order to obtain a complementary information about the sensitivity of data. The information provided by 4D-seismic data consists in maps showing the vertical average of oil saturation or the presence of gas. The purpose is to integrate this qualitative information in the inversion process and to evaluate the impact on the reservoir characterization. Comparative studies - with or without 4D-seismic data - will be realized on a synthetic case. (author)

  12. Synthesis of sulfonated porous carbon nanospheres solid acid by a facile chemical activation route

    Science.gov (United States)

    Chang, Binbin; Guo, Yanzhen; Yin, Hang; Zhang, Shouren; Yang, Baocheng

    2015-01-01

    Generally, porous carbon nanospheres materials are usually prepared via a template method, which is a multi-steps and high-cost strategy. Here, we reported a porous carbon nanosphere solid acid with high surface area and superior porosity, as well as uniform nanospheical morphology, which prepared by a facile chemical activation with ZnCl2 using resorcinol-formaldehyde (RF) resins spheres as precursor. The activation of RF resins spheres by ZnCl2 at 400 °C brought high surface area and large volume, and simultaneously retained numerous oxygen-containing and hydrogen-containing groups due to the relatively low processing temperature. The presence of these functional groups is favorable for the modification of -SO3H groups by a followed sulfonation treating with sulphuric acid and organic sulfonic acid. The results of N2 adsorption-desorption and electron microscopy clearly showed the preservation of porous structure and nanospherical morphology. Infrared spectra certified the variation of surface functional groups after activation and the successful modification of -SO3H groups after sulfonation. The acidities of catalysts were estimated by an indirect titration method and the modified amount of -SO3H groups were examined by energy dispersive spectra. The results suggested sulfonated porous carbon nanospheres catalysts possessed high acidities and -SO3H densities, which endowed their significantly catalytic activities for biodiesel production. Furthermore, their excellent stability and recycling property were also demonstrated by five consecutive cycles.

  13. Migration and Entrapment of DNAPLs in Heterogeneous Systems: Impact of Waste and Porous Medium Composition

    Energy Technology Data Exchange (ETDEWEB)

    Linda M. Abriola; Avery H. Demond

    2005-01-10

    Dense nonaqueous phase liquids (DNAPLs) pose a significant threat to soil and groundwater at Department of Energy (DOE) sites. Evidence suggests that subsurface wettability variations are present at many of these sites as a result of spatical and temporal variations in aqueous phase chemistry, contaminant aging, mineralogy and organic matter. The presence of such heterogeneity may significantly influence DNAPL migration and entrapment in the saturated zone.

  14. Effects of the investigation scale on pumping test results in heterogeneous porous aquifers

    Science.gov (United States)

    Schad, Hermann; Teutsch, Georg

    1994-07-01

    At the environmental field site Horkheimer Insel numerous pumping tests were performed at different investigation scales. The measured time-drawdown curves exhibit a characteristic segmentation into two or three drawdown phases. Since the site is highly heterogeneous it was intended to take advantage of the non-stationarity of the flow field during pumping tests in order to determine the effective length scale of the subsurface heterogeneity structure. The time-drawdown curves were evaluated using the Theis' analytical solution, which, however, yields different aquifer parameters for the different drawdown phases. Because this solution does not satisfy the properties of the test site aquifer totally, some of the inferred parameter distributions are regarded as suitable only for a relative comparison rather than representing 'true' effective parameters. Based on a definition of spatial and temporal scale, a statistical description along with a qualitative interpretation of the parameter distributions determined is provided. The results indicate that the effective length scale of the heterogeneity structure can be estimated from pumping test data. However, it is believed that for a quantitative interpretation of the field data, the application of numerical methods is necessary.

  15. Continuous-Flow Processes in Heterogeneously Catalyzed Transformations of Biomass Derivatives into Fuels and Chemicals

    Directory of Open Access Journals (Sweden)

    Antonio A. Romero

    2012-07-01

    Full Text Available Continuous flow chemical processes offer several advantages as compared to batch chemistries. These are particularly relevant in the case of heterogeneously catalyzed transformations of biomass-derived platform molecules into valuable chemicals and fuels. This work is aimed to provide an overview of key continuous flow processes developed to date dealing with a series of transformations of platform chemicals including alcohols, furanics, organic acids and polyols using a wide range of heterogeneous catalysts based on supported metals, solid acids and bifunctional (metal + acidic materials.

  16. Wetting heterogeneity in mixed-wet porous media controls flow dissipation

    CERN Document Server

    Murison, Julie; Baret, Jean-Christophe; Herminghaus, Stephan; Schröter, Matthias; Brinkmann, Martin

    2013-01-01

    Wettability is crucial for multiphase flow in porous media. However, the effect of spatial distribution of wetting domains has previously only been dealt with by averaging contact angles over several pores. By preparing tailored bead packings with the same average surface wettability, but differing in the typical spatial extension of the same-type wetting domains, we show that models based solely on averages do not capture the dynamics of two phase flow in such systems. Using X-ray tomography we measure the typical length scale xi of the wetting domains in our samples. In capillary pressure saturation (CPS) experiments we find that xi controls the width of the hysteresis loop for xi <= d, d being the bead diameter. X-Ray tomography of the samples during both water and oil invasion shows that the front morphology is smoothened at small values of xi. Both observations are consistent with an increase of dissipation for small correlation length.

  17. Time domain numerical modeling of wave propagation in 2D heterogeneous porous media

    CERN Document Server

    Chiavassa, Guillaume

    2010-01-01

    This paper deals with the numerical modeling of wave propagation in porous media described by Biot's theory. The viscous efforts between the fluid and the elastic skeleton are assumed to be a linear function of the relative velocity, which is valid in the low-frequency range. The coexistence of propagating fast compressional wave and shear wave, and of a diffusive slow compressional wave, makes numerical modeling tricky. To avoid restrictions on the time step, the Biot's system is splitted into two parts: the propagative part is discretized by a fourth-order ADER scheme, while the diffusive part is solved analytically. Near the material interfaces, a space-time mesh refinement is implemented to capture the small spatial scales related to the slow compressional wave. The jump conditions along the interfaces are discretized by an immersed interface method. Numerical experiments and comparisons with exact solutions confirm the accuracy of the numerical modeling. The efficiency of the approach is illustrated by s...

  18. Heterogeneous nucleation - current transients under chemical reaction control

    CERN Document Server

    D'Ajello-Tettamanzy, P C; Kipervaser, Z G S

    2002-01-01

    Heterogeneous nucleation on catalytic surfaces plunged into a fluid is described through a stochastic model. To generate this non-equilibrium process we assume that the turn on of a electrostatic potential triggers a complex dynamics that includes a free Brownian motion, a reaction kinetic and a stimulated migration before the final adhesion of ions on the surface (electrode). At, when the potential is switched on, the spatial symmetry is broken and a two-stage process is developed. First the ion undergoes a change in its electrochemical character (at some region of the space) and then reacts at some specific points to stick together on the surface. The continuous addition of ions develops a material deposit connected to the current transient signals measured in electrochemical deposition processes. Unlike current models found in the literature, this procedure avoids the computation of the area covered by the diffusion zones, allowing a formalism skill to describe equally well the absorption of ions by channe...

  19. Lattice Boltzmann simulation of immiscible fluid displacement in porous media: Homogeneous versus heterogeneous pore network

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Haihu, E-mail: haihu.liu@mail.xjtu.edu.cn [School of Energy and Power Engineering, Xi’an Jiaotong University, 28 West Xianning Road, Xi’an 710049 (China); James Weir Fluids Laboratory, Department of Mechanical and Aerospace Engineering, University of Strathclyde, Glasgow G1 1XJ (United Kingdom); Department of Civil and Environmental Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Zhang, Yonghao [James Weir Fluids Laboratory, Department of Mechanical and Aerospace Engineering, University of Strathclyde, Glasgow G1 1XJ (United Kingdom); Valocchi, Albert J. [Department of Civil and Environmental Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)

    2015-05-15

    Injection of anthropogenic carbon dioxide (CO{sub 2}) into geological formations is a promising approach to reduce greenhouse gas emissions into the atmosphere. Predicting the amount of CO{sub 2} that can be captured and its long-term storage stability in subsurface requires a fundamental understanding of multiphase displacement phenomena at the pore scale. In this paper, the lattice Boltzmann method is employed to simulate the immiscible displacement of a wetting fluid by a non-wetting one in two microfluidic flow cells, one with a homogeneous pore network and the other with a randomly heterogeneous pore network. We have identified three different displacement patterns, namely, stable displacement, capillary fingering, and viscous fingering, all of which are strongly dependent upon the capillary number (Ca), viscosity ratio (M), and the media heterogeneity. The non-wetting fluid saturation (S{sub nw}) is found to increase nearly linearly with logCa for each constant M. Increasing M (viscosity ratio of non-wetting fluid to wetting fluid) or decreasing the media heterogeneity can enhance the stability of the displacement process, resulting in an increase in S{sub nw}. In either pore networks, the specific interfacial length is linearly proportional to S{sub nw} during drainage with equal proportionality constant for all cases excluding those revealing considerable viscous fingering. Our numerical results confirm the previous experimental finding that the steady state specific interfacial length exhibits a linear dependence on S{sub nw} for either favorable (M ≥ 1) or unfavorable (M < 1) displacement, and the slope is slightly higher for the unfavorable displacement.

  20. Probability density function of non-reactive solute concentration in heterogeneous porous formations.

    Science.gov (United States)

    Bellin, Alberto; Tonina, Daniele

    2007-10-30

    Available models of solute transport in heterogeneous formations lack in providing complete characterization of the predicted concentration. This is a serious drawback especially in risk analysis where confidence intervals and probability of exceeding threshold values are required. Our contribution to fill this gap of knowledge is a probability distribution model for the local concentration of conservative tracers migrating in heterogeneous aquifers. Our model accounts for dilution, mechanical mixing within the sampling volume and spreading due to formation heterogeneity. It is developed by modeling local concentration dynamics with an Ito Stochastic Differential Equation (SDE) that under the hypothesis of statistical stationarity leads to the Beta probability distribution function (pdf) for the solute concentration. This model shows large flexibility in capturing the smoothing effect of the sampling volume and the associated reduction of the probability of exceeding large concentrations. Furthermore, it is fully characterized by the first two moments of the solute concentration, and these are the same pieces of information required for standard geostatistical techniques employing Normal or Log-Normal distributions. Additionally, we show that in the absence of pore-scale dispersion and for point concentrations the pdf model converges to the binary distribution of [Dagan, G., 1982. Stochastic modeling of groundwater flow by unconditional and conditional probabilities, 2, The solute transport. Water Resour. Res. 18 (4), 835-848.], while it approaches the Normal distribution for sampling volumes much larger than the characteristic scale of the aquifer heterogeneity. Furthermore, we demonstrate that the same model with the spatial moments replacing the statistical moments can be applied to estimate the proportion of the plume volume where solute concentrations are above or below critical thresholds. Application of this model to point and vertically averaged bromide

  1. Uncertainty estimation in one-dimensional heat transport model for heterogeneous porous medium.

    Science.gov (United States)

    Chang, Ching-Min; Yeh, Hund-Der

    2014-01-01

    In many practical applications, the rates for ground water recharge and discharge are determined based on the analytical solution developed by Bredehoeft and Papadopulos (1965) to the one-dimensional steady-state heat transport equation. Groundwater flow processes are affected by the heterogeneity of subsurface systems; yet, the details of which cannot be anticipated precisely. There exists a great deal of uncertainty (variability) associated with the application of Bredehoeft and Papadopulos' solution (1965) to the field-scale heat transport problems. However, the quantification of uncertainty involved in such application has so far not been addressed, which is the objective of this wok. In addition, the influence of the statistical properties of log hydraulic conductivity field on the variability in temperature field in a heterogeneous aquifer is also investigated. The results of the analysis demonstrate that the variability (or uncertainty) in the temperature field increases with the correlation scale of the log hydraulic conductivity covariance function and the variability of temperature field also depends positively on the position.

  2. Development of models for fast fluid pathways through unsaturated heterogeneous porous media

    Energy Technology Data Exchange (ETDEWEB)

    Robey, T.H. [Spectra Research Inst., Albuquerque, NM (United States)

    1994-11-01

    The pre-waste-emplacement ground water travel time requirement is a regulatory criterion that specifies ground water travel time to the accessible environment shall be greater than 1,000 years. Satisfying the ground water travel time criterion for the potential repository at Yucca Mountain requires the study of fast travel path formation in the unsaturated zone and development of models that simulate the formation of fast paths. Conceptual models for unsaturated flow that have been used for total-systems performance assessment generally fall into the categories of composite-porosity or fracture models. The actual hydrologic conditions at Yucca Mountain are thought to lie somewhere between the extremes of these two types of models. The current study considers the effects of heterogeneities on composite-porosity models and seeks to develop numerical methods (and models) that can produce locally saturated zones where fracture flow can occur. The credibility of the model and numerical methods is investigated by using test data from the INTRAVAL project (Swedish Nuclear Inspectorate, 1992) to attempt to predict in-situ volumetric water content at specific locations in Yucca Mountain. Work based on the numerical methods presented in this study is eventually intended to allow the calculation of ground water travel times in heterogeneous media. 60 refs.

  3. Effective Block-Scale Dispersion and Its Self-Averaging Behavior in Heterogeneous Porous Media

    Science.gov (United States)

    de Barros, Felipe; Dentz, Marco

    2015-04-01

    Upscaled (effective) dispersion coefficients in spatially heterogeneous flow fields must (1) account for the sub-scale variability that is filtered out by homogenization and (2) be modeled as a random function to incorporate the uncertainty associated with non-ergodic solute bodies. In this study, we use the framework developed in de Barros and Rubin (2011) [de Barros F.P.J. and Rubin Y., Modelling of block-scale macrodispersion as a random function. Journal of Fluid Mechanics 676 (2011): 514-545] to develop novel semi-analytical expressions for the first two statistical moments of the block-effective dispersion coefficients in three-dimensional spatially random flow fields as a function of the key characteristic length scales defining the transport problem. The derived expressions are based on perturbation theory and limited to weak-to-mild heterogeneity and uniform-in-the-mean steady state flow fields. The semi-analytical solutions provide physical insights of the main controlling factors influencing the temporal scaling of the dispersion coefficient of the solute body and its self-averaging dispersion behavior. Our results illustrate the relevance of the joint influence of the block-scale and local-scale dispersion in diminishing the macrodispersion variance under non-ergodic conditions. The impact of the statistical anisotropy ratio in the block-effective macrodispersion self-averaging behavior is also investigated. The analysis performed in this work has implications in numerical modeling and grid design.

  4. Heterogeneously Catalyzed Valorization of Monoterpenes to High Value-Added Chemicals

    OpenAIRE

    Golets, Mikhail

    2014-01-01

    A potential industrial process is profitable only if it is successfully implemented by the continuously developing chemical industry. Throughout last decades heterogeneous catalysis has opened doors to the creation of various know-how products which previously were considered unfeasible. Moreover, the use of heterogeneous catalysts allows improving existing processes to shift towards more ecological and cost efficient practices. In particular, polymer or fuel compounds could be eco-friendly p...

  5. Modified chemical synthesis of porous α-Sm{sub 2}S{sub 3} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Kumbhar, V.S.; Jagadale, A.D. [Thin Film Physics Laboratory, Department of Physics, Shivaji University, Kolhapur, (M.S.) 416004 (India); Gaikwad, N.S. [Rayat Shikshan Sanstha, Satara, (M.S.) 415 001 (India); Lokhande, C.D., E-mail: l_chandrakant@yahoo.com [Thin Film Physics Laboratory, Department of Physics, Shivaji University, Kolhapur, (M.S.) 416004 (India)

    2014-08-15

    Highlights: • A novel chemical route to prepare α-Sm{sub 2}S{sub 3} thin films. • A porous honeycomb like morphology of the α-Sm{sub 2}S{sub 3} thin film. • An application of α-Sm{sub 2}S{sub 3} thin film toward its supercapacitive behaviour. - Abstract: The paper reports synthesis of porous α-Sm{sub 2}S{sub 3} thin films using modified chemical synthesis, also known as successive ionic layer adsorption and reaction (SILAR) method. The X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), atomic force microscopy (AFM), wettability and ultraviolet–visible spectroscopy (UV–vis) techniques are used for the study of structural, elemental, morphological and optical properties of α-Sm{sub 2}S{sub 3} films. An orthorhombic crystal structure of α-Sm{sub 2}S{sub 3} is resulted from XRD study. The SEM and AFM observations showed highly porous α-Sm{sub 2}S{sub 3} film surface. An optical band gap of 2.50 eV is estimated from optical absorption spectrum. The porous α-Sm{sub 2}S{sub 3} thin film tuned for supercapacitive behaviour using cyclic voltammetry and galvanostatic charge discharge showed a specific capacitance and energy density of 294 Fg{sup –1} and 48.9 kW kg{sup –1}, respectively in 1 M LiClO{sub 4}–propylene carbonate electrolyte.

  6. Thermochemical model for shock-induced chemical reactions in porous thermite: The heat detonation model

    Energy Technology Data Exchange (ETDEWEB)

    Boslough, M.B.

    1989-01-01

    A thermochemical model has been developed that treats a shock-induced solid state chemical reaction as a special type of detonation, called a ''heat detonation'' to distinguish it from an ordinary explosive detonation and describe the final form that the chemical energy takes. According to shock temperature measurements, chemical energy can be released from porous reactive solids on a time scale shorter than shock-transit times in laboratory samples. By comparing the experimental shock temperature for porous thermite to that calculated by the model, the amount of thermite reacted when shocked to about 4 GPa was estimated to be between 60 and 70%. Calculated shock temperatures are extremely strong functions of the extent of reaction, but are relatively insensitive to the initial porosity and amount of volatile impurities. Thus, shock temperature measurements are the most useful for real-time studies of shock-induced exothermic chemical reactions in solids. 11 refs., 5 figs., 1 tab.

  7. Evaluation of the stress-strain state of a one-dimensional heterogeneous porous structure

    Science.gov (United States)

    Gerasimov, O.; Shigapova, F.; Konoplev, Yu; Sachenkov, O.

    2016-11-01

    The paper deals with the problem of determining the stress-strain state of the distal part of the pelvic girdle bones. The area was modeled using a rod loaded by a compressive force and was described by physical relations linking the stress-strain tensor through the elastic constants, the fabric tensor, and the solid volume fraction of the material. Taking into account the law of porosity variation, we considered the problem of evaluating the stress-strain state depending on the nature of the porous structure, and the relationship of the structure with mechanical macroparameters. In this work, we present the results of calculations for a single load, construct the diagrams for the components of the strain tensor, and carry out an assessment of deformations for various system parameters. To evaluate the macroparameters, we built the dependence of the Poisson ratio of the material on the rotation angle a and the pore ellipticity parameter λ. The sensitivity of the deformations to the elastic constants was also estimated.

  8. Pore Scale Heterogeneity in the Mineral Distribution and Surface Area of Porous Rocks

    Science.gov (United States)

    Lai, Peter; Krevor, Sam

    2015-04-01

    An important control on rate of interfacial processes between minerals and aqueous solutions such as nucleation of solids, and mineral dissolution and growth is reactive surface area. In geochemical modelling, the continuum hypothesis is based on the assumption that the system can be represented by a sufficiently large number of representative elemental volumes. There has been recent interest in studying the impact of this assumption on reaction-transport coupled systems. In this study, the impact of pore-scale heterogeneity on the distribution of reactive surface area is discussed. 3D images obtained using x-ray micro-tomography were used to characterise the distribution of reactive surface area. The results were compared to independent observations. Mineral identification using x- ray diffraction and fluorescence suggested general agreement with CT analysis. Nitrogen BET surface areas were one to two orders of magnitude higher than measurements from x-ray imagery. Co- registered images of Berea sandstone from x-ray and energy dispersive spectroscopy imagery suggested that quartz, K-feldspar and most clays could be identified. However, minor minerals such as albite and illite did not exhibit enough contrast. In Berea sandstone, mineral surface area fraction was poorly correlated to the mineral volumetric fraction. Clay and feldspar minerals exhibited higher surface area fractions than bulk mineralogy suggested. In contrast, in the Edwards carbonate samples, modal mineral composition correlated with mineral-specific surface area. Berea sandstone revealed a characteristic pore size at which a surface area distribution may be used to quantify heterogeneity. Conversely, the carbonate samples suggested a continuous range of pore sizes across length scales. A comparison with pore network model simulations from the literature was made. First order estimates of mineral specific correlations between geometric area measured in the x-ray images were used to convert the CT

  9. Comparison of iterative methods and preconditioners for the solution of miscible two-phase flow in heterogeneous porous media

    Science.gov (United States)

    Büsing, Henrik

    2014-05-01

    calculation of mutual solubilities from 12 to 100 °C and up to 600 bar, Geochimica et Cosmochimica Acta, 67(16), 3015-3031. [2] Huber, R. & Helmig, R., 2000. Node-centered finite volume discretizations for the numerical simulation of multiphase flow in heterogeneous porous media, Computational Geosciences, 4, 141-164. [3] Griewank, A. & Walther, A., 2008. Evaluating Derivatives: Principles and Techniques of Algorithmic Differentiation, SIAM, Philadelphia, PA, 2nd edn. [4] Büsing, H., Willkomm, J., Bischof, C. H., & Clauser, C., 2012. Using exact Jacobians in an implicit Newton method for solving multiphase flow in porous media, International Journal for Computational Science and Engineering, (to appear). [5] Pape, H., Clauser, C., & Iffland, J., 2000. Variation of permeability with porosity in sandstone diagenesis interpreted with a fractal pore space model, Pure and Applied Geophysics, 157, 603-619.

  10. Transport of Organic Oil Components from Immobile and Bypassed Oil in Heterogeneous Porous Media

    Energy Technology Data Exchange (ETDEWEB)

    Huseby, O.; Haugan, A.; Sagen, J.; Muller, J.; Bennett, B.; Larter, S.; Kikkinides, E.S.; Stubos, A.K.; Yousefian, F.; Thovert, J.-F.; Adler, P.M.

    2001-12-01

    An experimental study, as well as theoretical and numerical models, are used to validate a methodology to exploit conventional geochemical data with regard to the concentration profiles of organic components occurring naturally in hydrocarbon reservoir oils. The experiment was designed to study transport of organic compounds from immobile oil during water injection. A homogeneous oil-filled core sample was made heterogeneous by drilling a hole through its central axis and filling it with a highly permeable material. Under the present conditions, diffusion coefficients are the most important parameters controlling the transport, and the effect of partitioning could be accounted for by a simple normalization. The experimental results are well described by a simple 2-D analytical model which assumes instantaneous removal of solutes from the oil-water interface. The experimental results are also well described by two numerical models, of which one is a full featured reservoir scale model, suitable for applications of the methodology to reservoir scale cases. (author)

  11. Laboratory-scale in situ bioremediation in heterogeneous porous media: Biokinetics-limited scenario

    Science.gov (United States)

    Song, Xin; Hong, Eunyoung; Seagren, Eric A.

    2014-03-01

    Subsurface heterogeneities influence interfacial mass-transfer processes and affect the application of in situ bioremediation by impacting the availability of substrates to the microorganisms. However, for difficult-to-degrade compounds, and/or cases with inhibitory biodegradation conditions, slow biokinetics may also limit the overall bioremediation rate, or be as limiting as mass-transfer processes. In this work, a quantitative framework based on a set of dimensionless coefficients was used to capture the effects of the competing interfacial and biokinetic processes and define the overall rate-limiting process. An integrated numerical modeling and experimental approach was used to evaluate application of the quantitative framework for a scenario in which slow-biokinetics limited the overall bioremediation rate of a polycyclic aromatic hydrocarbon (naphthalene). Numerical modeling was conducted to simulate the groundwater flow and naphthalene transport and verify the system parameters, which were used in the quantitative framework application. The experiments examined the movement and biodegradation of naphthalene in a saturated, heterogeneous intermediate-scale flow cell with two layers of contrasting hydraulic conductivities. These experiments were conducted in two phases: Phase I, simulating an inhibited slow biodegradation; and Phase II, simulating an engineered bioremediation, with system perturbations selected to enhance the slow biodegradation rate. In Phase II, two engineered perturbations to the system were selected to examine their ability to enhance in situ biodegradation. In the first perturbation, nitrogen and phosphorus in excess of the required stoichiometric amounts were spiked into the influent solution to mimic a common remedial action taken in the field. The results showed that this perturbation had a moderate positive impact, consistent with slow biokinetics being the overall rate-limiting process. However, the second perturbation, which was to

  12. Laboratory-scale in situ bioremediation in heterogeneous porous media: biokinetics-limited scenario.

    Science.gov (United States)

    Song, Xin; Hong, Eunyoung; Seagren, Eric A

    2014-03-01

    Subsurface heterogeneities influence interfacial mass-transfer processes and affect the application of in situ bioremediation by impacting the availability of substrates to the microorganisms. However, for difficult-to-degrade compounds, and/or cases with inhibitory biodegradation conditions, slow biokinetics may also limit the overall bioremediation rate, or be as limiting as mass-transfer processes. In this work, a quantitative framework based on a set of dimensionless coefficients was used to capture the effects of the competing interfacial and biokinetic processes and define the overall rate-limiting process. An integrated numerical modeling and experimental approach was used to evaluate application of the quantitative framework for a scenario in which slow-biokinetics limited the overall bioremediation rate of a polycyclic aromatic hydrocarbon (naphthalene). Numerical modeling was conducted to simulate the groundwater flow and naphthalene transport and verify the system parameters, which were used in the quantitative framework application. The experiments examined the movement and biodegradation of naphthalene in a saturated, heterogeneous intermediate-scale flow cell with two layers of contrasting hydraulic conductivities. These experiments were conducted in two phases: Phase I, simulating an inhibited slow biodegradation; and Phase II, simulating an engineered bioremediation, with system perturbations selected to enhance the slow biodegradation rate. In Phase II, two engineered perturbations to the system were selected to examine their ability to enhance in situ biodegradation. In the first perturbation, nitrogen and phosphorus in excess of the required stoichiometric amounts were spiked into the influent solution to mimic a common remedial action taken in the field. The results showed that this perturbation had a moderate positive impact, consistent with slow biokinetics being the overall rate-limiting process. However, the second perturbation, which was to

  13. Numerical study of compositional compressible degenerate two-phase flow in saturated–unsaturated heterogeneous porous media

    KAUST Repository

    Saad, Ali S.

    2016-01-02

    We study the convergence of a combined finite volume-nonconforming finite element scheme on general meshes for a partially miscible two-phase flow model in anisotropic porous media. This model includes capillary effects and exchange between the phases. The diffusion term, which can be anisotropic and heterogeneous, is discretized by piecewise linear nonconforming triangular finite elements. The other terms are discretized by means of a cell-centered finite volume scheme on a dual mesh. The relative permeability of each phase is decentered according to the sign of the velocity at the dual interface. The convergence of the scheme is proved thanks to an estimate on the two pressures which allows to show estimates on the discrete time and compactness results in the case of degenerate relative permeabilities. A key point in the scheme is to use particular averaging formula for the dissolution function arising in the diffusion term. We show also a simulation of hydrogen production in nuclear waste management. Numerical results are obtained by in-house numerical code. © 2015 Elsevier Ltd.

  14. Bayesian uncertainty quantification for flows in heterogeneous porous media using reversible jump Markov chain Monte Carlo methods

    KAUST Repository

    Mondal, A.

    2010-03-01

    In this paper, we study the uncertainty quantification in inverse problems for flows in heterogeneous porous media. Reversible jump Markov chain Monte Carlo algorithms (MCMC) are used for hierarchical modeling of channelized permeability fields. Within each channel, the permeability is assumed to have a lognormal distribution. Uncertainty quantification in history matching is carried out hierarchically by constructing geologic facies boundaries as well as permeability fields within each facies using dynamic data such as production data. The search with Metropolis-Hastings algorithm results in very low acceptance rate, and consequently, the computations are CPU demanding. To speed-up the computations, we use a two-stage MCMC that utilizes upscaled models to screen the proposals. In our numerical results, we assume that the channels intersect the wells and the intersection locations are known. Our results show that the proposed algorithms are capable of capturing the channel boundaries and describe the permeability variations within the channels using dynamic production history at the wells. © 2009 Elsevier Ltd. All rights reserved.

  15. Adaptive Mesh Refinement for a Finite Volume Method for Flow and Transport of Radionuclides in Heterogeneous Porous Media

    Directory of Open Access Journals (Sweden)

    Amaziane Brahim

    2014-07-01

    Full Text Available In this paper, we consider adaptive numerical simulation of miscible displacement problems in porous media, which are modeled by single phase flow equations. A vertex-centred finite volume method is employed to discretize the coupled system: the Darcy flow equation and the diffusion-convection concentration equation. The convection term is approximated with a Godunov scheme over the dual finite volume mesh, whereas the diffusion-dispersion term is discretized by piecewise linear conforming finite elements. We introduce two kinds of indicators, both of them of residual type. The first one is related to time discretization and is local with respect to the time discretization: thus, at each time, it provides an appropriate information for the choice of the next time step. The second is related to space discretization and is local with respect to both the time and space variable and the idea is that at each time it is an efficient tool for mesh adaptivity. An error estimation procedure evaluates where additional refinement is needed and grid generation procedures dynamically create or remove fine-grid patches as resolution requirements change. The method was implemented in the software MELODIE, developed by the French Institute for Radiological Protection and Nuclear Safety (IRSN, Institut de Radioprotection et de Sûreté Nucléaire. The algorithm is then used to simulate the evolution of radionuclide migration from the waste packages through a heterogeneous disposal, demonstrating its capability to capture complex behavior of the resulting flow.

  16. Numerical research on the anisotropic transport of thermal neutron in heterogeneous porous media with micron X-ray computed tomography

    Science.gov (United States)

    Wang, Yong; Yue, Wenzheng; Zhang, Mo

    2016-06-01

    The anisotropic transport of thermal neutron in heterogeneous porous media is of great research interests in many fields. In this paper, it is the first time that a new model based on micron X-ray computed tomography (CT) has been proposed to simultaneously consider both the separation of matrix and pore and the distribution of mineral components. We apply the Monte Carlo method to simulate thermal neutrons transporting through the model along different directions, and meanwhile detect those unreacted thermal neutrons by an array detector on the other side of the model. Therefore, the anisotropy of pore structure can be imaged by the amount of received thermal neutrons, due to the difference of rock matrix and pore-filling fluids in the macroscopic reaction cross section (MRCS). The new model has been verified by the consistent between the simulated data and the pore distribution from X-ray CT. The results show that the evaluation of porosity can be affected by the anisotropy of media. Based on the research, a new formula is developed to describe the correlation between the resolution of array detectors and the quality of imaging. The formula can be further used to analyze the critical resolution and the suitable number of thermal neutrons emitted in each simulation. Unconventionally, we find that a higher resolution cannot always lead to a better image.

  17. Multi-rate mass transfer modeling of two-phase flow in highly heterogeneous fractured and porous media

    CERN Document Server

    Tecklenburg, Jan; Carrera, Jesus; Dentz, Marco

    2016-01-01

    We study modeling of two-phase flow in highly heterogeneous fractured and porous media. The flow behaviour is strongly influenced by mass transfer between a highly permeable (mobile) fracture domain and less permeable (immobile) matrix blocks. We quantify the effective two-phase flow behaviour using a multirate rate mass transfer (MRMT) approach. We discuss the range of applicability of the MRMT approach in terms of the pertinent viscous and capillary diffusion time scales. We scrutinize the linearization of capillary diffusion in the immobile regions, which allows for the formulation of MRMT in the form of a non-local single equation model. The global memory function, which encodes mass transfer between the mobile and the immobile regions, is at the center of this method. We propose two methods to estimate the global memory function for a fracture network with given fracture and matrix geometry. Both employ a scaling approach based on the known local memory function for a given immobile region. With the firs...

  18. Metal Transport and Chemical Heterogeneity in Early Star Forming Systems

    CERN Document Server

    Ritter, Jeremy S; Safranek-Shrader, Chalence; Milosavljevic, Milos; Bromm, Volker

    2014-01-01

    To constrain the properties of the first stars with the chemical abundance patterns observed in metal-poor stars, one must identify any non-trivial effects that the hydrodynamics of metal dispersal can imprint on the abundances. We use realistic cosmological hydrodynamic simulations to quantify the distribution of metals resulting from one Population III supernova and from a small number of such supernovae. Overall, supernova ejecta remain highly inhomogeneous throughout the simulations. When the supernova bubbles collapse, quasi-virialized metal-enriched clouds, fed by fallback from the bubbles and by streaming of metal-free gas from the cosmic web, grow in the centers of the dark matter halos. Partial turbulent homogenization on scales resolved in the simulation is observed in the clouds, and the vortical time scales are short enough to ensure true homogenization on subgrid scales. However, the abundances in the clouds differ from the gross yields of the supernovae. Continuing the simulations until the clou...

  19. Structural and light-emission modification in chemically-etched porous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Navarro-Urrios, D.; Oton, C.J. [Departamento de Fisica Basica, University of La Laguna, Avda. Astrofisico Fco. Sanchez, La Laguna (Spain); INFM and Dipartimento di Fisica, University of Trento, Via Sommarive 14, Povo, Trento (Italy); Perez-Padron, C.; Lorenzo, E.; Capuj, N.E. [Departamento de Fisica Basica, University of La Laguna, Avda. Astrofisico Fco. Sanchez, La Laguna (Spain); Gaburro, Z.; Pavesi, L. [INFM and Dipartimento di Fisica, University of Trento, Via Sommarive 14, Povo, Trento (Italy)

    2005-06-01

    After electrochemical etching, we have made a study of the effects generated on p{sup +}-type porous silicon layers when they are left in presence of the electrolyte for different post-etching times. Using an interferometric technique, we have monitored the change of its porosity during the post-etch process due to a chemical dissolution mechanism. These data are complemented with a study of photoluminescence and transmission electron microscopy measurements for different post-etching times. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Experimental investigation on front morphology for two-phase flow in heterogeneous porous media

    Science.gov (United States)

    Heiß, V. I.; Neuweiler, I.; Ochs, S.; FäRber, A.

    2011-10-01

    In this work, we studied the influence of heterogeneities, fluid properties, and infiltration rates on front morphology during two-phase flow. In our experiments, a sand box, 40 cm × 60 cm × 1.2 cm, was packed with two different structures (either random or periodic) composed of 25% coarse material and 75% fine material. The infiltration process was characterized by the capillary number, Ca, and the viscosity ratio, M, between the fluids. The displacing and the displaced fluid had the same densities, such that gravity effects could be neglected. Similar to the pore scale, the stability of the front depends on the relation between M and Ca. However, on the scale under study, depending on the structure, zones of immobilized wetting fluid developed during drainage. The lifetime of these zones depended on the flow regime. Here we show that immobilized zones have an influence on the length of the transition zone, which could lead to a different time behavior than for that of the front width.

  1. Movement and Remediation of a Volatile, Multicomponent DNAPL in a Variably-Saturated, Heterogeneous Porous Medium

    Science.gov (United States)

    Oostrom, M.; Dane, J. H.; Wietsma, T. W.

    2004-12-01

    An intermediate-scale flow cell experiment was conducted to study the behavior of a multicomponent DNAPL at structural interfaces and subsequent remediation using two different forms of the soil vapor extraction (SVE) technique. The flow cell (100-cm long, 5-cm wide, and 80 cm high), was packed under saturated conditions with sloped layers of Hanford silt and coarse sand, embedded in a matrix of a medium-grained laboratory sand. After packing, the water table was lowered to 2 cm above the bottom of the flow cell to establish variably saturated conditions. A finite amount of a volatile multicomponent DNAPL, mimicking the organic liquid disposed at the Hanford Site, was then injected from a small source zone. The infiltration and redistribution processes were visually recorded. In addition, a dual-energy gamma radiation system was used to determine DNAPL and water saturation at more than 1000 locations. Results indicate that lateral spreading of the DNAPL is greatly enhanced by the heterogeneities. The silt layers, by virtue of their substantial non-wetting fluid entry pressures and high water saturations, completely diverted the DNAPL laterally. The relatively dry coarse-sand layers forced some of the DNAPL to move laterally but also allowed some infiltration.

  2. Development of Methods for Obtaining Position Image and Chemical Binding Information from Flow Experiments of Porous Media

    Energy Technology Data Exchange (ETDEWEB)

    Haugan, Are

    1998-12-01

    Existing oil reservoirs might be more fully exploited if the properties of the flow of oil and water in porous media were better known. In laboratory experiments it is important to collect as much information as possible to make a descriptive model of the system, including position imaging and chemical binding information. This thesis develops nuclear methods for obtaining position image and chemical binding information from flow experiments of porous media. A combined positron emission tomography and single photon emission computed tomography system to obtain position images, and a time-differential perturbed angular correlation system to obtain chemical binding information, have been built and thoroughly tested. 68 refs., 123 figs., 14 tabs.

  3. Nano-hydroxyapatite colloid suspension coated on chemically modified porous silicon by cathodic bias: a suitable surface for cell culture

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez, Alejandra [Escuela de Quimica, Universidad de Costa Rica, 2060 (Costa Rica); Centro de Electroquimica y Energia Quimica de la Universidad de Costa Rica (CELEQ), Universidad de Costa Rica, 2060 (Costa Rica); Gonzalez, Jerson [Escuela de Quimica, Universidad de Costa Rica, 2060 (Costa Rica); Garcia-Pineres, Alfonso [Escuela de Quimica, Universidad de Costa Rica, 2060 (Costa Rica); Centro de Investigacion en Biologia Celular y Molecular (CIBCM), Universidad de Costa Rica, 2060 (Costa Rica); Montero, Mavis L. [Escuela de Quimica, Universidad de Costa Rica, 2060 (Costa Rica); Centro de Electroquimica y Energia Quimica de la Universidad de Costa Rica (CELEQ), Universidad de Costa Rica, 2060 (Costa Rica); Centro de Ciencia e Ingenieria en Materiales (CICIMA), Universidad de Costa Rica, 2060 (Costa Rica)

    2011-06-15

    The properties of porous silicon make it an interesting material for biological applications. However, porous silicon is not an appropriate surface for cell growth. Surface modification is an alternative that could afford a bioactive material. In this work, we report a method to yield materials by modification of the porous silicon surface with hydroxyapatite of nanometric dimensions, produced using an electrochemical process and coated on macroporous silicon substrates by cathodic bias. The chemical nature of the calcium phosphate deposited on the substrates after the experimental process and the amount of cell growth on these surfaces were characterized. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. Investigating the influence of subsurface heterogeneity on chemical weathering in the critical zone using high resolution reactive transport models

    Science.gov (United States)

    Pandey, S.; Rajaram, H.

    2014-12-01

    The critical zone (CZ) represents a major life-sustaining realm of the terrestrial surface. The processes controlling the development and transformation of the CZ are important to continued health of the planet as human influence continues to grow. The CZ encompasses the shallow subsurface, a region of reaction, unsaturated flow, and transport. Chemical weathering in the subsurface is one of the important processes involved in the formation and functioning of the CZ. We present two case studies of reactive transport modeling to investigate the influence of subsurface heterogeneity and unsaturated flow on chemical weathering processes in the CZ. The model is implemented using the reactive transport code PFLOTRAN. Heterogeneity in subsurface flow is represented using multiple realizations of conductive fracture networks in a hillslope cross-section. The first case study is motivated by observations at the Boulder Creek Critical Zone Observatory (BCCZO) including extensive hydrologic and geochemical datasets. The simulations show that fractures greatly enhance weathering as compared to a homogeneous porous medium. Simulations of north-facing slope hydrology with prolonged snowmelt pulses also increases weathering rates, showing the importance of slope aspect on weathering intensity. Recent work elucidates deteriorating water quality caused by climate change in the CZ of watersheds where acid rock drainage (ARD) occurs. The more complex reactions of ARD require a customized kinetic reaction module with PFLOTRAN. The second case study explores the mechanisms by which changes in hydrologic forcing, air and ground temperatures, and water table elevations influence ARD. For instance, unreacted pyrite exposed by a water table drop was shown to produce a 125% increase in annual pyrite oxidization rate, which provides one explanation for increased ARD.

  5. S-to-P heterogeneity ratio in the lower mantle and thermo-chemical implications

    Science.gov (United States)

    Tesoniero, Andrea; Cammarano, Fabio; Boschi, Lapo

    2016-07-01

    We evaluate the thermo-chemical state of the lower mantle by analysing the differences in the pattern of heterogeneity between shear and compressional velocity variations and the S-to-P heterogeneity ratio (RS/P=δlnVS/δlnVP) as mapped in our model SPani and in alternative joint models. Robust structural differences between VP and VS evidence the presence of compositional heterogeneity within the two Large Low Shear Velocity Provinces (LLSVPs). We find also an increasing decorrelation with depth that can be associated with compositional layering of the LLSVPs. In addition, our model shows heterogeneity in the transition zone and mid mantle by complex morphology of subducting slabs and further differences between VP and VS that point to an unexpected heterogeneous lower mantle. Precise estimates of compositional heterogeneities are not yet affordable because of the difficulty to provide quantitative measure of RS/P, making it difficult to use this ratio to evaluate chemical heterogeneity. For instance, RS/P global median value () drops from ˜2.8 to ˜1.9, at 2500 km depth when the VP component of SPani is replaced by a VP model resulting from a differently regularized inversion and obtaining an equally good data fit. An increase of 20% of the SPani VP anomalies also drastically reduces without significantly degrading the data fit. Noise in model parameters also leads to overestimate RS/P in the two LLSVPs as we show with synthetic tests. Additional mineral physics uncertainties for compositional effects on RS/P and for the conversion of δlnVS and δlnVP into density further complicates a precise chemical interpretation.

  6. Heat and Moisture Transport in Unsaturated Porous Media -- A Coupled Model in Terms of Chemical Potential

    CERN Document Server

    Sullivan, Eric

    2013-01-01

    Transport phenomena in porous media are commonplace in our daily lives. Examples and applications include heat and moisture transport in soils, baking and drying of food stuffs, curing of cement, and evaporation of fuels in wild fires. Of particular interest to this study are heat and moisture transport in unsaturated soils. Historically, mathematical models for these processes are derived by coupling classical Darcy's, Fourier's, and Fick's laws with volume averaged conservation of mass and energy and empirically based source and sink terms. Recent experimental and mathematical research has proposed modifications and suggested limitations in these classical equations. The primary goal of this thesis is to derive a thermodynamically consistent system of equations for heat and moisture transport in terms of the chemical potential that addresses some of these limitations. The physical processes of interest are primarily diffusive in nature and, for that reason, we focus on using the macroscale chemical potentia...

  7. Effects of grain size and structural heterogeneity on the transport and retention of nano-TiO2 in saturated porous media.

    Science.gov (United States)

    Lv, Xueyan; Gao, Bin; Sun, Yuanyuan; Dong, Shunan; Wu, Jichun; Jiang, Beilei; Shi, Xiaoqing

    2016-09-01

    Accurately predicting the fate and transport of nano-TiO2 in porous media is critical to assess its environmental impact. This study was designed to understand the effects of gain size and structural heterogeneity under different ionic strength (IS) on the fate and transport of nano-TiO2 in saturated porous media. In the columns packed homogenously with sand of different grain sizes (920, 550, 390, and 275μm), the transport of nano-TiO2 decreased when the IS increased from 0.1 to 1 or 10mM. For all the three IS conditions, the retention of the nano-TiO2 particles in the columns increased when the gain size decreased, and the mobility of the nano-TiO2 was the lowest in the sand at size of 275μm with recovery rates of 0.30% to 1.72%. The mass recovery rates of TiO2 in other homogeneous columns were higher and ranged from 0.37% to 59.9%. Structural heterogeneity created two flow domains for the retention and transport of nano-TiO2 particles in the saturated porous media. The fast-flow domain dominated the flow and transport processes of the nano-TiO2 in the heterogeneous columns under the tested conditions. As a result, the transport of nano-TiO2 in the heterogeneous porous media was faster and higher than that in the homogeneous columns under similar experimental conditions. Because of the dominance of the fast-flow domain, the recovery rates of the nano-TiO2 in the heterogeneous columns were similar and ranged from 59.8% to 66.9%. These results reflected the importance of preferential flow to the fate and transport of nano-TiO2 particle in porous media. Simulations from a two-domain model matched the experimental breakthrough curves very well.

  8. Internal Domains of Natural Porous Media Revealed: Critical Locations for Transport, Storage, and Chemical Reaction

    Energy Technology Data Exchange (ETDEWEB)

    Zachara, John M.; Brantley, Susan L.; Chorover, Jon D.; Ewing, Robert P.; Kerisit, Sebastien N.; Liu, Chongxuan; Perfect, E.; Rother, Gernot; Stack, Andrew G.

    2016-03-16

    Internal pore domains exist within rocks, lithic fragments, subsurface sediments and soil aggregates. These domains, which we term internal domains in porous media (IDPM), contain a significant fraction of their porosity as nanopores, dominate the reactive surface area of diverse porous media types, and are important locations for chemical reactivity and hydrocarbon storage. Traditionally difficult to interrogate, advances in instrumentation and imaging methods are providing new insights on the physical structures and chemical attributes of IDPM. In this review we: discuss analytical methods to characterize IDPM, evaluate what has been learned about their size distributions, connectivity, and extended structures; determine whether they exhibit unique chemical reactivity; and assess potential for their inclusion in reactive transport models. Three key findings are noteworthy. 1) A combination of methods now allows complete characterization of the porosity spectrum of natural materials and its connectivity; while imaging microscopies are providing three dimensional representations of the interconnected pore network. 2) Chemical reactivity in pores <10 nm is expected to be different from micro and macropores, yet research performed to date is inconclusive on the nature, direction, and magnitude of effect. 3) Existing continuum reactive transport models treat IDPM as a sub-grid feature with average, empirical, scale-dependent parameters; and are not formulated to include detailed information on pore networks. Overall we find that IDPM are key features controlling hydrocarbon release from shales in hydrofracking systems, organic matter stabilization and recalcitrance in soil, weathering and soil formation, and long term inorganic and organic contaminant behavior in the vadose zone and groundwater. We conclude with an assessment of impactful research opportunities to advance understanding of IDPM, and to incorporate their important effects in reactive transport models

  9. Chemical nano-heterogeneities detection by contact angle hysteresis: theoretical feasibility.

    Science.gov (United States)

    Bittoun, Eyal; Marmur, Abraham

    2010-10-19

    The theoretical feasibility of detecting chemical nanoheterogeneities on solid surfaces by measurement of contact angle hysteresis (CAH) was studied, using simplified models of cylindrical (2D) and axisymmetric (3D) drops on corresponding models of chemically heterogeneous, smooth solid surfaces. This feasibility depends on the ratio between the external energy input to the drop and the energies needed to deform its liquid-gas interface and move the contact line across energy barriers. A ubiquitous source of external energy is building vibrations, since most contact-angle measurements are done in buildings. The energy barriers that oppose the motion of the contact line were numerically calculated for various parameters of the two systems. The variations of the liquid-gas interfacial energy are discussed in terms of orders of magnitude. By comparing these energies, it is concluded that under regular ("barely perceptible") building vibrations CAH measurements may detect chemical heterogeneities at the few nanometers scale.

  10. Porous wall hollow glass microsphere as an optical microresonator for chemical vapor detection

    Science.gov (United States)

    Wang, Hanzheng; Yuan, Lei; Kim, Cheol-Woon; Pienkowski, Edward; Xiao, Hai

    2012-02-01

    Optical microresonators have been proven effective for developing sensitive chemical and biological sensors by monitoring the changes in refractive index or mass near the resonator surface. The rotationally symmetric structures support high quality (Q) whispering gallery modes (WGMs) that interact with the local environment through the evanescent field. The long photon lifetime of the high-Q resonator (thus the long light-material interaction path) is the key reason that a microresonator can achieve very high sensitivity in detection. In this paper, we present our recent research on using porous wall hollow glass microsphere (PW-HGM) as an optical microresonator for chemical vapor detection. The diameter of the PW-HGM ranges from 10μm to 100μm. The wall thickness is about 2μm and the pore size is about 20nm. The Q-factors and free spectrum ranges (FSR) of PW-HGMs were measured by coupling light into the PW-HGM using a single mode fiber taper. Various types of chemical vapors were used to characterize the PW-HGM resonator. The resonant wavelength shift was measured as a function of vapor concentration. Comparisons between a PW-HGM and a solid glass microsphere indicated that a PW-HGM can effectively adsorb vapor molecules into its nanosized pores, providing a direct and long light-material interaction path for significant sensitivity enhancement for chemical vapor detection.

  11. MS-2 and poliovirus transport in porous media: Hydrophobic effects and chemical perturbations

    Science.gov (United States)

    Bales, Roger C.; Li, Shimin; Maguire, Kimberly M.; Yahya, Moyasar T.; Gerba, Charles P.

    1993-04-01

    In a series of pH 7 continuous-flow column experiments, removal of the bacteriophage MS-2 by attachment to silica beads had a strong, systematic dependence on the amount of hydrophobic surface present on the beads. With no hydrophobic surface, removal of phage at pH 5 was much greater than at pH 7. Release of attached phage at both pH values did occur, but was slow; breakthrough curves exhibited tailing. Poliovirus attached to silica beads at pH 5.5 much more than at pH 7.0, and attachment was also slowly reversible. Time scales for phage and poliovinis attachment were of the order of hours. The sticking efficiency factor (α), reflecting microscaie physicochemical influences on virus attachment, was in the range of 0.0007-0.02. Phage release was small but measurable under steady state conditions. Release was enhanced by lowering ionic strength and by introducing beef extract, a high-ionic-strength protein solution. Results show that viruses experience reversible attachment/detachment (sometimes termed sorption), that large chemical perturbations are needed to induce rapid virus detachment, and that viruses should be quite mobile in sandy porous media. Even small amounts of hydrophobic organic material in the porous media (≥0.001%) can retard virus transport.

  12. Numerical modeling of 1D heterogeneous combustion in porous media under free convection taking into account dependence of permeability on porosity

    Science.gov (United States)

    Lutsenko, N. A.

    2016-06-01

    Using numerical experiment the one-dimensional unsteady process of heterogeneous combustion in porous object under free convection is considered when the dependence of permeability on porosity is taken into account. The combustion is due to exothermic reaction between the fuel in the solid porous medium and oxidizer contained in the gas flowing through the porous object. In the present work the process is considered under natural convection, i.e. when the flow rate and velocity of the gas at the inlet to the porous objects are unknown, but the gas pressure at object boundaries is known. The influence of changing of permeability due to the changing of porosity on the solution is investigated using original numerical method, which is based on a combination of explicit and implicit finite-difference schemes. It was shown that taking into account the dependence of permeability on porosity, which is described by some known equations, can significantly change the solution in one-dimensional case. The changing of permeability due to the changing of porosity leads to the speed increasing of both cocurrent and the countercurrent combustion waves, and to the temperature increasing in the combustion zone of countercurrent combustion wave.

  13. Wet Chemical Synthesis and Screening of Thick Porous Oxide Films for Resistive Gas Sensing Applications

    Directory of Open Access Journals (Sweden)

    Wilhelm F. Maier

    2006-11-01

    Full Text Available A method of wet chemical synthesis suitable for high throughput and combinatorial applications has been developed for the synthesis of porous resistive thick-film gas sensors. This method is based on the robot-controlled application of unstable metal oxide suspensions on an array of 64 inter-digital electrodes positioned on an Al2O3 substrate. SnO2, WO3, ZrO2, TiO2, CeO2, In2O3 and Bi2O3 were chosen as base oxides, and were optimised by doping or mixed oxide formation. The parallel synthesis of mixed oxide sensors is illustrated by representative examples. The electrical characteristics and the sensor performance of the films were measured by high-throughput impedance spectroscopy while supplying various test gases (H2, CO, NO, NO2, propene. Data collection, data mining techniques applied and the best potential sensor materials discovered are presented.

  14. Radiation and chemical reaction effects on MHD flow along a moving vertical porous plate

    Directory of Open Access Journals (Sweden)

    Ramana Reddy G.V.

    2016-02-01

    Full Text Available This paper presents an analysis of the effects of magnetohydrodynamic force and buoyancy on convective heat and mass transfer flow past a moving vertical porous plate in the presence of thermal radiation and chemical reaction. The governing partial differential equations are reduced to a system of self-similar equations using the similarity transformations. The resultant equations are then solved numerically using the fourth order Runge-Kutta method along with the shooting technique. The results are obtained for the velocity, temperature, concentration, skin-friction, Nusselt number and Sherwood number. The effects of various parameters on flow variables are illustrated graphically, and the physical aspects of the problem are discussed.

  15. Chemical reaction effect on MHD free convective surface over a moving vertical plate through porous medium

    Directory of Open Access Journals (Sweden)

    R.S. Tripathy

    2015-09-01

    Full Text Available An attempt has been made to study the heat and mass transfer effect in a boundary layer flow of an electrically conducting viscous fluid subject to transverse magnetic field past over a moving vertical plate through porous medium in the presence of heat source and chemical reaction. The governing non-linear partial differential equations have been transformed into a two-point boundary value problem using similarity variables and then solved numerically by fourth order Runge–Kutta fourth order method with shooting technique. Graphical results are discussed for non-dimensional velocity, temperature and concentration profiles while numerical values of the skin friction, Nusselt number and Sherwood number are presented in tabular form for various values of parameters controlling the flow system.

  16. Manipulated electromagnetic losses by integrating chemically heterogeneous components in Fe-based core/shell architecture

    Science.gov (United States)

    Huang, Hao; Zhang, Xue-Feng; Lv, Bo; Xue, Fang-Hong; Shah, Asif; Su, Lei; Yan, Jing-Guo; Yao, Man; Dong, Xing-Long

    2013-02-01

    Existing techniques for stabilizing and functionalizing metal nanostructures required precise control of complex procedures and probably introduce undesirable impurities. We herein report an arc-discharge chemical vapor deposition strategy for the synthesis of chemically heterogeneous core/shell metal/oxide nanocapsules Fe/TiFe2O4, Fe/MnFe2O4, and Fe/Al2O3. A universal formation mechanism based on the co-effect of oxygen potential and surface energy is further proposed, derived from fundamental thermodynamics. Such core/shell nanocapsules, integrated with tunable components, present an effective manipulability of microwave absorption at expected frequency, originating from the various dielectric behaviors of the heterogeneous oxide shells.

  17. Faradiac Impedance of a Heterogeneous Chemical Reaction and an Adsorption Process

    OpenAIRE

    2015-01-01

    The electrochemical behaviour of stainless steel 302 has been investigated in 0.10 M K2SO4 solution using the impedance technique at several anodic potentials. Stainless steel 302 is passive up to 1300 mV, due to the main formation of Cr2O3. Above this potential stainless steel became active. Faradiac impedances of a heterogeneous chemical reaction and an adsorption process were discussed.

  18. Preparation of porous bio-char and activated carbon from rice husk by leaching ash and chemical activation.

    Science.gov (United States)

    Ahiduzzaman, Md; Sadrul Islam, A K M

    2016-01-01

    Preparation porous bio-char and activated carbon from rice husk char study has been conducted in this study. Rice husk char contains high amount silica that retards the porousness of bio-char. Porousness of rice husk char could be enhanced by removing the silica from char and applying heat at high temperature. Furthermore, the char is activated by using chemical activation under high temperature. In this study no inert media is used. The study is conducted at low oxygen environment by applying biomass for consuming oxygen inside reactor and double crucible method (one crucible inside another) is applied to prevent intrusion of oxygen into the char. The study results shows that porous carbon is prepared successfully without using any inert media. The adsorption capacity of material increased due to removal of silica and due to the activation with zinc chloride compared to using raw rice husk char. The surface area of porous carbon and activated carbon are found to be 28, 331 and 645 m(2) g(-1) for raw rice husk char, silica removed rice husk char and zinc chloride activated rice husk char, respectively. It is concluded from this study that porous bio-char and activated carbon could be prepared in normal environmental conditions instead of inert media. This study shows a method and possibility of activated carbon from agro-waste, and it could be scaled up for commercial production.

  19. Nanofiltration and sensing of picomolar chemical residues in aqueous solution using an optical porous resonator in a microelectrofluidic channel

    Science.gov (United States)

    Huang, Lei; Guo, Zhixiong

    2012-02-01

    For the first time the use of a porous microresonator placed in a microelectrofluidic system for integrated functions of nanofiltration and sensing of small biomolecules and chemical analytes in extremely dilute solution was proposed and investigated. As an example, aminoglycosides in drug residues in food and livestock products were considered as the trace chemical analyte. The filtration process of the charged analyte in aqueous solution driven by an applied electrical field and the accompanying optical whispering-gallery modes in the resonator are modeled. The dynamic process of adsorption and desorption of the analyte onto the porous matrix is studied. Deposition of the analyte inside the porous structure will alter the material refractive index of the resonator, and thus induce an optical resonance frequency shift. By measuring the optical frequency shift, the analyte concentration as well as the absorption/desorption process can be analyzed. Through an intensive numerical study, a correlation between the frequency shift and the analyte concentration and the applied electrical voltage gradient was obtained. This reveals a linear relationship between the resonance frequency shift and the analyte concentration. The applied electrical voltage substantially enhances the filtration capability and the magnitude of the optical frequency shift, pushing the porous resonator-based sensor to function at the extremely dilute picomolar concentration level for small bio/chemical molecules down to the sub-nanometer scale. Moreover, use of the second-order whispering-gallery mode is found to provide better sensitivity compared with the first-order mode.

  20. Local chemical potentials and pressures in heterogeneous systems: Adsorptive, absorptive, interfaces

    Science.gov (United States)

    Tovbin, Yu. K.

    2016-07-01

    Equations self-consistently describing chemical and mechanical equilibria in heterogeneous systems are derived. The equations are based on the lattice gas model using discrete distributions of molecules in space (on a scale comparable to molecular size) and continuum distributions of molecules (at short distances inside the cells) during their translational and vibrational motions. It is shown that the theory provides a unified description of the equilibrium distributions of molecules in three aggregate states and at their interfaces. Potential functions of intermolecular interactions (such as Mie pair potentials) in several coordination spheres that determine the compressibility of the lattice structure are considered. For simplicity, it is assumed that differences between the sizes of mixture components are small. Expressions for the local components of the pressure tensor inside multicomponent solid phases and heterogeneous systems (adsorptive, absorptive, and interfaces) are obtained. It is established that they can be used to calculate the lattice parameters of deforming phases and the thermodynamic characteristics of interfaces, including surface tension. The tensor nature of the chemical potential in heterogeneous systems is discussed.

  1. Electrochemical metal speciation analysis of chemically heterogeneous samples: the outstanding features of stripping chronopotentiometry at scanned deposition potential

    NARCIS (Netherlands)

    Leeuwen, van H.P.; Town, R.M.

    2003-01-01

    The application of depletive stripping chronopotentiometry at scanned deposition potential (SSCP) to metal ion speciation analysis of chemically heterogeneous complex systems is described. In this electroanalytical stripping technique, metal which is accumulated in the electrode during the depositio

  2. An improved design of TRISO particle with porous SiC inner layer by fluidized bed-chemical vapor deposition

    Science.gov (United States)

    Liu, Rongzheng; Liu, Malin; Chang, Jiaxing; Shao, Youlin; Liu, Bing

    2015-12-01

    Tristructural-isotropic (TRISO) particle has been successful in high temperature gas cooled reactor (HTGR), but an improved design is required for future development. In this paper, the coating layers are reconsidered, and an improved design of TRISO particle with porous SiC inner layer is proposed. Three methods of preparing the porous SiC layer, called high methyltrichlorosilane (MTS) concentration method, high Ar concentration method and hexamethyldisilane (HMDS) method, are experimentally studied. It is indicated that porous SiC layer can be successfully prepared and the density of SiC layer can be adjusted by tuning the preparation parameters. Microstructure and characterization of the improved TRISO coated particle are given based on scanning electron microscope (SEM), X-ray diffraction (XRD), Raman scattering and energy dispersive X-ray (EDX) analysis. It can be found that the improved TRISO coated particle with porous SiC layer can be mass produced successfully. The formation mechanisms of porous SiC layer are also discussed based on the fluidized bed-chemical vapor deposition principle.

  3. Strategies for the chemical analysis of highly porous bone scaffolds using secondary ion mass spectrometry.

    Science.gov (United States)

    Wang, Daming; Poologasundarampillai, Gowsihan; van den Bergh, Wouter; Chater, Richard J; Kasuga, Toshihiro; Jones, Julian R; McPhail, David S

    2014-02-01

    Understanding the distribution of critical elements (e.g. silicon and calcium) within silica-based bone scaffolds synthesized by different methods is central to the optimization of these materials. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) has been used to determine this information due to its very high surface sensitivity and its ability to map all the elements and compounds in the periodic table with high spatial resolution. The SIMS image data can also be combined with depth profiles to construct three-dimensional chemical maps. However, the scaffolds have interconnected pore networks, which are very challenging structures for the SIMS technique. To overcome this problem two experimental methodologies have been developed. The first method involved the use of the focused ion beam technique to obtain clear images of the regions of interest and subsequently mark them by introducing fiducial marks; the samples were then analysed using the ToF-SIMS technique to yield the chemical analyses of the regions of interest. The second method involved impregnating the pores using a suitable reagent so that a flat surface could be achieved, and this was followed by secondary ion mapping and 3D chemical imaging with ToF-SIMS. The samples used in this work were sol-gel 70S30C foam and electrospun fibres and calcium-containing silica/gelatin hybrid scaffolds. The results demonstrate the feasibility of both these experimental methodologies and indicate that these methods can provide an opportunity to compare various artificial bone scaffolds, which will be of help in improving scaffold synthesis and processing routes. The techniques are also transferable to many other types of porous material.

  4. Environmentally induced chemical and morphological heterogeneity of zinc oxide thin films

    Science.gov (United States)

    Jiang, Hua; Chou, Kang Wei; Petrash, Stanislas; Williams, Garth; Thieme, Juergen; Nykypanchuk, Dmytro; Li, Li; Muto, Atsushi; Chen-Wiegart, Yu-chen Karen

    2016-08-01

    Zinc oxide (ZnO) thin films have been reported to suffer from degradation in electrical properties, when exposed to elevated heat and humidity, often leading to failures of electronic devices containing ZnO films. This degradation appears to be linked to water and oxygen penetration into the ZnO film. However, a direct observation in the ZnO film morphological evolution detailing structural and chemical changes has been lacking. Here, we systematically investigated the chemical and morphological heterogeneities of ZnO thin films caused by elevated heat and humidity, simulating an environmental aging. X-ray fluorescence microscopy, X-ray absorption spectroscopy, grazing incidence small angle and wide angle X-ray scattering, scanning electron microscopy (SEM), ultra-high-resolution SEM, and optical microscopy were carried out to examine ZnO and Al-doped ZnO thin films on two different substrates—silicon wafers and flexible polyethylene terephthalate (PET) films. In the un-doped ZnO thin film, the simulated environmental aging is resulting in pin-holes. In the Al-doped ZnO thin films, significant morphological changes occurred after the treatment, with an appearance of platelet-shaped structures that are 100-200 nm wide by 1 μm long. Synchrotron x-ray characterization further confirmed the heterogeneity in the aged Al-doped ZnO, showing the formation of anisotropic structures and disordering. X-ray diffraction and X-ray absorption spectroscopy indicated the formation of a zinc hydroxide in the aged Al-doped films. Utilizing advanced characterization methods, our studies provided information with an unprecedented level of details and revealed the chemical and morphologically heterogeneous nature of the degradation in ZnO thin films.

  5. Effects of Chemical Aging on the Heterogeneous Freezing of Organic Aerosols

    Science.gov (United States)

    Collier, K.; Brooks, S. D.

    2014-12-01

    Organic aerosols are emitted into the atmosphere from a variety of sources and display a wide range of effectiveness in promoting the nucleation of ice in clouds. Soot and polycyclic aromatic hydrocarbons (PAHS) arise from incomplete combustion and other pollutant sources. Hydrocarbon compounds in diesel motor oil and other fuel blends include compounds such as octacosane (a straight saturated alkane), squalane (a branched saturated alkane) and squalene (an unsaturated branched alkene). At temperatures above -36°C, the formation of ice crystals in the atmosphere is facilitated by heterogeneous freezing processes in which atmospheric aerosols act as ice nuclei (IN). The variability in ability of organic particles to facilitate heterogeneous ice nucleation causes major uncertainties in predictions of aerosol effects on climate. Further, atmospheric aerosol composition and ice nucleation ability can be altered via chemical aging and reactions with atmospheric oxidants such as ozone. In this study, we take a closer look at the role of chemical oxidation on the efficiency of specific IN during contact freezing laboratory experiments. The freezing temperatures of droplets in contact with representative organic aerosols are determined through the use of an optical microscope apparatus equipped with a cooling stage and a digital camera. Chemical changes at the surface of aerosols due to ozone exposure are characterized using Raman Microspectroscopy and Fourier Transform Infrared Spectroscopy with Horizontal Attenuated Total Reflectance. Our results indicate that oxidation of certain atmospheric organics (soot and PAHS) enhances their ice nucleation ability. In this presentation, results of heterogeneous nucleation on various types of organic aerosols will be presented, and the role of structure in promoting freezing will be discussed.

  6. Carbon stars and galactic chemical evolution: production of s-elements and wind heterogeneities

    Energy Technology Data Exchange (ETDEWEB)

    De Laverny, P [Observatoire de la Cote d' Azur, Dept. Cassiopee, UMR 6202, Nice (France)], E-mail: laverny@oca.eu

    2008-12-15

    Cool carbon stars found on the asymptotic giant branch are characterized by their production of specific chemical species and by strong but complex winds. This is illustrated below by (i) discussing their production of s-elements in the Milky Way and in neighbour satellite galaxies and (ii) describing the strong heterogeneities observed in the massive dusty circumstellar envelope of the nearby carbon star IRC+10216. Some similarities existing between the inner clumpy envelope of IRC+10216 with the dusty clumps recently detected around the more evolved variable stars of R Coronae Borealis type are also discussed.

  7. Next-Generation Catalysis for Renewables: Combining Enzymatic with Inorganic Heterogeneous Catalysis for Bulk Chemical Production

    DEFF Research Database (Denmark)

    Vennestrøm, Peter Nicolai Ravnborg; Christensen, C.H.; Pedersen, S.

    2010-01-01

    chemical platform under different conditions than those conventionally employed. Indeed, new process and catalyst concepts need to be established. Both enzymatic catalysis (biocatalysis) and heterogeneous inorganic catalysis are likely to play a major role and, potentially, be combined. One type...... of combination involves one-pot cascade catalysis with active sites from bio- and inorganic catalysts. In this article the emphasis is placed specifically on oxidase systems involving the coproduction of hydrogen peroxide, which can be used to create new in situ collaborative oxidation reactions for bulk...

  8. Spatial heterogeneity of soil chemical properties between Haloxylon persicum and Haloxylon ammodendron populations

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Spatial heterogeneity is a ubiquitous feature in natural ecosystems, especially in arid regions. Different species and their discontinuous distribution, accompanied by varied topographic characteristics, result in soil resources distributed differently in different locations, and present significant spatial heterogeneity in desert ecosystems. In this study, conventional and geostatistical methods were used to identify the heterogeneity of soil chemical properties in two desert populations, Haloxylon persicum Bunge ex Boss., which dominates on the slopes and tops of sand dunes and Haloxylon ammodendron (C. A. Mey.) Bunge, which inhabits interdunes in the Gurbantunggut Desert of Xinjiang, China. The results showed that soil pH, electrical conductivity (EC), soil organic carbon (SOC), available nitrogen (AN) and available phosphorus (AP) were significantly higher in H. ammodendron populations than that in H. persicum. The coefficient of variation (CV) indicated that (1) most parameters presented a moderate degree of variability (10% < CV < 100%) except pH in both plots, (2) the variability of soil pH, EC and AP in H. ammodendron populations was higher than that in H. persicum populations, and (3) SOC and AN in H. ammodendron populations were lower than that in H. persicum populations. Geostatistical analysis revealed a strong spatial dependence (C0/(C0+C) < 25%) within the distance of ranges for all tested parameters in both plots. The Kriging-interpolated figures showed that the soil spatial distribution was correlated with the vegetation distribution, individual size of plants, and the topographic features, especially with the plants nearest to sampling points and the topographic features. In each plot, soil EC, SOC, AN and AP presented similar distributions, and fertile islands and salt islands occurred in both plots but did not affect every individual plant, since the sampling distance was larger than the size of such fertile islands. The results of topographic

  9. Spatial heterogeneity of soil chemical properties between Haloxylon persicum and Haloxylon mmodendron populations

    Institute of Scientific and Technical Information of China (English)

    CongJuan LI; Yan LI; Jian MA; LianLian FAN; QinXue WANG

    2010-01-01

    Spatial heterogeneity is a ubiquitous feature in natural ecosystems,especially in arid regions.Different species and their discontinuous distribution,accompanied by varied topographic characteristics,result in soil resources distributed differently in different locations,and present significant spatial heterogeneity in desert ecosystems.In this study,conventional and geostatistical methods were used to identify the heterogeneity of soil chemical properties in two desert populations,Haloxylon persicum Bunge ex Boss.,which dominates on the slopes and tops of sand dunes and Haloxylon ammodendron (C.A.Mey.) Bunge,which inhabits interdunes in the Gurbantunggut Desert of Xinjiang,China.The results showed that soil pH,electrical conductivity (EC),soil organic carbon (SOC),available nitrogen (AN) and available phosphorus (AP) were significantly higher in H.ammodendron populations than that in H.persicum.The coefficient of variation (CV) indicated that (1) most parameters presented a moderate degree of variability (10%<CV<100%) except pH in both plots,(2) the variability of soil pH,EC and AP in H.ammodendron populations was higher than that in H.persicum populations,and (3) SOC and AN in H.ammodendron populations were lower than that in H.persicurn populations.Geostatistical analysis revealed a strong spatial dependence (Co/(Co+C)<25%) within the distance of ranges for all tested parameters in both plots.The Kriging-interpolated figures showed that the soil spatial distribution was correlated with the vegetation distribution,individual size of plants,and the topographic features,especially with the plants nearest to sampling points and the topographic features.In each plot,soil EC,SOC,AN and AP presented similar distributions,and fertile islands and salt islands occurred in both plots but did not affect every individual plant,since the sampling distance was larger than the size of such fertile islands.The results of topographic effects on soil heterogeneity suggested

  10. On the segregation of chemical species in a clear boundary layer over heterogeneous land surfaces

    Directory of Open Access Journals (Sweden)

    H. G. Ouwersloot

    2011-07-01

    Full Text Available We have systematically studied the inability of boundary layer turbulence to efficiently mix reactive species. This creates regions where the species are accumulated in a correlated or anti-correlated way, thereby modifying the mean reactivity. Here, we quantify this modification by the intensity of segregation, IS, and analyse the driving mechanisms: heterogeneity of the surface moisture and heat fluxes, various background wind patterns and non-uniform isoprene emissions. For typical conditions in the Amazon rain forest, applying homogeneous surface forcings, the isoprene-OH reaction rate is altered by less than 10 %. This is substantially smaller than the previously assumed IS of 50 % in recent large-scale model analyses of tropical rain forest chemistry. Spatial heterogeneous surface emissions enhance the segregation of species, leading to alterations of the chemical reaction rates of up to 20 %. For these cases, spatial segregation is induced by heterogeneities of the surface properties: a cool and wet forested patch characterized by high isoprene emissions is alternated with a warm and dry patch that represents pasture with relatively low isoprene emissions. The intensities of segregation are enhanced when the background wind direction is parallel to the borders between the patches and reduced in case of a perpendicular wind direction. The effects of segregation on trace gas concentrations vary per species. For the highly reactive OH, the differences in concentration averaged over the boundary layer are less than 2 % compared to homogeneous surface conditions, while the isoprene concentration is increased by as much as 12 % due to the reduced chemical reaction rates. These processes take place at the sub-grid scale of chemistry transport models and therefore need to be parameterized.

  11. Integration of heterogeneous and biochemical catalysis for production of fuels and chemicals from biomass.

    Science.gov (United States)

    Wheeldon, Ian; Christopher, Phillip; Blanch, Harvey

    2017-03-30

    The past decade has seen significant government and private investment in fundamental research and process development for the production of biofuels and chemicals from lignocellulosic biomass-derived sugars. This investment has helped create new metabolic engineering and synthetic biology approaches, novel homogeneous and heterogeneous catalysts, and chemical and biological routes that convert sugars, lignin, and waste products such as glycerol into hydrocarbon fuels and valuable chemicals. With the exception of ethanol, economical biofuels processes have yet to be realized. A potentially viable way forward is the integration of biological and chemical catalysis into processes that exploit the inherent advantages of each technology while circumventing their disadvantages. Microbial fermentation excels at converting sugars from low-cost raw materials streams into simple alcohols, acids, and other reactive intermediates that can be condensed into highly reduced, long and branched chain hydrocarbons and other industrially useful compounds. Chemical catalysis most often requires clean feed streams to avoid catalyst deactivation, but the chemical and petroleum industries have developed large scale processes for C-C coupling, hydrogenation, and deoxygenation that are driven by low grade heat and low-cost feeds such as hydrogen derived from natural gas. In this context, we suggest that there is a reasonably clear route to the high yield synthesis of biofuels from biomass- or otherwise derived-fermentable sugars: the microbial production of reactive intermediates that can be extracted or separated into clean feed stream for upgrading by chemical catalysis. When coupled with new metabolic engineering strategies that maximize carbon and energy yields during fermentation, biomass-to-fuels processes may yet be realized.

  12. Adsorption and chemical precipitation of lead and zinc from contaminated solutions in porous rocks: Possible application in environmental protection

    Science.gov (United States)

    Németh, Gabriella; Mlinárik, Lilla; Török, Ákos

    2016-10-01

    Natural porous rocks, like limestone and rhyolite tuff are able to reduce heavy metal pollution by adsorbing or precipitating them from heavy metal containing solutions due to the favourable physical and chemical properties of these rocks. In our experiment, two porous rocks, a porous limestone and rhyolite tuff were used. Petrophysical parameters namely apparent density, real density, capillary water absorption, ultrasonic pulse velocity, total porosity and open porosity of the two porous rocks were determined in water-saturated and dried conditions. Powdered rock samples and cylindrical specimens were placed in lead-nitrate and zinc-sulphate solutions (initial concentration: 1000 ppm) and the amount of lead (II) and zinc (II) ions were identified by titration (chelatometry) of the residual solution. According to the experiments, powdered rocks and rock specimens of limestone and rhyolite tuff reduced the lead (II) and zinc (II) ion concentrations in aqueous solution. The results were cross-checked by ICP-MS. Heavy metal removal capacity was relatively high, 92-99% in each case. The treated powdered rocks and rock specimens were also studied by scanning electron microscope (SEM-EDS) and new heavy metal precipitates were identified. According to the tests result, it could be confirmed that these types of lithologies are capable of removing heavy metals and can be used in environmental protection technologies in a form of permeable reactive barrier.

  13. Tantalum coating on porous Ti6Al4V scaffold using chemical vapor deposition and preliminary biological evaluation.

    Science.gov (United States)

    Li, Xiang; Wang, Lin; Yu, Xiaoming; Feng, Yafei; Wang, Chengtao; Yang, Ke; Su, Daniel

    2013-07-01

    Porous tantalum (Ta), produced via chemical vapor deposition (CVD) of commercially pure Ta onto a vitreous carbon, is currently available for use in orthopedic applications. However, the relatively high manufacturing cost and the incapability to produce customized implant using medical image data have limited its application to gain widespread acceptance. In this study, Ta film was deposited on porous Ti6Al4V scaffolds using CVD technique. Digital microscopy and scanning electron microscopy indicated that the Ta coating evenly covered the entire scaffold structure. X-ray diffraction analysis showed that the coating consisted of α and β phases of Ta. Goat mesenchymal stem cells were seeded and cultured on the Ti6Al4V scaffolds with and without coating. The tetrazolium-based colorimetric assay exhibited better cell adhesion and proliferation on Ta-coated scaffolds compared with uncoated scaffolds. The porous scaffolds were subsequently implanted in goats for 12weeks. Histological analysis revealed similar bone formation around the periphery of the coated and uncoated implants, but bone ingrowth is better within the Ta-coated scaffolds. To demonstrate the ability of producing custom implant for clinical applications via this technology, we designed and fabricated a porous Ti6Al4V scaffold with segmental mandibular shape derived from patient computerized tomography data.

  14. Effects of Chemical Reaction on Dissipative Radiative MHD Flow through a Porous Medium over a Nonisothermal Stretching Sheet

    Directory of Open Access Journals (Sweden)

    S. Mohammed Ibrahim

    2014-01-01

    Full Text Available The steady two-dimensional radiative MHD boundary layer flow of an incompressible, viscous, electrically conducting fluid caused by a nonisothermal linearly stretching sheet placed at the bottom of fluid saturated porous medium in the presence of viscous dissipation and chemical reaction is studied. The governing system of partial differential equations is converted to ordinary differential equations by using the similarity transformations, which are then solved by shooting method. The dimensionless velocity, temperature, and concentration are computed for different thermophysical parameters, namely, the magnetic parameter, permeability parameter, radiation parameter, wall temperature parameter, Prandtl number, Eckert number, Schmidt number, and chemical reaction.

  15. Gravity destabilized non-wetting phase invasion in macro-heterogeneous porous media: Near pore scale macro modified invasion percolation simulation of experiments

    Energy Technology Data Exchange (ETDEWEB)

    GLASS JR.,ROBERT J.; CONRAD,STEPHEN H.; YARRINGTON,LANE

    2000-03-08

    The authors reconceptualize macro modified invasion percolation (MMIP) at the near pore (NP) scale and apply it to simulate the non-wetting phase invasion experiments of Glass et al [in review] conducted in macro-heterogeneous porous media. For experiments where viscous forces were non-negligible, they redefine the total pore filling pressure to include viscous losses within the invading phase as well as the viscous influence to decrease randomness imposed by capillary forces at the front. NP-MMIP exhibits the complex invasion order seen experimentally with characteristic alternations between periods of gravity stabilized and destabilized invasion growth controlled by capillary barriers. The breaching of these barriers and subsequent pore scale fingering of the non-wetting phase is represented extremely well as is the saturation field evolution, and total volume invaded.

  16. Heterogeneously porous γ-MnO₂-catalyzed direct oxidative amination of benzoxazole through C-H activation in the presence of O₂.

    Science.gov (United States)

    Pal, Provas; Giri, Arnab Kanti; Singh, Harshvardhan; Ghosh, Subhash Chandra; Panda, Asit Baran

    2014-09-01

    Oxidative amination of azoles through catalytic C-H bond activation is a very important reaction due to the presence of 2-aminoazoles in several biologically active compounds. However, most of the reported methods are performed under homogeneous reaction conditions using excess reagents and additives. Herein, we report the heterogeneous, porous γ-MnO2-catalyzed direct amination of benzoxazole with wide range of primary and secondary amines. The amination was carried under mild reaction conditions and using molecular oxygen as a green oxidant, without any additives. The catalyst can easily be separated by filtration and reused several times without a significant loss of its catalytic performance. Of note, the reaction tolerates a functional group such as alcohol, thus indicating the broad applicability of this reaction.

  17. Influence of permeability on nanoscale zero-valent iron particle transport in saturated homogeneous and heterogeneous porous media.

    Science.gov (United States)

    Strutz, Tessa J; Hornbruch, Götz; Dahmke, Andreas; Köber, Ralf

    2016-09-01

    Nanoscale zero-valent iron (NZVI) particles can be used for in situ groundwater remediation. The spatial particle distribution plays a very important role in successful and efficient remediation, especially in heterogeneous systems. Initial sand permeability (k 0) influences on spatial particle distributions were investigated and quantified in homogeneous and heterogeneous systems within the presented study. Four homogeneously filled column experiments and a heterogeneously filled tank experiment, using different median sand grain diameters (d 50), were performed to determine if NZVI particles were transported into finer sand where contaminants could be trapped. More NZVI particle retention, less particle transport, and faster decrease in k were observed in the column studies using finer sands than in those using coarser sands, reflecting a function of k 0. In heterogeneous media, NZVI particles were initially transported and deposited in coarse sand areas. Increasing the retained NZVI mass (decreasing k in particle deposition areas) caused NZVI particles to also be transported into finer sand areas, forming an area with a relatively homogeneous particle distribution and converged k values despite the different grain sizes present. The deposited-particle surface area contribution to the increasing of the matrix surface area (θ) was one to two orders of magnitude higher for finer than coarser sand. The dependency of θ on d 50 presumably affects simulated k changes and NZVI distributions in numerical simulations of NZVI injections into heterogeneous aquifers. The results implied that NZVI can in principle also penetrate finer layers.

  18. Novel magnetic porous carbon spheres derived from chelating resin as a heterogeneous Fenton catalyst for the removal of methylene blue from aqueous solution.

    Science.gov (United States)

    Ma, Junjun; Zhou, Lincheng; Dan, Wenfeng; Zhang, He; Shao, Yanming; Bao, Chao; Jing, Lingyun

    2015-05-15

    Porous magnetic carbon spheres (MCS) were prepared from carbonized chelating resin composites derived from ethylenediaminetetraacetic acid-modified macroporous polystyrene (PS-EDTA) resin, and then loaded with iron composites via ion exchange. The resulting composites were characterized for this study using X-ray diffraction, MÖssbauer spectroscopy, and Raman spectroscopy, X-ray photoelectron spectroscopy, Brunauer-Emmett-Teller surface area method, scanning electron microscopy, and vibrating sample magnetometry. The porous magnetic carbon spheres were then used, in the existence of H2O2 and NH2OH, with a view to remove methylene blue from the aqueous solution by catalyze a heterogeneous Fenton reaction. Results indicated excellent removal rates and removal efficiency for this catalytic system. Optimal degradation was achieved (nearly 100% within 10 min) using initial concentrations of 5 mmol H2O2 L(-1), 2.5 mmol L(-1) NH2OH and 40 mg L(-1) methylene blue. The catalyst retained its activity after six reuses, indicating strong stability and reusability. Porosity of the catalyst contributed to its high activity, suggesting its potential application for the industrial treatment of wastewater.

  19. Up scaling two-phase flow in heterogeneous porous media; Mise a l'echelle des ecoulements diphasiques dans les milieux poreux heterogenes

    Energy Technology Data Exchange (ETDEWEB)

    Artus, V.

    2003-11-01

    For two-phase flow in heterogeneous media, the emergence of different flow regimes at large-scale is driven by local interactions between the viscous coupling and the heterogeneity. In particular, when the viscosity ratio is favorable, viscous effects induce a transverse flow that stabilizes the front while flooding. However, most of recent stochastic models neglect the influence of the viscous coupling. We developed a stochastic model for the dynamics of the front, taking the viscous coupling into account. For stable cases, this model relates the statistical properties of the front to the statistical properties of the permeability field. For stable flow in stratified media, we show that the front is stationary by parts in the reservoir. These parts can be identified as large-scale hydrodynamic layers and separately coarsened in the large-scale simulation model. For flows with favorable viscosity ratios in isotropic reservoirs, we show that a stationary front occurs, in a statistical sense. For unfavorable viscosity ratios, the flow is driven by the development of viscous fingering. These different regimes lead to different large-scale saturation profiles that can be matched with a macro-dispersion equation, if the effective convective flux is modified to take into account stabilizing or destabilizing viscous effects. (author)

  20. Effect of Alkali-Acid-Heat Chemical Surface Treatment on Electron Beam Melted Porous Titanium and Its Apatite Forming Ability

    Directory of Open Access Journals (Sweden)

    Suzan Bsat

    2015-04-01

    Full Text Available Advanced additive manufacturing techniques such as electron beam melting (EBM, can produce highly porous structures that resemble the mechanical properties and structure of native bone. However, for orthopaedic applications, such as joint prostheses or bone substitution, the surface must also be bio-functionalized to promote bone growth. In the current work, EBM porous Ti6Al4V alloy was exposed to an alkali acid heat (AlAcH treatment to bio-functionalize the surface of the porous structure. Various molar concentrations (3, 5, 10M and immersion times (6, 24 h of the alkali treatment were used to determine optimal parameters. The apatite forming ability of the samples was evaluated using simulated body fluid (SBF immersion testing. The micro-topography and surface chemistry of AlAcH treated samples were evaluated before and after SBF testing using scanning electron microscopy and energy dispersive X-ray spectroscopy. The AlAcH treatment successfully modified the topographical and chemical characteristics of EBM porous titanium surface creating nano-topographical features ranging from 200–300 nm in size with a titania layer ideal for apatite formation. After 1 and 3 week immersion in SBF, there was no Ca or P present on the surface of as manufactured porous titanium while both elements were present on all AlAcH treated samples except those exposed to 3M, 6 h alkali treatment. An increase in molar concentration and/or immersion time of alkali treatment resulted in an increase in the number of nano-topographical features per unit area as well as the amount of titania on the surface.

  1. Changes to the chemical composition of soot from heterogeneous oxidation reactions.

    Science.gov (United States)

    Browne, Eleanor C; Franklin, Jonathan P; Canagaratna, Manjula R; Massoli, Paola; Kirchstetter, Thomas W; Worsnop, Douglas R; Wilson, Kevin R; Kroll, Jesse H

    2015-02-19

    The atmospheric aging of soot particles, in which various atmospheric processes alter the particles' chemical and physical properties, is poorly understood and consequently is not well-represented in models. In this work, soot aging via heterogeneous oxidation by OH and ozone is investigated using an aerosol flow reactor coupled to a new high-resolution aerosol mass spectrometric technique that utilizes infrared vaporization and single-photon vacuum ultraviolet ionization. This analytical technique simultaneously measures the elemental and organic carbon components of soot, allowing for the composition of both fractions to be monitored. At oxidant exposures relevant to the particles' atmospheric lifetimes (the equivalent of several days of oxidation), the elemental carbon portion of the soot, which makes up the majority of the particle mass, undergoes no discernible changes in mass or composition. In contrast, the organic carbon (which in the case of methane flame soot is dominated by aliphatic species) is highly reactive, undergoing first the addition of oxygen-containing functional groups and ultimately the loss of organic carbon mass from fragmentation reactions that form volatile products. These changes occur on time scales comparable to those of other nonoxidative aging processes such as condensation, suggesting that further research into the combined effects of heterogeneous and condensational aging is needed to improve our ability to accurately predict the climate and health impacts of soot particles.

  2. Robust C-C bonded porous networks with chemically designed functionalities for improved CO2 capture from flue gas.

    Science.gov (United States)

    Thirion, Damien; Lee, Joo S; Özdemir, Ercan; Yavuz, Cafer T

    2016-01-01

    Effective carbon dioxide (CO2) capture requires solid, porous sorbents with chemically and thermally stable frameworks. Herein, we report two new carbon-carbon bonded porous networks that were synthesized through metal-free Knoevenagel nitrile-aldol condensation, namely the covalent organic polymer, COP-156 and 157. COP-156, due to high specific surface area (650 m(2)/g) and easily interchangeable nitrile groups, was modified post-synthetically into free amine- or amidoxime-containing networks. The modified COP-156-amine showed fast and increased CO2 uptake under simulated moist flue gas conditions compared to the starting network and usual industrial CO2 solvents, reaching up to 7.8 wt % uptake at 40 °C.

  3. Robust C–C bonded porous networks with chemically designed functionalities for improved CO2 capture from flue gas

    Science.gov (United States)

    Thirion, Damien; Lee, Joo S; Özdemir, Ercan

    2016-01-01

    Effective carbon dioxide (CO2) capture requires solid, porous sorbents with chemically and thermally stable frameworks. Herein, we report two new carbon–carbon bonded porous networks that were synthesized through metal-free Knoevenagel nitrile–aldol condensation, namely the covalent organic polymer, COP-156 and 157. COP-156, due to high specific surface area (650 m2/g) and easily interchangeable nitrile groups, was modified post-synthetically into free amine- or amidoxime-containing networks. The modified COP-156-amine showed fast and increased CO2 uptake under simulated moist flue gas conditions compared to the starting network and usual industrial CO2 solvents, reaching up to 7.8 wt % uptake at 40 °C. PMID:28144294

  4. Influence of the work of adhesion on the dynamic wetting of chemically heterogeneous surfaces.

    Science.gov (United States)

    Ray, Santanu; Sedev, Rossen; Priest, Craig; Ralston, John

    2008-11-18

    The velocity dependence of the dynamic contact angle for a glycerol-water mixture wetting two different chemically heterogeneous surfaces (mixed thiols on gold and partially methylated titania, 16 samples in all) was studied. The molecular kinetic theory (MKT) of wetting was used to interpret the dynamic contact angle data. The equilibrium displacement frequency ( K 0) was predominantly determined by the viscous contribution from the bulk liquid, with a minor contribution from the surface. The mean distance between surface sites (lambda) decreased with increasing work of adhesion. The contact line friction coefficient zeta 0 was found to vary exponentially with the work of adhesion, enabling the unit flow volume of the liquid to be obtained.

  5. Characterization and differentiation of chemical heterogeneity in humic substances by continuous intrinsic proton affinity distribution

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, H.X.; Dong, W.M.; Huang, M.E.; Tao, Z.Y.

    2002-07-01

    The chemical heterogeneity of proton binding on humic substances was studied via continuous intrinsic proton affinity distributions calculated using the condensation approximation from the master curves for two soil fulvic acids (FAs), one soil humic acid (HA) and one fulvic acid obtained from weathered coal. The master curves, i.e. plots of theta(T.H) (the overall protonation degree) versus Hs (the proton concentration in the diffuse double layer), were obtained from potentiometric titration curves at three ionic strengths. The value of Hs was calculated using an electrical double-layer model in which the humic substances were considered as rigid impermeable spheres. For all four samples, the proton affinity distributions were characterized by a few peaks with peak positions in the range 4-5.5. The similarities and differences between the samples studied were discussed.

  6. The Impact of DNAPL Source-Zone Architecture on Contaminant Mass Flux and Plume Evolution in Heterogeneous Porous Media

    Science.gov (United States)

    2013-08-01

    equilibration times for the sorption of polyaromatic hydrocarbons to small particles of soot have been reported by several researchers. These observations...Diffusion and Biodegradation Reactions in Sustaining an MTBE/TBA Plume in Alluvial Media. Jour. Contam. Hydrol. 126, 235-247. Reitsma, S. and...Remediation of Chlorinated Hydrocarbons for Heterogeneous Subsurface Environments. Presented at the NIEHS Superfund Basic Research Program National

  7. Quantifying impacts of coupled chemical and physical heterogeneity on water quality evolution during Aquifer Storage and Recovery

    Science.gov (United States)

    Deng, H.; Descourvieres, C.; Seibert, S.; Harris, B.; Atteia, O.; Siade, A. J.; Prommer, H.

    2014-12-01

    Aquifer storage and recovery (ASR) is an important water management option in water-scarce regions. During wet periods surplus water is injected into suitable aquifers for storage and later recovery. ASR sites are, however, also ideal natural laboratories that provide opportunities for studying coupled physical and geochemical processes and water quality evolution at field-scale under well-controlled hydrological conditions. In this study, we use reactive transport modelling to assess the impacts of physical and chemical heterogeneities on the water quality evolution during the injection of oxic surface water into the anoxic, pyrite-bearing Leederville aquifer in Perth, Western Australia. Physical heterogeneity was identified from geophysical well logs and time lapse temperature logs. Those data were used to define the spatial, depth-varying alternation of three lithofacies (sandstone, siltstone and clay). Chemical heterogeneity was incorporated through distinct chemical zones, based on data derived from a comprehensive pre-trial geochemical characterization and from dedicated laboratory respirometer experiments. Calibration of flow and conservative transport parameters was constrained by the spatially varying measured chloride breakthrough behavior. Subsequent reactive transport modeling discerned the key geochemical processes that affected the water quality evolution during ASR. Clearly identified processes included oxidation of pyrite, mineralization of sedimentary organic carbon, ion exchange, dissolution of calcite and precipitation of ferrihydrite and siderite. We use the calibrated model to analyze the individual and the combined effects of the physical and chemical heterogeneities on the chemical composition of the recovered water during ASR.

  8. Observed Dependence of Colloid Detachment on the Concentration of Initially Attached Colloids and Collector Surface Heterogeneity in Porous Media.

    Science.gov (United States)

    Li, Tiantian; Jin, Yan; Huang, Yuanfang; Li, Baoguo; Shen, Chongyang

    2017-02-23

    Sand column experiments were conducted to examine the effects of the concentration of attached colloids (CAC) on their subsequent detachment upon decreasing solution ionic strength (IS). Different pore volumes of latex microparticle suspensions were injected into the columns to allow different amounts of colloids to attach at ISs of 0.001, 0.01, and 0.2 M. Then, deionized water was introduced to release the attached colloids. Results show that the fraction of attachments that were reversible to reduction of IS (FRA) increased with increasing CAC at a given IS if the sand was extensively treated using acids to reduce surface charge heterogeneity. This indicates that colloids were preferentially immobilized in sites favoring irreversible attachment and then gradually occupied reversible sites. In contrast, the FRA decreased with increasing CAC at 0.001 M in sand without the acid treatment, illustrating the opposite attachment sequence. Scanning electron microscope examinations reveal that the concave regions favored irreversible colloid attachment. Reversible attachment is likely due to immobilization on flat surfaces with charge heterogeneities, retention in stagnation point regions via secondary minimum association, ripening in the acid-treated sand, and capture of colloids by protruding asperities with charge heterogeneity in the untreated sand. At ISs of 0.01 and 0.2 M, the FRA was essentially independent of CAC in the untreated sand because the colloids were randomly attached on the sand surfaces over time.

  9. A two-stage adaptive stochastic collocation method on nested sparse grids for multiphase flow in randomly heterogeneous porous media

    Science.gov (United States)

    Liao, Qinzhuo; Zhang, Dongxiao; Tchelepi, Hamdi

    2017-02-01

    A new computational method is proposed for efficient uncertainty quantification of multiphase flow in porous media with stochastic permeability. For pressure estimation, it combines the dimension-adaptive stochastic collocation method on Smolyak sparse grids and the Kronrod-Patterson-Hermite nested quadrature formulas. For saturation estimation, an additional stage is developed, in which the pressure and velocity samples are first generated by the sparse grid interpolation and then substituted into the transport equation to solve for the saturation samples, to address the low regularity problem of the saturation. Numerical examples are presented for multiphase flow with stochastic permeability fields to demonstrate accuracy and efficiency of the proposed two-stage adaptive stochastic collocation method on nested sparse grids.

  10. Metallosalen-Based Ionic Porous Polymers as Bifunctional Catalysts for the Conversion of CO2 into Valuable Chemicals.

    Science.gov (United States)

    Luo, Rongchang; Chen, Yaju; He, Qian; Lin, Xiaowei; Xu, Qihang; He, Xiaohui; Zhang, Wuying; Zhou, Xiantai; Ji, Hongbing

    2016-12-31

    A series of new metallosalen-based ionic porous organic polymers (POPs) were synthesized for the first time using a simple unique strategy based on the free-radical copolymerization reaction. Various techniques were used to characterize the physicochemical properties of these catalysts. These well-designed materials endowed high surface area, hierarchical porous structures, and enhanced CO2 /N2 adsorptive selectivity. Moreover, these POPs having both metal centers (Lewis acid) and ionic units (nucleophile) could serve as bifunctional catalysts in the catalytic conversion of CO2 into high value-added chemicals without any additional co-catalyst under mild and solvent-free conditions, for example, CO2 /epoxides cycloaddition and Nformylation of amines from CO2 and hydrosilanes. The results demonstrated that the irregular porous structure was very favorable for the diffusion of substrates and products, and the microporous structural property resulted in the enrichment of CO2 near the catalytic centers in the CO2 -involved transformations. Additionally, the superhydrophobic property could not only enhance the chemoselectivity of products but also promote the stability and recyclability of catalysts.

  11. MHD Mixed Convection Oscillatory Flow over a Vertical Surface in a Porous Medium with Chemical Reaction and Thermal Radiation

    Directory of Open Access Journals (Sweden)

    Venkata Ramana Reddy Gurramapti

    2016-01-01

    Full Text Available The present paper concerns with the study of thermal radiation and magnetohydrodynamic effects on mixed convection flow of a viscous incompressible electrically-conducting fluid through a porous medium with variable permeability in the presence of oscillatory suction. The influence of a first-order homogeneous chemical reaction, heat source and Soret effects are analyzed. The resultant governing boundary layer equations are highly nonlinear and coupled form of partial differential equations which are solved analytically using two-term harmonic and non-harmonic functions. The effects of different physical parameters on the velocity, temperature and concentration fields are discussed in detail. The results are presented graphically and discussed qualitatively.

  12. A Lattice Gas Automata Model for the Coupled Heat Transfer and Chemical Reaction of Gas Flow Around and Through a Porous Circular Cylinder

    Directory of Open Access Journals (Sweden)

    Hongsheng Chen

    2015-12-01

    Full Text Available Coupled heat transfer and chemical reaction of fluid flow in complex boundaries are explored by introducing two additional properties, i.e. particle type and energy state into the Lattice gas automata (LGA Frisch–Hasslacher–Pomeau (FHP-II model. A mix-redistribute of energy and type of particles is also applied on top of collision rules to ensure randomness while maintaining the conservation of mass, momentum and energy. Simulations of heat transfer and heterogeneous reaction of gas flow passing a circular porous cylinder in a channel are presented. The effects of porosity of cylinder, gas inlet velocity, and reaction probability on the reaction process are further analyzed with respect to the characteristics of solid morphology, product concentration, and temperature profile. Numerical results indicate that the reaction rate increases with increasing reaction probability as well as gas inlet velocity. Cylinders with a higher value of porosity and more homogeneous structure also react with gas particles faster. These results agree well with the basic theories of gas–solid reactions, indicating the present model provides a method for describing gas–solid reactions in complex boundaries at mesoscopic level.

  13. Natural Gas Purification Using a Porous Coordination Polymer with Water and Chemical Stability

    NARCIS (Netherlands)

    Duan, J.; Jin, W.; Krishna, R.

    2015-01-01

    Porous coordination polymers (PCPs), constructed by bridging the metals or clusters and organic linkers, can provide a functional pore environment for gas storage and separation. But the rational design for identifying PCPs with high efficiency and low energy cost remains a challenge. Here, we demon

  14. 3-D heterogeneous field data versus 2-D simulations. How can it be accomplished in a sedimentary porous formation?

    Science.gov (United States)

    Darvini, G.; Salandin, P.

    2009-12-01

    To analyze the impact of the hydraulic conductivity K spatial variability in a real field case (as an example to delimitate a well catchment), numerical simulations can be reasonably developed in a two-dimensional vertical average context. Nevertheless the plume evolution is a consequence of a more complex three-dimensional heterogeneous structure whose vertical variability dominates the dispersion phenomena at local scale. In larger domains, the effect of the vertical heterogeneity combines itself with that one due to the horizontal variability of K, and only when the plume has travelled a large number of (horizontal) integral scales, its evolution can be analyzed in a regional context, under the hypothesis that the transmissivity spatial distribution prevails. Until this limit is reached, the vertical and horizontal variability of K are combined to give a fully 3-D dispersion process. In all these situations, to successfully accomplish the 3-D heterogeneous structure of the aquifer in 2-D simulations, more than the planimetric depth-averaged variability of K must be accounted for. To define the uncertainty related to the use of different planimetric schematizations of the real hydraulic conductivity spatial distribution, we present here the results of some numerical experiments that compare the 3-D plume evolution with 2-D simulations developed by tacking into account different hydraulic conductivity distribution schematization, by considering a hierarchical architecture of media also. This description of a sedimentary formation combined with the finite size of the plume requires theoretical and numerical tools able to take into account the flow field inhomogeneity and the ergodicity lack that characterize the transport phenomena. Following this way it will be possible to quantify / reduce the uncertainty related to a 2-D schematization in a large number of real cases where the domain spans between the local and the regional scale and whose dimension may lead to

  15. Influence of Aerosol Chemical Composition on Heterogeneous Ice Formation under Mid-Upper Troposphere Conditions

    Science.gov (United States)

    Kanji, Z. A.; Niemand, M.; Saathoff, H.; Möhler, O.; Chou, C.; Abbatt, J.; Stetzer, O.

    2011-12-01

    Aerosols are involved in cooling/warming the atmosphere directly via interaction with incoming solar radiation (aerosol direct effect), or via their ability to act as cloud condensation or ice nuclei (IN) and thus play a role in cloud formation (indirect effect). In particular, the physical properties of aerosols such as size and solubility and chemical composition can influence their behavior and fate in the atmosphere. Ice nucleation taking place via IN is termed as heterogeneous ice nucleation and can take place with via deposition (ice forming on IN directly from the vapor phase), condensation/immersion (freezing via formation of the liquid phase on IN) or condensation (IN colliding with supercooled liquid drops). This presentation shows how the chemical composition and surface area of various tropospherically relevant aerosols influence conditions of temperature (T) and relative humidity (RH) required for heterogeneous ice formation conditions in the mid-upper troposphere regime (253 - 220K)? Motivation for this comes first from, the importance of being able to predict ice formation accurately so as to understand the hydrological cycle since the ice is the primary initiator of precipitation forming clouds. Second, the tropospheric budget of water vapour, an especially active greenhouse gas is strongly influenced by ice nucleation and growth. Third, ice surfaces in the atmosphere act as heterogeneous surfaces for chemical reactions of trace gases (e.g., SO2, O3, NOx and therefore being able to accurately estimate ice formation rates and quantify ice surface concentrations will allow a more accurate calculation of trace gas budgets in the troposphere. Ice nucleation measurements were conducted using a self-developed continuous flow diffusion chamber and static chamber. A number of tropospherically relevant particulates with naturally-varying and laboratory-modified surface chemistry/structure were investigated for their ice formation efficiency based on highest

  16. A Cassie-Like Law Using Triple Phase Boundary Line Fractions for Faceted Droplets on Chemically Heterogeneous Surfaces

    DEFF Research Database (Denmark)

    Larsen, Simon Tylsgaard; Taboryski, Rafael Jozef

    2009-01-01

    We present experimental contact angle data for surfaces, which were surface-engineered with a hydrophobic micropattern of hexagonal geometry. The chemically heterogeneous surface of the same hexagonal pattern of defects resulted in faceted droplets of hexagonal shape. When measuring the advancing...

  17. An $h$-Adaptive Operator Splitting Method for Two-Phase Flow in 3D Heterogeneous Porous Media

    KAUST Repository

    Chueh, Chih-Che

    2013-01-01

    The simulation of multiphase flow in porous media is a ubiquitous problem in a wide variety of fields, such as fuel cell modeling, oil reservoir simulation, magma dynamics, and tumor modeling. However, it is computationally expensive. This paper presents an interconnected set of algorithms which we show can accelerate computations by more than two orders of magnitude compared to traditional techniques, yet retains the high accuracy necessary for practical applications. Specifically, we base our approach on a new adaptive operator splitting technique driven by an a posteriori criterion to separate the flow from the transport equations, adaptive meshing to reduce the size of the discretized problem, efficient block preconditioned solver techniques for fast solution of the discrete equations, and a recently developed artificial diffusion strategy to stabilize the numerical solution of the transport equation. We demonstrate the accuracy and efficiency of our approach using numerical experiments in one, two, and three dimensions using a program that is made available as part of a large open source library. © 2013 Society for Industrial and Applied Mathematics.

  18. Preparation of porous, chemically cross-linked, PVdF-based gel polymer electrolytes for rechargeable lithium batteries

    Science.gov (United States)

    Cheng, C. L.; Wan, C. C.; Wang, Y. Y.

    This study reports the development of a new system of porous, chemically cross-linked, gel polymer electrolytes based on poly(vinylidene fluoride-co-hexafluoropropylene) (PVdF-HFP) copolymer as a polymer matrix, polyethylene glycol (PEG) as a plasticizer, and polyethylene glycol dimethacrylate (PEGDMA) as a chemical cross-linking oligomer. The electrolytes are prepared by a combination of controlled evaporation and thermal polymerization of PEGDMA. PVdF-HFP/PEG/PEGDMA gel polymer electrolytes with a composition of 5/3/2 exhibit both high ambient ionic conductivity, viz., >1 mS cm -1, and a high tensile modulus of 52 MPa, because of their porous and network structures. All the blends of electrolytes are electrochemically stable up to 5 V versus Li/Li + in the presence of 1 M LiPF 6/ethylene carbonate-diethyl carbonate (EC-DEC). With these polymer electrolytes, rechargeable lithium batteries composed of carbon anode and LiCoO 2 cathode have acceptable cycleability and a good rate capability.

  19. High-temperature XRD study of thermally induced structural and chemical changes in iron oxide nanoparticles embedded in porous carbons

    Energy Technology Data Exchange (ETDEWEB)

    Schettino, M. A.; Freitas, J. C. C., E-mail: jairccfreitas@yahoo.com.b [Universidade Federal do Espirito Santo, Departamento de Fisica (Brazil); Morigaki, M. K. [Universidade Federal do Espirito Santo, Departamento de Quimica (Brazil); Nunes, E.; Cunha, A. G.; Passamani, E. C.; Emmerich, F. G. [Universidade Federal do Espirito Santo, Departamento de Fisica (Brazil)

    2010-10-15

    Magnetic carbon-based nanomaterials have promising applications in many fields owing to their biocompatibility and thermal/mechanical stability. This study describes a high-temperature X-ray diffraction (XRD) study of the chemical and structural transformations suffered by superparamagnetic iron oxide nanoparticles embedded in porous carbons. The nanoparticles were prepared from the decomposition of iron pentacarbonyl over porous carbons, resulting in nanometer-sized iron oxides homogeneously dispersed into the carbon matrix. The thermally induced changes in these materials were followed by in situ high-temperature XRD, using synchrotron radiation. The growing of the nanoparticles and of the carbon crystallites were first observed, followed by the reduction of the iron oxides to form {alpha}-Fe (at temperatures as low as 400 {sup o}C in some cases) and {gamma}-Fe(C). The temperatures at which these chemical reactions occurred were dependent on the total time spent on heating and on the nature of the iron oxides formed in the as prepared materials. A noticeably large thermal expansion coefficient was also observed for the iron oxide nanocrystals. The formation of austenitic iron, stabilized by the presence of carbon, was found to be only partially reversible upon cooling.

  20. Ionic Diffusion and Kinetic Homogeneous Chemical Reactions in the Pore Solution of Porous Materials with Moisture Transport

    DEFF Research Database (Denmark)

    Johannesson, Björn

    2009-01-01

    Results from a systematic continuum mixture theory will be used to establish the governing equations for ionic diffusion and chemical reactions in the pore solution of a porous material subjected to moisture transport. The theory in use is the hybrid mixture theory (HMT), which in its general form...... general description of chemical reactions among constituents is described. The Petrov – Galerkin approach are used in favour of the standard Galerkin weighting in order to improve the solution when the convective part of the problem is dominant. A modified type of Newton – Raphson scheme is derived...... for the non-linear global matrix formulation. The developed model and its numerical solution procedure are checked by running test examples which results demonstrates robustness of the proposed approach....

  1. Effect of chemical heterogeneity on photoluminescence of graphite oxide treated with S-/N-containing modifiers

    Science.gov (United States)

    Ebrahim, Amani M.; Rodríguez-Castellón, Enrique; Montenegro, José María; Bandosz, Teresa J.

    2015-03-01

    Graphite oxide (GO) obtained using Hummers method was modified by hydrothermal treatment either with sulfanilic acid or polystyrene (3-ammonium) sulfonate at 100 °C or 85 °C, respectively. Both modifiers contain sulfur in the oxidized forms and nitrogen in the reduced forms. The materials were characterized using FTIR, XPS, thermal analysis, potentiometric titration and SEM. Their photoluminescent properties and their alteration with an addition of Ag+ were also measured. As a result of these modifications nitrogen was introduced to the graphene layers as amines, imides, amides, and sulfur as sulfones and sulfonic acids. Moreover, the presence of polyaniline was detected. This significantly affected the polarity, acid-base character, and conductivity of the materials. Apparently carboxylic groups of GO were involved in the surface reactions. The modified GOs lost their layered structure and the modifications resulted in the high degree of structural and chemical heterogeneity. Photoluminescence in visible light was recorded and linked to the presence of heteroatoms. For the polystyrene (3-ammonium) sulfonate modified sample addition of Ag+ quenched the photoluminescence at low wavelength showing sensitivity as a possible optical detector. No apparent effect was found for the sulfanilic acid modified sample.

  2. Effects of mechanical dispersion on the morphological evolution of a chemical dissolution front in a fluid-saturated porous medium

    Science.gov (United States)

    Chen, Jui-Sheng; Liu, Chen-Wuing; Lai, Geng-Xin; Ni, Chuen-Fa

    2009-06-01

    SummaryThe dissolution-induced finger or wormhole patterns in porous medium or fracture rock play a crucial role in a variety of scientific, industrial, and engineering practices. Although previous studies have extensively presented a number of numerical models which couples a system of nonlinear governing equations of porosity change due to mineral dissolution, the conservations of groundwater flow and transport of chemical species to investigate the morphological pattern of a chemical dissolution front within a fluid-saturated porous medium, whereas the mechanical dispersion effect has generally been neglected in the model development. This study addresses the effects of mechanical dispersion on the morphological evolution of a chemical dissolution front for a variety of cases. Mechanical dispersion processes is incorporated with the coupled nonlinear governing equation system so as to rebuild a newly numerical model. The results of numerical simulations demonstrate that mechanical dispersion has pronounced impacts on the morphological pattern of the chemical dissolution front. For single local non-uniformity case, mechanical dispersion reduces the finger length of an unstable single-fingering front or retains the shape of a stable planar front while speeding up the front advancement. In the case of two local non-uniformities, adding mechanical dispersion with different flow conditions can yield one of the following results: (1) the shape of the stable planar front is maintained but its advancement is accelerated; (2) the shape of the unstable single-fingering front is maintained but its length is reduced; (3) the unstable double-fingering front is merged into an unstable single-fingering front; and (4) the shape of the unstable double-fingering front is preserved but its fingering length is reduced. A comparison between the behavior diagrams of dissolution front morphology (with and without considering mechanical dispersion) shows that the double-fingering front

  3. Correspondence Between One- and Two-Equation Models for Solute Transport in Two-Region Heterogeneous Porous Media

    KAUST Repository

    Davit, Y.

    2012-07-26

    In this work, we study the transient behavior of homogenized models for solute transport in two-region porous media. We focus on the following three models: (1) a time non-local, two-equation model (2eq-nlt). This model does not rely on time constraints and, therefore, is particularly useful in the short-time regime, when the timescale of interest (t) is smaller than the characteristic time (τ 1) for the relaxation of the effective macroscale parameters (i. e., when t ≤ τ 1); (2) a time local, two-equation model (2eq). This model can be adopted when (t) is significantly larger than (τ 1) (i.e., when t≫τ 1); and (3) a one-equation, time-asymptotic formulation (1eq ∞). This model can be adopted when (t) is significantly larger than the timescale (τ 2) associated with exchange processes between the two regions (i. e., when t≫τ 2). In order to obtain insight into this transient behavior, we combine a theoretical approach based on the analysis of spatial moments with numerical and analytical results in several simple cases. The main result of this paper is to show that there is only a weak asymptotic convergence of the solution of (2eq) towards the solution of (1eq ∞) in terms of standardized moments but, interestingly, not in terms of centered moments. The physical interpretation of this result is that deviations from the Fickian situation persist in the limit of long times but that the spreading of the solute is eventually dominating these higher order effects. © 2012 Springer Science+Business Media B.V.

  4. Interaction chromatography for characterization and large-scale fractionation of chemically heterogeneous copolymers

    Science.gov (United States)

    Han, Junwon

    The remarkable development of polymer synthesis techniques to make complex polymers with controlled chain architectures has inevitably demanded the advancement of polymer characterization tools to analyze the molecular dispersity in polymeric materials beyond size exclusion chromatography (SEC). In particular, man-made synthetic copolymers that consist of more than one monomer type are disperse mixtures of polymer chains that have distributions in terms of both chemical heterogeneity and chain length (molar mass). While the molecular weight distribution has been quite reliably estimated by the SEC, it is still challenging to properly characterize the chemical composition distribution in the copolymers. Here, I have developed and applied adsorption-based interaction chromatography (IC) techniques as a promising tool to characterize and fractionate polystyrene-based block, random and branched copolymers in terms of their chemical heterogeneity. The first part of this thesis is focused on the adsorption-desorption based purification of PS-b-PMMA diblock copolymers using nanoporous silica. The liquid chromatography analysis and large scale purification are discussed for the PS-b-PMMA block copolymers that have been synthesized by sequential anionic polymerization. SEC and IC are compared to critically analyze the contents of PS homopolymers in the as-synthesized block copolymers. In addition, I have developed an IC technique to provide faster and more reliable information on the chemical heterogeneity in the as-synthesized block copolymers. Finally, a large scale (multi-gram) separation technique is developed to obtain "homopolymer-free" block copolymers via a simple chromatographic filtration technique. By taking advantage of the large specific surface area of nanoporous silica (≈300m 2/g), large scale purification of neat PS-b-PMMA has successfully been achieved by controlling adsorption and desorption of the block copolymers on the silica gel surface using a

  5. Experimental quantification of pore-scale flow of water and liquid CO2 in 2D heterogeneous porous micromodels at reservoir conditions

    Science.gov (United States)

    Li, Yaofa; Kazemifar, Farzan; Blois, Gianluca; Christensen, Kenneth

    2016-11-01

    Pore-scale flow interactions between water and supercritical CO2 is relevant to large-scale geologic sequestration of CO2. Recent studies have provided evidence of strong instabilities at the meniscus resulting in burst events and onset of inertial effects. This supports the notion that pore-scale physics cannot be captured by Darcian models and unsteady events play a defining role in CO2 transport/trapping processes and such burst events may generate pressure fluctuations that can be linked to micro-seismic events in the pore structure. To this end, the pore-scale flow of water and liquid/supercritical CO2 is investigated under reservoir-relevant conditions in 2D heterogeneous porous micro-models that reflect the complexity of a real sandstone. Fluorescent microscopy and micro-PIV are complemented by a fast differential pressure transmitter, allowing for simultaneous quantification of the flow field within and the instantaneous pressure drop across the micromodels. A number of CO2 invasion patterns and corresponding pressure drop variations are observed over a range of wettability conditions, yielding a more comprehensive picture of the CO2 drainage processes. This work was primarily supported as part of the Center for Geologic Storage of CO2 , an EFRC funded by the U.S. Department of Energy, Office of Science and partially supported by WPI-I2CNER based at Kyushu University, Japan.

  6. Kinetic study of the heterogeneous photocatalysis of porous nanocrystalline TiO₂ assemblies using a continuous random walk simulation.

    Science.gov (United States)

    Liu, Baoshun; Zhao, Xiujian

    2014-10-28

    The continuous time random walk (CTRW) simulation was used to study the photocatalytic kinetics of nanocrystalline (nc)-TiO2 assemblies in this research. nc-TiO2 assemblies, such as nc-TiO2 porous films and nc-TiO2 hierarchical structures, are now widely used in photocatalysis. The nc-TiO2 assemblies have quasi-disordered networks consisting of many tiny nanoparticles, so the charge transport within them can be studied by CTRW simulation. We considered the experimental facts that the holes can be quickly trapped and transferred to organic species just after photogeneration, and the electrons transfer to O2 slowly and accumulate in the conduction band of TiO2, which is believed to be the rate-limiting process of the photocatalysis under low light intensity and low organic concentration. Due to the existence of numerous traps, the electron transport within the nc-TiO2 assemblies follows a multi-trapping (MT) mechanism, which significantly limits the electron diffusion speed. The electrons need to undergo several steps of MT transport before transferring to oxygen, so it is highly important that the electron transport in nc-TiO2 networks is determined for standard photocatalytic reactions. Based on the MT transport model, the transient decays of photocurrents during the photocatalytic oxidation of formic acid were studied by CTRW simulation, and are in good accordance with experiments. The steady state photocatalysis was also simulated. The effects of organic concentration, light intensity, temperature, and nc-TiO2 crystallinity on the photocatalytic kinetics were investigated, and were also consistent with the experimental results. Due to the agreement between the simulation and the experiments for both the transient and the steady state photocatalysis, the MT charge transport should be an important mechanism that controls the kinetics of recombination and photocatalysis in nc-TiO2 assemblies. Also, our research provides a new methodology to study the photocatalytic

  7. The impact of porous media heterogeneity on non-Darcy flow behaviour from pore-scale simulation

    Science.gov (United States)

    Muljadi, Bagus P.; Blunt, Martin J.; Raeini, Ali Q.; Bijeljic, Branko

    2016-09-01

    The effect of pore-scale heterogeneity on non-Darcy flow behaviour is investigated by means of direct flow simulations on 3-D images of a beadpack, Bentheimer sandstone and Estaillades carbonate. The critical Reynolds number indicating the cessation of the creeping Darcy flow regime in Estaillades carbonate is two orders of magnitude smaller than in Bentheimer sandstone, and is three orders of magnitude smaller than in the beadpack. It is inferred from the examination of flow field features that the emergence of steady eddies in pore space of Estaillades at elevated fluid velocities accounts for the early transition away from the Darcy flow regime. The non-Darcy coefficient β, the onset of non-Darcy flow, and the Darcy permeability for all samples are obtained and compared to available experimental data demonstrating the predictive capability of our approach. X-ray imaging along with direct pore-scale simulation of flow provides a viable alternative to experiments and empirical correlations for predicting non-Darcy flow parameters such as the β factor, and the onset of non-Darcy flow.

  8. Effect of soil moisture dynamics on dense nonaqueous phase liquid (DNAPL) spill zone architecture in heterogeneous porous media.

    Science.gov (United States)

    Yoon, Hongkyu; Valocchi, Albert J; Werth, Charles J

    2007-03-20

    The amount, location, and form of NAPL in contaminated vadose zones are controlled by the spatial distribution of water saturation and soil permeability, the NAPL spill scenario, water infiltration events, and vapor transport. To evaluate the effects of these processes, we used the three-phase flow simulator STOMP, which includes a new permeability-liquid saturation-capillary pressure (k-S-P) constitutive model. This new constitutive model considers three NAPL forms: free, residual, and trapped. A 2-D vertical cross-section with five stratigraphic layers was assumed, and simulations were performed for seven cases. The conceptual model of the soil heterogeneity was based upon the stratigraphy at the Hanford carbon tetrachloride (CT) spill site. Some cases considered co-disposal of NAPL with large volumes of wastewater, as also occurred at the Hanford CT site. In these cases, the form and location of NAPL were most strongly influenced by high water discharge rates and NAPL evaporation to the atmosphere. In order to investigate the impact of heterogeneity, the hydraulic conductivity within the lower permeability layer was modeled as a realization of a random field having three different classes. For six extreme cases of 100 realizations, the CT mass that reached the water table varied by a factor of two, and was primarily controlled by the degree of lateral connectivity of the low conductivity class within the lowest permeability layer. The grid size at the top boundary had a dramatic impact on NAPL diffusive flux just after the spill event when the NAPL was present near the ground surface. NAPL evaporation with a fine grid spacing at the top boundary decreased CT mass that reached the water table by 74%, compared to the case with a coarse grid spacing, while barometric pumping had a marginal effect for the case of a continuous NAPL spill scenario considered in this work. For low water infiltration rate scenarios, the distribution of water content prior to a NAPL

  9. Wave simulation in 2D heterogeneous transversely isotropic porous media with fractional attenuation: A Cartesian grid approach

    Science.gov (United States)

    Blanc, Emilie; Chiavassa, Guillaume; Lombard, Bruno

    2014-10-01

    A time-domain numerical modeling of transversely isotropic Biot poroelastic waves is proposed in two dimensions. The viscous dissipation occurring in the pores is described using the dynamic permeability model developed by Johnson-Koplik-Dashen (JKD). Some of the coefficients in the Biot-JKD model are proportional to the square root of the frequency. In the time-domain, these coefficients introduce shifted fractional derivatives of order 1/2, involving a convolution product. Based on a diffusive representation, the convolution kernel is replaced by a finite number of memory variables that satisfy local-in-time ordinary differential equations, resulting in the Biot-DA (diffusive approximation) model. The properties of both the Biot-JKD and the Biot-DA models are analyzed: hyperbolicity, decrease of energy, dispersion. To determine the coefficients of the diffusive approximation, two approaches are analyzed: Gaussian quadratures and optimization methods in the frequency range of interest. The nonlinear optimization is shown to be the better way of determination. A splitting strategy is then applied to approximate numerically the Biot-DA equations. The propagative part is discretized using a fourth-order ADER scheme on a Cartesian grid, whereas the diffusive part is solved exactly. An immersed interface method is implemented to take into account heterogeneous media on a Cartesian grid and to discretize the jump conditions at interfaces. Numerical experiments are presented. Comparisons with analytical solutions show the efficiency and the accuracy of the approach, and some numerical experiments are performed to investigate wave phenomena in complex media, such as multiple scattering across a set of random scatterers.

  10. Chemical reactivity of {alpha}-isosaccharinic acid in heterogeneous alkaline systems

    Energy Technology Data Exchange (ETDEWEB)

    Glaus, M. A.; Loon, L. R. Van

    2009-05-15

    Cellulose degradation under alkaline conditions is of relevance for the mobility of many radionuclides in the near-field of a cementitious repository for radioactive waste, because metal-binding degradation products may be formed. Among these, {alpha}- isosaccharinic acid ({alpha}-ISA) is the strongest complexant. The prediction of the equilibrium concentration of {alpha}-ISA in cement pore water is therefore an important step in the assessment of the influence of cellulose degradation products on the speciation of radionuclides in such environments. The present report focuses on possible chemical transformation reactions of {alpha}-ISA in heterogeneous alkaline model systems containing either Ca(OH){sub 2} or crushed hardened cement paste. The transformation reactions were monitored by measuring the concentration of {alpha}-ISA by high performance anion exchange chromatography and the formation of reaction products by high performance ion exclusion chromatography. The overall loss of organic species from solution was monitored by measuring the concentration of non-purgeable organic carbon. The reactions were examined in diluted and compacted suspensions, at either 25 {sup o}C or 90 {sup o}C, and under anaerobic atmospheres obtained by various methods. It was found that {alpha}-ISA was transformed under all conditions tested to some extent. Reaction products, such as glycolate, formate, lactate and acetate, all compounds with less complexing strength than {alpha}-ISA, were detected. The amount of reaction products identified by the chromatographic technique applied was {approx} 50 % of the amount of {alpha}-ISA reacted. Sorption of {alpha}-ISA to Ca(OH){sub 2} contributed only to a minor extent to the loss of {alpha}-ISA from the solution phase. As the most important conclusion of the present work it was demonstrated that the presence of oxidising agents had a distinctive influence on the turnover of {alpha}-ISA. Under aerobic conditions {alpha}-ISA was

  11. Analysis and improvement of Brinkman lattice Boltzmann schemes: bulk, boundary, interface. Similarity and distinctness with finite elements in heterogeneous porous media.

    Science.gov (United States)

    Ginzburg, Irina; Silva, Goncalo; Talon, Laurent

    2015-02-01

    This work focuses on the numerical solution of the Stokes-Brinkman equation for a voxel-type porous-media grid, resolved by one to eight spacings per permeability contrast of 1 to 10 orders in magnitude. It is first analytically demonstrated that the lattice Boltzmann method (LBM) and the linear-finite-element method (FEM) both suffer from the viscosity correction induced by the linear variation of the resistance with the velocity. This numerical artefact may lead to an apparent negative viscosity in low-permeable blocks, inducing spurious velocity oscillations. The two-relaxation-times (TRT) LBM may control this effect thanks to free-tunable two-rates combination Λ. Moreover, the Brinkman-force-based BF-TRT schemes may maintain the nondimensional Darcy group and produce viscosity-independent permeability provided that the spatial distribution of Λ is fixed independently of the kinematic viscosity. Such a property is lost not only in the BF-BGK scheme but also by "partial bounce-back" TRT gray models, as shown in this work. Further, we propose a consistent and improved IBF-TRT model which vanishes viscosity correction via simple specific adjusting of the viscous-mode relaxation rate to local permeability value. This prevents the model from velocity fluctuations and, in parallel, improves for effective permeability measurements, from porous channel to multidimensions. The framework of our exact analysis employs a symbolic approach developed for both LBM and FEM in single and stratified, unconfined, and bounded channels. It shows that even with similar bulk discretization, BF, IBF, and FEM may manifest quite different velocity profiles on the coarse grids due to their intrinsic contrasts in the setting of interface continuity and no-slip conditions. While FEM enforces them on the grid vertexes, the LBM prescribes them implicitly. We derive effective LBM continuity conditions and show that the heterogeneous viscosity correction impacts them, a property also shared

  12. Radiation effect on MHD mixed convection flow of a nanofluid through a porous medium in the presence of chemical reactions

    Directory of Open Access Journals (Sweden)

    Rajnish Kumar

    2016-06-01

    Full Text Available An analysis is made to study radiation effect on MHD (magnetohydrodynamic flow of nanofluid in the presence of chemical reactions and mixed convection due to non-uniform heat source through a porous medium. The model for the nanofluid incorporates and analyses radiation parameter, Brownian motion, thermopheresis and magnetic field consequences. The nonlinear differential equations are solved for different values of governing parameters by using the function ‘bvp4c’ of MATLAB. A comparative study of our result with previously reported results is given. It is worth citing that the thermal boundary layer thickness reduces with rise in unsteadiness of parameter . The decrease in value of thermal radiation means an enhancement in Rosseland absorptivity.

  13. Contact angle hysteresis of cylindrical drops on chemically heterogeneous striped surfaces

    OpenAIRE

    Iwamatsu, Masao

    2005-01-01

    Contact angle hysteresis of a macroscopic droplet on a heterogeneous but flat substrate is studied using the interface displacement model. First, the apparent contact angle of a droplet on a heterogeneous surface under the condition of constant volume is considered. By assuming a cylindrical liquid-vapor surface (meniscus) and minimizing the total free energy, we derive an equation for the apparent contact angle, which is similar but different from the well-known Cassie's law. Next, using thi...

  14. In situ growth of noble metal nanoparticles on graphene oxide sheets and direct construction of functionalized porous-layered structure on gravimetric microsensors for chemical detection.

    Science.gov (United States)

    Xu, Pengcheng; Yu, Haitao; Li, Xinxin

    2012-11-11

    Noble metal nanoparticles are directly and homogeneously grown onto graphene-oxide (GO) sheets in oleylamine. After the oleylamine is removed, the GO sheets are exfoliated by the nanoparticle pillars to further form hierarchical GO nanostructures with molecule accessible nanopores. With specific sensing-groups modified, the porous-layered nanostructure can be constructed onto resonant microcantilevers for chemical sensing.

  15. Efficient Construction of Well-Defined Multicompartment Porous Systems in a Modular and Chemically Orthogonal Fashion.

    Science.gov (United States)

    Gao, Ning; Tian, Tian; Cui, Jiecheng; Zhang, Wanlin; Yin, Xianpeng; Wang, Shiqiang; Ji, Jingwei; Li, Guangtao

    2017-03-27

    A microfluidic assembly approach was developed for efficiently producing hydrogel spheres with reactive multidomains that can be employed as an advantageous platform to create spherical porous networks in a facile manner with well-defined multicompartments and spatiotemporally controlled functions. This strategy allows for not only large scale fabrication of various robust hydrogel microspheres with controlled size and porosity, but also the domains embedded in hydrogel network could be introduced in a modular manner. Additionally, the number of different domains and their ratio could be widely variable on demand. More importantly, the reactive groups distributed in individual domains could be used as anchor sites to further incorporate functional units in an orthogonal fashion, leading to well-defined multicompartment systems. The strategy provides a new and efficient route to construct well-defined functional multicompartment systems with great flexibility and extendibility.

  16. Tailored Porous Materials

    Energy Technology Data Exchange (ETDEWEB)

    BARTON,THOMAS J.; BULL,LUCY M.; KLEMPERER,WALTER G.; LOY,DOUGLAS A.; MCENANEY,BRIAN; MISONO,MAKOTO; MONSON,PETER A.; PEZ,GUIDO; SCHERER,GEORGE W.; VARTULI,JAMES C.; YAGHI,OMAR M.

    1999-11-09

    Tailoring of porous materials involves not only chemical synthetic techniques for tailoring microscopic properties such as pore size, pore shape, pore connectivity, and pore surface reactivity, but also materials processing techniques for tailoring the meso- and the macroscopic properties of bulk materials in the form of fibers, thin films and monoliths. These issues are addressed in the context of five specific classes of porous materials: oxide molecular sieves, porous coordination solids, porous carbons, sol-gel derived oxides, and porous heteropolyanion salts. Reviews of these specific areas are preceded by a presentation of background material and review of current theoretical approaches to adsorption phenomena. A concluding section outlines current research needs and opportunities.

  17. Transfers in heterogeneous environments; Transferts en milieux heterogenes

    Energy Technology Data Exchange (ETDEWEB)

    Flesselles, J.M. [Saint-Gobain Recherche, 93 - Aubervilliers (France); Gouesbet, G.; Mees, L.; Roze, C.; Girasole, Th.; Grehan, G. [Laboratoire d' Electromagnetisme et Systemes Particulaires (LESP), UMR CNRS 6614, CORIA. Universite de Rouen et INSA de Rouen, 76 - Saint-Etienne du Rouvray (France); Goyheneche, J.M.; Vignoles, G.; Coindreau, O. [Laboratoire des Composites Thermostructuraux (LCTS), UMR 5801, 33 - Pessac (France); Moyne, Ch. [LEMTA (UMR 7563) CNRS-INPL-UHP, 54 - Vandoeuvre les Nancy (France); Coussy, O. [Institut Navier - ENPC, 77 - Marne-la-Vallee (France); Lassabatere, Th. [Electricite de France Les Renardieres, Dept. Materiaux Mecanique des Composants, 77 - Moret sur Loing (France); Tadrist, L. [IUSTI - UMR 6595, 13 - Marseille (France)

    2004-07-01

    This document gathers the articles and transparencies of the invited talks given at the 2004 French congress of thermal engineering about transfers in heterogeneous environment. Content: transfer phenomena in industrial glass furnaces; simple and multiple scattering diagnosis by femto-second pulsed laser: application to particulate diagnoses; thermal modeling of thermo-structural composites; hybrid mixtures theory, average volumic measurement, periodical or stochastic homogenization: advance in scale change processes; thermo-hydro-chemical-mechanical coupling in porous medium: application to young concrete structures and to clay barriers of disposal facilities; transfers and flows in fluidization: recent advances and future challenges. (J.S.)

  18. Effects of connate water on chemical flooding processes in porous media

    Energy Technology Data Exchange (ETDEWEB)

    Thibodeau, L.; Neale, G.H. [Department of Chemical Engineering, University of Ottawa, Ottawa, ON (Canada)

    1998-03-12

    This work examines the effects of connate water on the unstable displacement patterns and fractional oil recoveries observed when simulated secondary and tertiary oil displacement processes are conducted in the laboratory. Three displacement systems were investigated; a non-reacting system without surfactant (water displacing non-acidic paraffin oil), a non-reacting system with externally added surfactant (sodium dodecyl sulfate solution displacing non-acidic paraffin oil), and a reacting system with internally generated surfactant (sodium hydroxide solution displacing acidified paraffin oil). A consolidated porous medium constructed of fused glass beads was used to simulate the underground oil reservoir. Each of the three basic displacement processes was conducted both in the absence and presence of connate water, and at three different flow rates. The results obtained indicate that the presence of connate water can exert a significant influence on the displacement pattern with the non-reacting systems, particularly at low flow rates. Some of these effects include an increase in the number of fingers and/or much thinner fingers with many tiny branches. At low flow rates, the presence of connate water tends to decrease the breakthrough oil recovery for the non-surfactant system, but increases the breakthrough recovery for the surfactant-containing systems. At high flow rates, connate water has a much less pronounced effect due to the dominance of viscous forces

  19. Electro-chemical aspects of IPMCs within the framework of the theory of porous media

    Science.gov (United States)

    Leichsenring, P.; Serdas, S.; Wallmersperger, T.; Bluhm, J.; Schröder, J.

    2017-04-01

    Ionomeric polymer–metal composites (IPMCs) consist of an ionomer with bound anionic groups and mobile counterions. They are plated with noble impermeable metal cover layers. By application of an electric voltage, a transport of the mobile ions towards the respective electrode occurs. Due to local electrostatic and ionic forces, a local deformation of the IPMC can be observed. Therefore IPMCs are promising candidates for electrochemical transducers. In the present research, the chemo-electro-mechanical behavior of IPMCs is described within the framework of the theory of porous media. First, the field equations are derived with respect to the second law of thermodynamics. Second, a reduced set of equations for the chemo-electric behavior is formulated and discretized by applying the finite element method. In the numerical investigations a parametric study of the time and space dependent behavior is carried out in order to quantify the influence of different material compositions. Based on this study, the characteristic response of IPMC to the application of an electric voltage can be predicted. Concluding, the obtained computational framework is an excellent tool for the design of electrochemical transducers.

  20. Radiation and chemical reaction effects on MHD Casson fluid flow past an oscillating vertical plate embedded in porous medium

    Directory of Open Access Journals (Sweden)

    Hari R. Kataria

    2016-03-01

    Full Text Available Analytic expression for unsteady free convective hydromagnetic boundary layer Casson fluid flow past an oscillating vertical plate embedded through porous medium in the presence of uniform transverse magnetic field, thermal radiation and chemical reaction is obtained. Both isothermal and ramped wall temperatures are taken into account. The governing equations are solved using Laplace transform technique and the solutions are presented in closed form. The numerical values of Casson fluid velocity, temperature and concentration at the plate are presented graphically for several values of the pertinent parameters. Effect of governing parameters on Skin friction, Nusselt number and Sherwood number is also discussed. Casson parameter γ is inversely proportional to the yield stress and it is observed that for the large value of Casson parameter, the fluid is close to the Newtonian fluid where the velocity is less than the Non-Newtonian fluid. It is seen that velocity increases and Temperature decreases with increase in thermal radiation R. Radiation parameter R signifies the relative contribution of conduction heat transfer to thermal radiation transfer. Concentration decreases tendency with chemical reaction parameter R′.

  1. Lie Group Solution for Free Convective Flow of a Nanofluid Past a Chemically Reacting Horizontal Plate in a Porous Media

    Directory of Open Access Journals (Sweden)

    M. M. Rashidi

    2014-01-01

    Full Text Available The optimal homotopy analysis method (OHAM is employed to investigate the steady laminar incompressible free convective flow of a nanofluid past a chemically reacting upward facing horizontal plate in a porous medium taking into account heat generation/absorption and the thermal slip boundary condition. Using similarity transformations developed by Lie group analysis, the continuity, momentum, energy, and nanoparticle volume fraction equations are transformed into a set of coupled similarity equations. The OHAM solutions are obtained and verified by numerical results using a Runge-Kutta-Fehlberg fourth-fifth order method. The effect of the emerging flow controlling parameters on the dimensionless velocity, temperature, and nanoparticle volume fraction have been presented graphically and discussed. Good agreement is found between analytical and numerical results of the present paper with published results. This close agreement supports our analysis and the accuracy of the numerical computations. This paper also includes a representative set of numerical results for reduced Nusselt and Sherwood numbers in a table for various values of the parameters. It is concluded that the reduced Nusselt number increases with the Lewis number and reaction parameter whist it decreases with the order of the chemical reaction, thermal slip, and generation parameters.

  2. Modeling the kinetics of microbial degradation of deicing chemicals in porous media under flow conditions.

    Science.gov (United States)

    Wehrer, Markus; Jaesche, Philipp; Totsche, Kai Uwe

    2012-09-01

    A quantitative knowledge of the fate of deicing chemicals in the subsurface can be provided by joint analysis of lab experiments with numerical simulation models. In the present study, published experimental data of microbial degradation of the deicing chemical propylene glycol (PG) under flow conditions in soil columns were simulated inversely to receive the parameters of degradation. We evaluated different scenarios of an advection-dispersion model including different terms for degradation, such as zero order, first order and inclusion of a growing and decaying biomass for their ability to explain the data. The general break-through behavior of propylene glycol in soil columns can be simulated well using a coupled model of solute transport and degradation with growth and decay of biomass. The susceptibility of the model to non-unique solutions was investigated using systematical forward and inverse simulations. We found that the model tends to equifinal solutions under certain conditions.

  3. Chimera and chimera-like states in populations of nonlocally coupled homogeneous and heterogeneous chemical oscillators

    Science.gov (United States)

    Nkomo, Simbarashe; Tinsley, Mark R.; Showalter, Kenneth

    2016-09-01

    Chimera and chimera-like states are characterized in populations of photochemically coupled Belousov-Zhabotinsky (BZ) oscillators. Simple chimeras and chimera states with multiple and traveling phase clusters, phase-slip behavior, and chimera-like states with phase waves are described. Simulations with a realistic model of the discrete BZ system of populations of homogeneous and heterogeneous oscillators are compared with each other and with experimental behavior.

  4. Contact angle hysteresis of cylindrical drops on chemically heterogeneous striped surfaces.

    Science.gov (United States)

    Iwamatsu, Masao

    2006-05-15

    Contact angle hysteresis of a macroscopic droplet on a heterogeneous but flat substrate is studied using the interface displacement model. First, the apparent contact angle of a droplet on a heterogeneous surface under the condition of constant volume is considered. By assuming a cylindrical liquid-vapor surface (meniscus) and minimizing the total free energy, we derive an equation for the apparent contact angle, which is similar but different from the well-known Cassie's law. Next, using this modified Cassie's law as a guide to predict the behavior of a droplet on a heterogeneous striped surface, we examine several scenarios of contact angle hysteresis using a periodically striped surface model. By changing the volume of the droplet, we predict a sudden jump of the droplet edge, and a continuous change of the apparent contact angle at the edge of two stripes. Our results suggest that as drop volume is increased (advancing contact lines), the predominant drop configuration observed is the one whose contact angle is large; whereas, decreasing drop volume from a large value (receding contact lines) yields drop configuration that predominantly exhibit the smaller contact angle.

  5. Design and Use of Nanostructured Single-Site Heterogeneous Catalysts for the Selective Transformation of Fine Chemicals

    Directory of Open Access Journals (Sweden)

    Vladimiro Dal Santo

    2010-05-01

    Full Text Available Nanostructured single-site heterogeneous catalysts possess the advantages of classical solid catalysts, in terms of easy recovery and recycling, together with a defined tailored chemical and steric environment around the catalytically active metal site. The use of inorganic oxide supports with selected shape and porosity at a nanometric level may have a relevant impact on the regio- and stereochemistry of the catalytic reaction. Analogously, by choosing the optimal preparation techniques to obtain spatially isolated and well-characterised active sites, it is possible to achieve performances that are comparable to (or, in the most favourable cases, better than those obtained with homogeneous systems. Such catalysts are therefore particularly suitable for the transformation of highly-functionalised fine chemicals and some relevant examples where high chemo-, regio- and stereoselectivity are crucial will be described.

  6. MHD Natural Convection Flow of Casson Nanofluid over Nonlinearly Stretching Sheet Through Porous Medium with Chemical Reaction and Thermal Radiation.

    Science.gov (United States)

    Ullah, Imran; Khan, Ilyas; Shafie, Sharidan

    2016-12-01

    In the present work, the effects of chemical reaction on hydromagnetic natural convection flow of Casson nanofluid induced due to nonlinearly stretching sheet immersed in a porous medium under the influence of thermal radiation and convective boundary condition are performed numerically. Moreover, the effects of velocity slip at stretching sheet wall are also examined in this study. The highly nonlinear-coupled governing equations are converted to nonlinear ordinary differential equations via similarity transformations. The transformed governing equations are then solved numerically using the Keller box method and graphical results for velocity, temperature, and nanoparticle concentration as well as wall shear stress, heat, and mass transfer rate are achieved through MATLAB software. Numerical results for the wall shear stress and heat transfer rate are presented in tabular form and compared with previously published work. Comparison reveals that the results are in good agreement. Findings of this work demonstrate that Casson fluids are better to control the temperature and nanoparticle concentration as compared to Newtonian fluid when the sheet is stretched in a nonlinear way. Also, the presence of suspended nanoparticles effectively promotes the heat transfer mechanism in the base fluid.

  7. MHD Natural Convection Flow of Casson Nanofluid over Nonlinearly Stretching Sheet Through Porous Medium with Chemical Reaction and Thermal Radiation

    Science.gov (United States)

    Ullah, Imran; Khan, Ilyas; Shafie, Sharidan

    2016-11-01

    In the present work, the effects of chemical reaction on hydromagnetic natural convection flow of Casson nanofluid induced due to nonlinearly stretching sheet immersed in a porous medium under the influence of thermal radiation and convective boundary condition are performed numerically. Moreover, the effects of velocity slip at stretching sheet wall are also examined in this study. The highly nonlinear-coupled governing equations are converted to nonlinear ordinary differential equations via similarity transformations. The transformed governing equations are then solved numerically using the Keller box method and graphical results for velocity, temperature, and nanoparticle concentration as well as wall shear stress, heat, and mass transfer rate are achieved through MATLAB software. Numerical results for the wall shear stress and heat transfer rate are presented in tabular form and compared with previously published work. Comparison reveals that the results are in good agreement. Findings of this work demonstrate that Casson fluids are better to control the temperature and nanoparticle concentration as compared to Newtonian fluid when the sheet is stretched in a nonlinear way. Also, the presence of suspended nanoparticles effectively promotes the heat transfer mechanism in the base fluid.

  8. Antireflective porous-silicon coatings for multicrystalline solar cells: the effects of chemical etching and rapid thermal processing

    Energy Technology Data Exchange (ETDEWEB)

    Martin-Palma, R.J.; Martinez-Duart, J.M. [Universidad Autonoma de Madrid (Spain). Dept. de Fisica Aplicada; Instituto de Ciencia des Materiales de Madrid (CSIC) (Spain); Vazquez, L. [Instituto de Ciencia des Materiales de Madrid (CSIC) (Spain); Schnell, M.; Schaefer, S. [Fraunhofer Institute for Solar Energy Systems, Freiburg (Germany)

    2001-08-01

    In this paper, the emitter of multicrystalline silicon solar cells has been chemically etched in order to form porous silicon (PS) layers, usually known as stain-etched PS, to be used at the same time as a selective emitter and as an effective antireflective layer. The optical behaviour of the solar cells in the 250-850 nm wavelength range (5-1.45 eV range) was determined before and after PS formation, resulting in a notable reduction of reflectance after PS formation and a corresponding increase in cell efficiency. The different morphologies of the silicon emitter and metallic contacts, before and after PS formation were analysed by scanning electron microscopy and atomic force microscopy. Furthermore, the electrical properties of both the emitter region and the contacts were investigated, as well as the most significant solar cell parameters before and after PS formation. Finally, the effect of rapid thermal processing in nitrogen and oxygen atmospheres on both the surface morphology and the optical behaviour of PS was studied. (Author)

  9. Modeling and simulation of the chemically induced swelling behavior of anionic polyelectrolyte gels by applying the theory of porous media

    Science.gov (United States)

    Leichsenring, Peter; Wallmersperger, Thomas

    2017-03-01

    Ionic hydrogels belong to the class of polyelectrolyte gels, also known as ionic gels. Their ability to swell or shrink under different environmental conditions such as change of pH, ion concentration or temperature make them promising materials for new sensoric or actuatoric devices. Numerical simulations play a crucial role for further developing hydrogel based devices. In the present contribution, a thermodynamically consistent continuum model based on the theory of porous media is derived. The governing field equations are solved on a one-dimensional domain by applying the finite element method. For the time discretization an Euler backward algorithm is implemented. The hydrogel swelling behavior is triggered by a chemical stimulus and is analyzed in space and time. Two mechanical configurations are considered: the hydrogel free swelling behavior and a mechanically clamped configuration, where the hydrogel swelling is hindered, are evaluated in detail. The presented results lead to a precise understanding of the chemo-electro-mechanical behavior and the driving pressure contributions.

  10. Perturbation analysis of magnetohydrodynamics oscillatory flow on convective-radiative heat and mass transfer of micropolar fluid in a porous medium with chemical reaction

    Directory of Open Access Journals (Sweden)

    Dulal Pal

    2016-03-01

    Full Text Available This paper deals with the perturbation analysis of mixed convection heat and mass transfer of an oscillatory viscous electrically conducting micropolar fluid over an infinite moving permeable plate embedded in a saturated porous medium in the presence of transverse magnetic field. Analytical solutions are obtained for the governing basic equations. The effects of permeability, chemical reaction, viscous dissipation, magnetic field parameter and thermal radiation on the velocity distribution, micro-rotation, skin friction and wall couple stress coefficients are analyzed in detail. The results indicate that the effect of increasing the chemical reaction has a tendency to decrease the skin friction coefficient at the wall, while opposite trend is seen by increasing the permeability parameter of the porous medium. Also micro-rotational velocity distribution increases with an increase in the magnetic field parameter.

  11. Combined Effects of Chemical Reaction and Wall Slip on MHD Flow in a Vertical Wavy Porous Space with Traveling Thermal Waves

    Directory of Open Access Journals (Sweden)

    Ramamoorthy MUTHURAJ

    2013-07-01

    Full Text Available This paper investigates the magnetohydrodynamic (MHD mixed convective heat and mass transfer flow in a vertical wavy porous space in the presence of a heat source with the combined effects of chemical reaction and wall slip condition. The dimensionless governing equations are perturbed into: mean (zeroth-order part and a perturbed part, using amplitude as a small parameter. The perturbed quantities are obtained by perturbation series expansion for small wavelength in which terms of exponential order arise. The results obtained show that the velocity, temperature and concentration fields are appreciably influenced by the presence of chemical reaction, magnetic field, porous medium, heat source/sink parameter and wall slip condition. Further, the results of the skin friction and rate of heat and mass transfer at the wall are presented for various values of parameters entering into the problem and discussed with the help of graphs.

  12. Nanoscale multilayered and porous carbide interphases prepared by pressure-pulsed reactive chemical vapor deposition for ceramic matrix composites

    Energy Technology Data Exchange (ETDEWEB)

    Jacques, S., E-mail: jacques@lcts.u-bordeaux1.fr [LCTS, University of Bordeaux 1, CNRS, Herakles-Safran, CEA, 3 allee de la Boetie, F-33600 Pessac (France); Jouanny, I.; Ledain, O.; Maillé, L.; Weisbecker, P. [LCTS, University of Bordeaux 1, CNRS, Herakles-Safran, CEA, 3 allee de la Boetie, F-33600 Pessac (France)

    2013-06-15

    In Ceramic Matrix Composites (CMCs) reinforced by continuous fibers, a good toughness is achieved by adding a thin film called “interphase” between the fiber and the brittle matrix, which acts as a mechanical fuse by deflecting the matrix cracks. Pyrocarbon (PyC), with or without carbide sub-layers, is typically the material of choice to fulfill this role. The aim of this work was to study PyC-free nanoscale multilayered carbide coatings as interphases for CMCs. Nanoscale multilayered (SiC–TiC){sub n} interphases were deposited by pressure-Pulsed Chemical Vapor Deposition (P-CVD) on single filament Hi-Nicalon fibers and embedded in a SiC matrix sheath. The thicknesses of the carbide interphase sub-layers could be made as low as a few nanometers as evidenced by scanning and transmission electron microscopy. By using the P-ReactiveCVD method (P-RCVD), in which the TiC growth involves consumption of SiC, it was not only possible to obtain multilayered (SiC–TiC){sub n} films but also TiC films with a porous multilayered microstructure as a result of the Kirkendall effect. The porosity in the TiC sequences was found to be enhanced when some PyC was added to SiC prior to total RCVD consumption. Because the porosity volume fraction was still not high enough, the role of mechanical fuse of the interphases could not be evidenced from the tensile curves, which remained fully linear even when chemical attack of the fiber surface was avoided.

  13. Porous carbons

    Indian Academy of Sciences (India)

    Satish M Manocha

    2003-02-01

    Carbon in dense as well as porous solid form is used in a variety of applications. Activated porous carbons are made through pyrolysis and activation of carbonaceous natural as well as synthetic precursors. Pyrolysed woods replicate the structure of original wood but as such possess very low surface areas and poor adsorption capacities. On activation, these exhibit increased adsorption volumes of 0.5–0.8 cm3 /gm and surface areas of 700–1800 m2 /gm depending on activation conditions, whether physical or chemical. Former carbons possess mixed pore size distribution while chemically activated carbons predominantly possess micropores. Thus, these carbons can be used for adsorption of wide distributions of molecules from gas to liquid. The molecular adsorption within the pores is due to single layer or multilayer molecule deposition at the pore walls and hence results in different types of adsorption isotherm. On the other hand, activated carbon fibres with controlled microporous structure and surface area in the range of 2500 m2 /gm can be developed by controlled pyrolysis and physical activation of amorphous carbon fibres. Active carbon fibres with unmatchable pore structure and surface characteristics are present and futuristic porous materials for a number of applications from pollution control to energy storage.

  14. Kinetics of microbial degradation of deicing chemicals in percolated porous media - the modeling perspective

    Science.gov (United States)

    Wehrer, Markus; Lissner, Heidi; Totsche, Kai

    2013-04-01

    A quantitative knowledge of the fate of deicing chemicals in the subsurface can be provided by analysis of laboratory and field experiments with numerical simulation models. In the present study, experimental data of microbial degradation of the deicing chemical propylene glycol (PG) under flow conditions in soil columns and field lysimeters were simulated to analyze the process conditions of degradation and to obtain the according parameters. Results from the column experiment were evaluated applying different scenarios of an advection-dispersion model using HYDRUS-1D. To reconstruct the data, different competing degradation models were included, i.e., zero order, first order and inclusion of a growing and decaying biomass. The general breakthrough behavior of propylene glycol in soil columns can be simulated well using a coupled model of solute transport and degradation with growth and decay of biomass. The susceptibility of the model to non-unique solutions was investigated using systematical forward and inverse simulations. We found that the model tends to equifinal solutions under certain conditions. Complex experimental boundary conditions can help to avoid this. Under field conditions, the situation is far more complex than in the laboratory. Studying the fate of PG with undisturbed lysimeters we found that aerobic and anaerobic degradation occurs simultaneously. We attribute this to the physical structure and the aggregated nature of the undisturbed soil material . This results in the presence of spatially disjoint oxidative and reductive regions of microbial activity and requires, but is not fully reflected by a dual porosity model. Currently, the numerical simulation of this system is in progress, considering several flow and transport models. A stochastic global search algorithm (DREAM-ZS) is used in conjuction with HYDRUS-1D to avoid local minima in the inverse simulations. The study shows the current limitations and potentials of modeling degradation

  15. Physical and Chemical Structures of Porous Carbon and Their Characterizations%多孔炭物理化学结构及其表征

    Institute of Scientific and Technical Information of China (English)

    吴明铂; 郑经堂; 邱介山

    2011-01-01

    Porous carbons with well-developed multi-scale pore structures and diversifying chemical functional groups have been widely used in many industrial fields including adsorption,separation,catalyst,etc. In this paper,the pore structure and surface chemical structure of porous carbon are discussed. Techniques including SEM and TEM to observe directly pore structures of porous carbon are introduced. Main theories and methods including micropore filling theory,mean-field density functional theory,and adsorption of porous carbon and methods including Boehm titration, X-ray photoelectron spectroscopy, FTIR, Raman spectra, and temperature programmed desorption ( TPD) to characterize the surface chemical structure of porous carbon are summarized. Finally,the progresses on the pore and chemical structures of porous carbon are reviewed.%以碳为基本骨架的多孔炭因具有丰富的孔隙结构和表面化学宫能团,在吸附分离、催化、电子等领域应用广泛.在阐述多孔炭孔结构(物理结构)和表面化学宫能团(化学结构)基础上,重点介绍了透射电镜等可直接观察多孔炭孔结构的表征方法及Dubinin微孔充填理论、平均场密度泛函理论、吸附法、压汞法等表征多孔炭孔结构的主要理论及方法,以及Boehm滴定、X光电子能谱、傅里叶变换红外、拉曼光谱、程序升温脱附等表征多孔炭表面化学结构的常用方法,在此基础上综述了多孔炭物理化学结构方面的最新研究进展.

  16. Studies on degradation of glyphosate by several oxidative chemical processes: ozonation, photolysis and heterogeneous photocatalysis.

    Science.gov (United States)

    Assalin, Marcia R; De Moraes, Sandra G; Queiroz, Sonia C N; Ferracini, Vera L; Duran, Nelson

    2010-01-01

    Several different Advanced Oxidation Processes (AOPs) including ozonation at pH 6.5 and 10, photolysis and heterogeneous photocatalysis using TiO(2) as semiconductor and dissolved oxygen as electron acceptor were applied to study the degradation of glyphosate (N-phosphonomethyl glycine) in water. The degree of glyphosate degradation, the reactions kinetic and the formation of the major metabolite, aminomethyl phosphonic acid (AMPA), were evaluated. Ozonation at pH 10 resulted in the maximum mineralization of glyphosate. It was observed that under the experimental conditions used in this study the degradation of glyphosate followed the first-order kinetics. The half-life obtained for glyphosate degradation in the O(3)/pH 10 process was 1.8 minutes.

  17. Advanced Biocatalytic Processing of Heterogeneous Lignocellulosic Feedstocks to a Platform Chemical Intermediate (Lactic acid Ester)

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Sharon Shoemaker

    2004-09-03

    The development of commercial boi-based processes and products derived from agricultural waste biomass has the potential for significant impact on the economy and security of our nation. Adding value, rather than disposing of the waste of agriculture, can solve an environmental problem and reduce our dependence on foreign sources of fossil fuel for production of chemicals, materials and fuels.

  18. Heterogeneity in physical, chemical and plankton-community structures in Lake Tanganyika

    NARCIS (Netherlands)

    Langenberg, V.T.; Tumba, J.M.; Tshibangu, K.; Lukwesa, C.; Chitamwebwa, D.; Bwebwa, D.; Makasa, L.; Roijackers, R.M.M.

    2008-01-01

    From 28 August to 6 September 1995, we monitored the lake-wide physical, chemical and biological properties of the pelagic waters in Lake Tanganyika. The aim of this study was to examine the spatial environmental variability and its relation to fluctuations in plankton abundance and community assemb

  19. Advances in cheminformatics methodologies and infrastructure to support the data mining of large, heterogeneous chemical datasets.

    Science.gov (United States)

    Guha, Rajarshi; Gilbert, Kevin; Fox, Geoffrey; Pierce, Marlon; Wild, David; Yuan, Huapeng

    2010-03-01

    In recent years, there has been an explosion in the availability of publicly accessible chemical information, including chemical structures of small molecules, structure-derived properties and associated biological activities in a variety of assays. These data sources present us with a significant opportunity to develop and apply computational tools to extract and understand the underlying structure-activity relationships. Furthermore, by integrating chemical data sources with biological information (protein structure, gene expression and so on), we can attempt to build up a holistic view of the effects of small molecules in biological systems. Equally important is the ability for non-experts to access and utilize state of the art cheminformatics method and models. In this review we present recent developments in cheminformatics methodologies and infrastructure that provide a robust, distributed approach to mining large and complex chemical datasets. In the area of methodology development, we highlight recent work on characterizing structure-activity landscapes, Quantitative Structure Activity Relationship (QSAR) model domain applicability and the use of chemical similarity in text mining. In the area of infrastructure, we discuss a distributed web services framework that allows easy deployment and uniform access to computational (statistics, cheminformatics and computational chemistry) methods, data and models. We also discuss the development of PubChem derived databases and highlight techniques that allow us to scale the infrastructure to extremely large compound collections, by use of distributed processing on Grids. Given that the above work is applicable to arbitrary types of cheminformatics problems, we also present some case studies related to virtual screening for anti-malarials and predictions of anti-cancer activity.

  20. Atrazine degradation using chemical-free process of USUV: Analysis of the micro-heterogeneous environments and the degradation mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Xu, L.J., E-mail: xulijie827@gmail.com [Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon (Hong Kong); Chu, W., E-mail: cewchu@polyu.edu.hk [Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon (Hong Kong); Graham, Nigel, E-mail: n.graham@imperial.ac.uk [Department of Civil and Environmental Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom)

    2014-06-30

    Graphical abstract: - Highlights: • Two chemical-free AOP processes are combined to enhance atrazine degradation. • ATZ degradation in sonophotolytic process was analyzed using a previous proposed model. • The micro-bubble/liquid heterogeneous environments in sonolytic processes were investigated. • The salt effects on different sonolytic processes were examined. • ATZ degradation mechanisms were investigated and pathways were proposed. - Abstract: The effectiveness of sonolysis (US), photolysis (UV), and sonophotolysis (USUV) for the degradation of atrazine (ATZ) was investigated. An untypical kinetics analysis was found useful to describe the combined process, which is compatible to pseudo first-order kinetics. The heterogeneous environments of two different ultrasounds (20 and 400 kHz) were evaluated. The heterogeneous distribution of ATZ in the ultrasonic solution was found critical in determining the reaction rates at different frequencies. The presence of NaCl would promote/inhibit the rates by the growth and decline of “salting out” effect and surface tension. The benefits of combining these two processes were for the first time investigated from the aspect of promoting the intermediates degradation which were resistant in individual processes. UV caused a rapid transformation of ATZ to 2-hydroxyatrazine (OIET), which was insensitive to UV irradiation; however, US and USUV were able to degrade OIET and other intermediates through • OH attack. On the other hand, UV irradiation also could promote radical generation via H{sub 2}O{sub 2} decomposition, thereby resulting in less accumulation of more hydrophilic intermediates, which are difficult to degradation in the US process. Reaction pathways for ATZ degradation by all three processes are proposed. USUV achieved the greatest degree of ATZ mineralization with more than 60% TOC removed, contributed solely by the oxidation of side chains. Ammeline was found to be the only end-product in both US

  1. Chemical and physical transformations of aluminosilicate clay minerals due to acid treatment and consequences for heterogeneous ice nucleation.

    Science.gov (United States)

    Sihvonen, Sarah K; Schill, Gregory P; Lyktey, Nicholas A; Veghte, Daniel P; Tolbert, Margaret A; Freedman, Miriam Arak

    2014-09-25

    Mineral dust aerosol is one of the largest contributors to global ice nuclei, but physical and chemical processing of dust during atmospheric transport can alter its ice nucleation activity. In particular, several recent studies have noted that sulfuric and nitric acids inhibit heterogeneous ice nucleation in the regime below liquid water saturation in aluminosilicate clay minerals. We have exposed kaolinite, KGa-1b and KGa-2, and montmorillonite, STx-1b and SWy-2, to aqueous sulfuric and nitric acid to determine the physical and chemical changes that are responsible for the observed deactivation. To characterize the changes to the samples upon acid treatment, we use X-ray diffraction, transmission electron microscopy, and inductively coupled plasma-atomic emission spectroscopy. We find that the reaction of kaolinite and montmorillonite with aqueous sulfuric acid results in the formation of hydrated aluminum sulfate. In addition, sulfuric and nitric acids induce large structural changes in montmorillonite. We additionally report the supersaturation with respect to ice required for the onset of ice nucleation for these acid-treated species. On the basis of lattice spacing arguments, we explain how the chemical and physical changes observed upon acid treatment could lead to the observed reduction in ice nucleation activity.

  2. Asian dust storm observed at a rural mountain site in southern China: chemical evolution and heterogeneous photochemistry

    Directory of Open Access Journals (Sweden)

    W. Nie

    2012-12-01

    Full Text Available Heterogeneous processes on dust particles are important for understanding the chemistry and radiative balance of the atmosphere. This paper investigates an intense Asian dust storm episode observed at Mount Heng (1269 m a.s.l. in southern China on 24–26 April 2009. A set of aerosol and trace gas data collected during the study was analyzed to investigate their chemical evolution and heterogeneous photochemistry as the dust traveled to southern China. Results show that the mineral dust arriving at Mt. Heng experienced significant modifications during transport, with large enrichments in secondary species (sulfate, nitrate, and ammonium compared with the dust composition collected at an upwind mountain top site (Mount Hua. A photochemical age "clock" (−Log10(NOx/NOy was employed to quantify the atmospheric processing time. The result indicates an obvious increase in the abundance of secondary water-soluble ions in dust particles with the air mass atmospheric processing time. Based on the observations, a 4-stage evolution process is proposed for carbonate-containing Asian dust, starting from fresh dust to particles coated with hydrophilic and acidic materials. Daytime-enhanced nitrite formation on the dust particles was also observed, which indicates the recent laboratory result of the TiO2 photocatalysis of NO2 as a potential source of nitrite and nitrous acid.

  3. Asian dust storm observed at a rural mountain site in Southern China: chemical evolution and heterogeneous photochemistry

    Directory of Open Access Journals (Sweden)

    W. Nie

    2012-08-01

    Full Text Available Heterogeneous processes on dust particles are important for understanding the chemistry and radiative balance of the atmosphere. This paper investigates an intense Asian dust storm episode observed at Mount Heng (1250 m a.s.l. in Southern China on 24–26 April 2009. A set of aerosol and trace gas data collected during the study was analyzed to investigate their chemical evolution and heterogeneous photochemistry as the dust traveled to Southern China. Results show that the mineral dust arriving at Mt. Heng experienced significant modifications during transport, with large enrichments in secondary species (sulfate, nitrate, and ammonium compared with the dust composition collected at an upwind mountain top site (Mount Hua. A photochemical age "clock" (−log10(NOx/NOy was employed to quantify the atmospheric processing time. The result indicates an obvious increase in the abundance of secondary water-soluble ions in dust particles with the air mass' photochemical age. Based on the observations, a 4-stage evolution process is proposed for carbonate-rich Asian dust, starting from fresh dust to particles coated with hydrophilic and acidic materials. Daytime-enhanced nitrite formation on the dust particles was also observed, which indicates the recent laboratory result of the TiO2 photocatalysis of NO2 as a potential source of nitrite and nitrous acid.

  4. Homogenization of the transport behavior of nonlinearly adsorbing pollutants in physically and chemically heterogeneous aquifers

    Science.gov (United States)

    Attinger, Sabine; Dimitrova, Jiva; Kinzelbach, Wolfgang

    2009-05-01

    This paper addresses the question of how spatial variability in the hydraulic and chemical properties of groundwater systems affects the transport and sorption behavior of pollutants at the field scale. In this paper, we limit our investigations on pollutants that adsorb according to an equilibrium controlled nonlinear Freundlich sorption isotherm. The new contribution of this paper is take into account not only spatially variable Freundlich distribution coefficients KS but spatially variable Freundlich nonlinearity parameters p as well. Using a homogenization theory approach, we shortly review the impact of spatially variable hydraulic properties on the transport and extend the theory to spatially variable chemical properties. We show that spatially variable Freundlich exponents cause a very different field scale transport and sorption behavior than spatial variations in the distribution coefficients only since in the first case field scale Freundlich parameters and field scale dispersion coefficients become concentration dependent. In particular, field scale retardation is much larger than small-scale retardation.

  5. Heterogeneity of Physico-Chemical Properties in Structured Soils and Its Consequences

    Institute of Scientific and Technical Information of China (English)

    E. JASINSKA; H. WETZEL; T. BAUMGARTL; R. HORN

    2006-01-01

    Structured soils are characterized by the presence of inter- and intra-aggregate pore systems and aggregates, which show varying chemical, physical, and biological properties depending on the aggregate type and land use system. How far these aspects also affect the ion exchange processes and to what extent the interaction between the carbon distribution and kind of organic substances affect the internal soil strength as well as hydraulic properties like wettability are still under discussion. Thus, the objective of this research was to clarify the effect of soil aggregation on physical and chemical properties of structured soils at two scales: homogenized material and single aggregates. Data obtained by sequentially peeling off soil aggregates layers revealed gradients in the chemical composition from the aggregate surface to the aggregatecore. In aggregates from long term untreated forest soils we found lower amounts of carbon in the external layer, while in arable soils the differentiation was not pronounced. However, soil aggregates originating from these sites exhibited a higher concentration of microbial activity in the outer aggregate layer and declined towards the interior. Furthermore,soil depth and the vegetation type affected the wettability. Aggregate strength depended on water suction and differences in tillage treatments.

  6. Adsorption of heterogeneously charged nanoparticles on a variably charged surface by the extended surface complexation approach: Charge regulation, chemical heterogeneity, and surface complexation

    NARCIS (Netherlands)

    Saito, T.; Koopal, L.K.; Nagasaki, S.; Tanaka, S.

    2008-01-01

    Adsorption of randomly branched polyelectrolytes, hairy particles and internally structured macromolecules, collectively denoted as heterogeneously charged nanoparticles, on charged surfaces is important in. many technological and natural processes. In this paper, we will focus on (1) the charge reg

  7. Chemically Reacting MHD Boundary Layer Flow of Heat and Mass Transfer over a Moving Vertical Plate in a Porous Medium with Suction

    Directory of Open Access Journals (Sweden)

    K. GANGADHAR

    2013-01-01

    Full Text Available A mathematical model is presented for a two-dimensional, steady, incompressible electrically conducting, laminar free convection boundary layer flow of a continuously moving vertical porous plate in a chemically reactive and porous medium in the presence of a transverse magnetic field. The basic equations governing the flow are in the form of partial differential equations and have been reduced to a set of non-linear ordinary differential equations by applying suitable similarity transformations. The problem is tackled numerically using shooting techniques with the forth order Runga-Kutta method. Pertinent results with respect to embedded parameters are displayed graphically for the velocity,temperature and concentration profiles and were discussed quantitatively.

  8. OpenGeoSys: An open-source initiative for numerical simulation of thermo-hydro-mechanical/chemical (THM/C) processes in porous media

    DEFF Research Database (Denmark)

    Kolditz, O.; Bauer, S.; Bilke, L.

    In this paper we describe the OpenGeoSys (OGS) project, which is a scientific open-source initiative for numerical simulation of thermo-hydro-mechanical/chemical processes in porous media. The basic concept is to provide a flexible numerical framework (using primarily the Finite Element Method (FEM......)) for solving multi-field problems in porous and fractured media for applications in geoscience, hydrology and energy storage. To this purpose OGS is based on an object-oriented FEM concept including a broad spectrum of interfaces for pre- and postprocessing. The OGS idea has been in development since the mid......, the parallelization of OO codes still lacks efficiency. High-performance-computing efficiency of OO codes is subject to future research (Wang et al. [2]). Currently, OGS development efforts are dedicated to visual data and model integration for complex hydrological applications (Rink et al. [3])...

  9. Morphological and optical properties changes in nanocrystalline Si (nc-Si) deposited on porous aluminum nanostructures by plasma enhanced chemical vapor deposition for Solar energy applications

    Energy Technology Data Exchange (ETDEWEB)

    Ghrib, M., E-mail: mondherghrib@yahoo.fr [Laboratoire de Photovoltaique (L.P.V.), Centre de Recherche et des Technologies de l' Energie, BP 95, Hammam-Lif 2050 (Tunisia); Gaidi, M.; Ghrib, T.; Khedher, N. [Laboratoire de Photovoltaique (L.P.V.), Centre de Recherche et des Technologies de l' Energie, BP 95, Hammam-Lif 2050 (Tunisia); Ben Salam, M. [L3M, Department of Physics, Faculty of Sciences of Bizerte, 7021 Zarzouna (Tunisia); Ezzaouia, H. [Laboratoire de Photovoltaique (L.P.V.), Centre de Recherche et des Technologies de l' Energie, BP 95, Hammam-Lif 2050 (Tunisia)

    2011-08-15

    Photoluminescence (PL) spectroscopy was used to determine the electrical band gap of nanocrystalline silicon (nc-Si) deposited by plasma enhancement chemical vapor deposition (PECVD) on porous alumina structure by fitting the experimental spectra using a model based on the quantum confinement of electrons in Si nanocrystallites having spherical and cylindrical forms. This model permits to correlate the PL spectra to the microstructure of the porous aluminum silicon layer (PASL) structure. The microstructure of aluminum surface layer and nc-Si films was systematically studied by atomic force microscopy (AFM), transmission electron microscopy (TEM), Raman spectroscopy and X-ray diffraction (XRD). It was found that the structure of the nanocrystalline silicon layer (NSL) is dependent of the porosity (void) of the porous alumina layer (PAL) substrate. This structure was performed in two steps, namely the PAL substrate was prepared using sulfuric acid solution attack on an Al foil and then the silicon was deposited by plasma enhanced chemical vapor deposition (PECVD) on it. The optical constants (n and k as a function of wavelength) of the deposited films were obtained using variable angle spectroscopic ellipsometry (SE) in the UV-vis-NIR regions. The SE spectrum of the porous aluminum silicon layer (PASL) was modeled as a mixture of void, crystalline silicon and aluminum using the Cauchy model approximation. The specific surface area (SSA) was estimated and was found to decrease linearly when porosity increases. Based on this full characterization, it is demonstrated that the optical characteristics of the films are directly correlated to their micro-structural properties.

  10. Method of porous diamond deposition on porous silicon

    Science.gov (United States)

    Baranauskas, Vitor; Peterlevitz, Alfredo C.; Chang, Dahge C.; Durrant, Steven F.

    2001-12-01

    In this paper, we discuss the experimental results of the fabrication of porous diamond/porous silicon and porous diamond structures by chemical vapor deposition of diamond over a skeleton of porous silicon, replicating the porous surface geometry around the Si pores and also creating new porous diamond structures. Scanning electron microscopy (SEM) revealed that the diamond nuclei are deposited on the top of the porous silicon skeleton, forming isolated grains in the first nucleation stages, and then growing like the usual structure of most ceramic materials, making a self-sustained porous diamond structure. Raman spectroscopy revealed that the diamond films are of good quality, close to that of diamond films grown on crystalline silicon.

  11. Fabrication and Characterization of a Porous Silicon Drug Delivery System with an Initiated Chemical Vapor Deposition Temperature-Responsive Coating.

    Science.gov (United States)

    McInnes, Steven J P; Szili, Endre J; Al-Bataineh, Sameer A; Vasani, Roshan B; Xu, Jingjing; Alf, Mahriah E; Gleason, Karen K; Short, Robert D; Voelcker, Nicolas H

    2016-01-12

    This paper reports on the fabrication of a pSi-based drug delivery system, functionalized with an initiated chemical vapor deposition (iCVD) polymer film, for the sustainable and temperature-dependent delivery of drugs. The devices were prepared by loading biodegradable porous silicon (pSi) with a fluorescent anticancer drug camptothecin (CPT) and coating the surface with temperature-responsive poly(N-isopropylacrylamide-co-diethylene glycol divinyl ether) (pNIPAM-co-DEGDVE) or non-stimulus-responsive poly(aminostyrene) (pAS) via iCVD. CPT released from the uncoated oxidized pSi control with a burst release fashion (∼21 nmol/(cm(2) h)), and this was almost identical at temperatures both above (37 °C) and below (25 °C) the lower critical solution temperature (LCST) of the switchable polymer used, pNIPAM-co-DEGDVE (28.5 °C). In comparison, the burst release rate from the pSi-pNIPAM-co-DEGDVE sample was substantially slower at 6.12 and 9.19 nmol/(cm(2) h) at 25 and 37 °C, respectively. The final amount of CPT released over 16 h was 10% higher at 37 °C compared to 25 °C for pSi coated with pNIPAM-co-DEGDVE (46.29% vs 35.67%), indicating that this material can be used to deliver drugs on-demand at elevated temperatures. pSi coated with pAS also displayed sustainable drug delivery profiles, but these were independent of the release temperature. These data show that sustainable and temperature-responsive delivery systems can be produced by functionalization of pSi with iCVD polymer films. Benefits of the iCVD approach include the application of the iCVD coating after drug loading without causing degradation of the drug commonly caused by exposure to factors such as solvents or high temperatures. Importantly, the iCVD process is applicable to a wide array of surfaces as the process is independent of the surface chemistry and pore size of the nanoporous matrix being coated.

  12. Unsteady Natural Convective Flow over an Impulsively Started Semi-Infinite Vertical Plate in the Presence of Porous Medium with Chemical Reaction

    Directory of Open Access Journals (Sweden)

    LOGANATHAN PARASURAM

    2016-01-01

    Full Text Available An investigation is carried out to analyze the effects of heat and mass transfer over an impulsively started vertical plate in the presence of porous medium with chemical reaction. The unsteady, non-linear, coupled partial differential equations are solved by implicit finite difference scheme of Crank Nicolson type. The influence of various parameters like Prandtl number, Schmidt number, first order chemical reaction on the velocity, temperature and concentration are analyzed. The local skin friction, local Nusselt number, local Sherwood number, average skin friction, average Nusselt number and average Sherwood numbers are investigated. It is observed that the velocity and concentration boundary layer decreases with increasing chemical reaction. An increase in the Schmidt number reduces the concentration boundary layer thickness.

  13. On Combined Effects of Heat Transfer and Chemical Reaction for the Flow through an Asymmetric Channel with Orthogonally Deformable Porous Walls

    Directory of Open Access Journals (Sweden)

    Syed Tauseef Mohyud-Din

    2016-01-01

    Full Text Available The combined effects of heat transfer and chemical reaction are studied for the flow through a semi-infinite asymmetric channel with orthogonally deformable porous walls. The similarity transforms have been used to reduce the conservation laws to a corresponding system of nonlinear ordinary differential equations. The resulting equations are solved, both analytically and numerically, by using Homotopy Analysis Method (HAM and the fourth-order Runge-Kutta (RK-4 method, respectively. The convergence of the analytical solution is assured through the so-called total squared residual error analysis. The optimal values of auxiliary parameters are obtained by minimizing the total squared residual error.

  14. Chemical Reaction Effects on an Unsteady MHD Free Convection Fluid Flow past a Semi-Infinite Vertical Plate Embedded in a Porous Medium with Heat Absorption

    Directory of Open Access Journals (Sweden)

    J. Anand Rao

    2012-01-01

    Full Text Available In the present paper , an analysis is carried out the chemical reaction effects on an unsteady magneto hydrodynamics (MHD free convection fluid flow past a semi-infinite vertical plate embedded in a porous medium with heat absorption was formulated. The non dimensional governing equations are formed with the help of suitable dimensionless governing parameter. The resultant coupled non dimensional governing equations are solved by a finite element method. The effect of important physical parameters on the velocity, temperature and concentration are shown graphically and also discussed the skin-friction coefficient, Nusselt number and Sherwood number are shown in tables.

  15. Effects of chemical reaction in thermal and mass diffusion of micropolar fluid saturated in porous regime with radiation and ohmic heating

    Directory of Open Access Journals (Sweden)

    Kumar Hitesh

    2016-01-01

    Full Text Available The present paper analyzes the chemically reacting free convection MHD micropolar flow, heat and mass transfer in porous medium past an infinite vertical plate with radiation and viscous dissipation. The non-linear coupled partial differential equations are solved numerically using an implicit finite difference scheme known as Keller-box method. The results for concentration, transverse velocity, angular velocity and temperature are obtained and effects of various parameters on these functions are presented graphically. The numerical discussion with physical interpretations for the influence of various parameters also presented.

  16. MHD Flow and Heat Transfer of Nanofluids through a Porous Media Due to a Stretching Sheet with Viscous Dissipation and Chemical Reaction Effects

    Science.gov (United States)

    Yirga, Y.; Shankar, B.

    2015-09-01

    This article investigates the convective heat and mass transfer in nanofluid flow through a porous media due to a stretching sheet subjected to magnetic field, viscous dissipation, chemical reaction, and Soret effects. The governing equations are reduced to ordinary differential equations using similarity transformations and then solved numerically by the Keller box method. Numerical results are obtained for the skin friction coefficient, Nusselt number, Sherwood number, as well as for the velocity, temperature, and concentration profiles for selected values of the governing parameters. Excellent validation of the present numerical results has been achieved with the earlier studies in the literature.

  17. Advances and recent trends in heterogeneous photo(electro)-catalysis for solar fuels and chemicals.

    Science.gov (United States)

    Highfield, James

    2015-04-15

    In the context of a future renewable energy system based on hydrogen storage as energy-dense liquid alcohols co-synthesized from recycled CO2, this article reviews advances in photocatalysis and photoelectrocatalysis that exploit solar (photonic) primary energy in relevant endergonic processes, viz., H2 generation by water splitting, bio-oxygenate photoreforming, and artificial photosynthesis (CO2 reduction). Attainment of the efficiency (>10%) mandated for viable techno-economics (USD 2.00-4.00 per kg H2) and implementation on a global scale hinges on the development of photo(electro)catalysts and co-catalysts composed of earth-abundant elements offering visible-light-driven charge separation and surface redox chemistry in high quantum yield, while retaining the chemical and photo-stability typical of titanium dioxide, a ubiquitous oxide semiconductor and performance "benchmark". The dye-sensitized TiO2 solar cell and multi-junction Si are key "voltage-biasing" components in hybrid photovoltaic/photoelectrochemical (PV/PEC) devices that currently lead the field in performance. Prospects and limitations of visible-absorbing particulates, e.g., nanotextured crystalline α-Fe2O3, g-C3N4, and TiO2 sensitized by C/N-based dopants, multilayer composites, and plasmonic metals, are also considered. An interesting trend in water splitting is towards hydrogen peroxide as a solar fuel and value-added green reagent. Fundamental and technical hurdles impeding the advance towards pre-commercial solar fuels demonstration units are considered.

  18. Advances and Recent Trends in Heterogeneous Photo(Electro-Catalysis for Solar Fuels and Chemicals

    Directory of Open Access Journals (Sweden)

    James Highfield

    2015-04-01

    Full Text Available In the context of a future renewable energy system based on hydrogen storage as energy-dense liquid alcohols co-synthesized from recycled CO2, this article reviews advances in photocatalysis and photoelectrocatalysis that exploit solar (photonic primary energy in relevant endergonic processes, viz., H2 generation by water splitting, bio-oxygenate photoreforming, and artificial photosynthesis (CO2 reduction. Attainment of the efficiency (>10% mandated for viable techno-economics (USD 2.00–4.00 per kg H2 and implementation on a global scale hinges on the development of photo(electrocatalysts and co-catalysts composed of earth-abundant elements offering visible-light-driven charge separation and surface redox chemistry in high quantum yield, while retaining the chemical and photo-stability typical of titanium dioxide, a ubiquitous oxide semiconductor and performance “benchmark”. The dye-sensitized TiO2 solar cell and multi-junction Si are key “voltage-biasing” components in hybrid photovoltaic/photoelectrochemical (PV/PEC devices that currently lead the field in performance. Prospects and limitations of visible-absorbing particulates, e.g., nanotextured crystalline α-Fe2O3, g-C3N4, and TiO2 sensitized by C/N-based dopants, multilayer composites, and plasmonic metals, are also considered. An interesting trend in water splitting is towards hydrogen peroxide as a solar fuel and value-added green reagent. Fundamental and technical hurdles impeding the advance towards pre-commercial solar fuels demonstration units are considered.

  19. Nano-porous sponges and proven chemical reactions for the trapping and sensing of halogenated gaseous compounds; Le piegeage et la detection de composes halogenes gazeux. Utilisation d'eponges nanoporeuses et de reactions chimiques

    Energy Technology Data Exchange (ETDEWEB)

    Banet, P. [Universite de Cergy Pontoise, Lab. de Physico-Chimie des Polymeres et des Interfaces (LPPI), 95 - Neuville sur Oise (France); Cantau, C. [Institut de Chimie de la Matiere Condensee (ICMCB-CNRS), 33 - Pessac (France); Rivron, C.; Tran-Thi, T.H. [CEA Saclay (DSM/DRECAM/SPAM), Lab. Francis Perrin, URA CEA-CNRS 2453, 91 - Gif-sur-Yvette (France)

    2009-06-15

    The literature is well illustrated with examples of porous materials elaborated via the sol-gel process, which display high adsorption surface area suitable for the trapping of volatile organic compounds (VOC). Very often, the porous network of these materials is randomly distributed in terms of pore size. However, some materials can display very ordered nano-structures with uniform pore sizes or hierarchical structures with microscopic (< 2 nm) and mesoscopic (2-60 nm) domains. The utility of such organized media and the possibility of reproducing liquid phase chemical reactions in these confined environments are here discussed with regards to their potentiality as sensitive layers of chemical sensors for the detection of gaseous pollutants. To illustrate the potentiality of the porous materials and the importance of the chemical reactivity at gas-solid interfaces, an example of a chemical sensor which detects chlorine, a toxic industrial gas encountered in microelectronics and semiconductor industries, will be given. (authors)

  20. Porous silicon gettering

    Energy Technology Data Exchange (ETDEWEB)

    Tsuo, Y.S.; Menna, P.; Al-Jassim, M. [National Renewable Energy Lab., Golden, CO (United States)] [and others

    1995-08-01

    We have studied a novel extrinsic gettering method that utilizes the very large surface areas, produced by porous silicon etch on both front and back surfaces of the silicon wafer, as gettering sites. In this method, a simple and low-cost chemical etching is used to generate the porous silicon layers. Then, a high-flux solar furnace (HFSF) is used to provide high-temperature annealing and the required injection of silicon interstitials. The gettering sites, along with the gettered impurities, can be easily removed at the end the process. The porous silicon removal process consists of oxidizing the porous silicon near the end the gettering process followed by sample immersion in HF acid. Each porous silicon gettering process removes up to about 10 {mu}m of wafer thickness. This gettering process can be repeated so that the desired purity level is obtained.

  1. Effect of Alkali-Acid-Heat Chemical Surface Treatment on Electron Beam Melted Porous Titanium and Its Apatite Forming Ability

    NARCIS (Netherlands)

    Bsat, S.; Yavari, S.; Munsch, M.; Valstar, E.R.; Zadpoor, A.A.

    2015-01-01

    Advanced additive manufacturing techniques such as electron beam melting (EBM), can produce highly porous structures that resemble the mechanical properties and structure of native bone. However, for orthopaedic applications, such as joint prostheses or bone substitution, the surface must also be bi

  2. 手性有机多孔材料在多相不对称催化中的应用研究进展%Advances in Chiral Porous Organic Polymers for Heterogeneous Asymmetric Catalysis

    Institute of Scientific and Technical Information of China (English)

    李延伟; 王昌安

    2015-01-01

    Porous organic polymers ( POPs) have become one of a frontier of the research in recent years . POPs include amorphous ( eg CMP, HCP, PIM, etc.) and crystalline ( eg COFs etc.) porous organic poly-mers.Due to their inherent porosity , large specific surface area , light weight and easy functionalization at the molecular level , POPs have recently received significant attention for potential applications in gas storage /sep-aration, organic photoelectric, sensoring and heterogeneous catalysis .Here, this review focuses on recent ad-vances of Chiral POPs in heterogeneous asymmetric catalysis .Currently , the research on the application of Chiral POPs for heterogeneous asymmetric catalysis is classified into two sections: a ) "bottom-up"embed-ding chiral metal-ligand catalyst into POPs for heterogeneous asymmetric catalysis; b) "bottom -up"em-bedding chiral organocatalyst into POPs for heterogeneous asymmetric organocatalyst .Benefiting from its struc-tural superiority , these functional POPs exhibit excellent catalytic activity .%近年来,有机多孔材料成为研究的前沿和热点领域之一。有机多孔材料POPs ( Porous Organic Polymers)包括非晶型有机多孔材料(比如CMP,HCP,PIM等)和晶型有机多孔材料(比如COFs等)。由于其具有优异的孔性质、较大的比表面积、稳定性好、重量轻以及易与功能化等诸多优点,有机多孔材料被广泛应用于气体存储分离、传感、有机光电和多相催化等重要领域。伴随着均相催化尤其是不对称催化的巨大发展,将有机多孔材料与手性催化剂结合起来构建手性有机多孔材料,并将其应用于多相不对称催化的研究越来越受到重视。目前,关于手性有机多孔材料在多相不对称催化领域应用的研究工作主要有两类:一类是通过“bottom-up”策略将手性配体-金属类催化剂嵌入有机多孔材料骨架来构建多相催化剂;一类是通过

  3. Chemical reaction effects on unsteady MHD free convective flow in a rotating porous medium with mass transfer

    Directory of Open Access Journals (Sweden)

    Govindarajan Arunachalam

    2014-01-01

    Full Text Available An investigation of unsteady MHD free convective flow and mass transfer during the motion of a viscous incompressible fluid through a porous medium, bounded by an infinite vertical porous surface, in a rotating system is presented. The porous plane surface and the porous medium are assumed to rotate in a solid body rotation. The vertical surface is subjected to uniform constant suction perpendicular to it and the temperature at this surface fluctuates in time about a non-zero constant mean. Analytical expressions for the velocity, temperature and concentration fields are obtained using the perturbation technique. The effects of R (rotation parameter, k0 (permeability parameter, M (Hartmann number and w (frequency parameter on the flow characteristics are discussed. It is observed that the primary velocity component decreases with the increase in either of the rotation parameter R, the permeability parameter k0, or the Hartmann number M. It is also noted that the primary skin friction increases whenever there is an increase in the Grashof number Gr or the modified Grashof number Gm. It is clear that the heat transfer coefficient in terms of the Nusselt number decreases in the case of both air and water when there is an increase in the Hartmann number M. It is observed that the magnitude of the secondary velocity profiles increases whenever there is an increase in either of the Grashof number or the modified Grashof number for mass transfer or the permeability of the porous media. Concentration profiles decreases with an increase in the Schmidt number.

  4. Effect of chemical heterogeneity of biodegradable polymers on surface energy: A static contact angle analysis of polyester model films.

    Science.gov (United States)

    Belibel, R; Avramoglou, T; Garcia, A; Barbaud, C; Mora, L

    2016-02-01

    Biodegradable and bioassimilable poly((R,S)-3,3 dimethylmalic acid) (PDMMLA) derivatives were synthesized and characterized in order to develop a new coating for coronary endoprosthesis enabling the reduction of restenosis. The PDMMLA was chemically modified to form different custom groups in its side chain. Three side groups were chosen: the hexyl group for its hydrophobic nature, the carboxylic acid and alcohol groups for their acid and neutral hydrophilic character, respectively. The sessile drop method was applied to characterize the wettability of biodegradable polymer film coatings. Surface energy and components were calculated. The van Oss approach helped reach not only the dispersive and polar acid-base components of surface energy but also acid and basic components. Surface topography was quantified by atomic force microscopy (AFM) and subnanometer average values of roughness (Ra) were obtained for all the analyzed surfaces. Thus, roughness was considered to have a negligible effect on wettability measurements. In contrast, heterogeneous surfaces had to be corrected by the Cassie-Baxter equation for copolymers (10/90, 20/80 and 30/70). The impact of this correction was quantified for all the wettability parameters. Very high relative corrections (%) were found, reaching 100% for energies and 30% for contact angles.

  5. New modeling paradigms for the sorption of hydrophobic organic chemicals to heterogeneous carbonaceous matter in soils, sediments, and rocks

    Science.gov (United States)

    Allen-King, Richelle M.; Grathwohl, Peter; Ball, William P.

    Heterogeneity in naturally occurring carbonaceous materials (CMs) causes sorbed hydrophobic organic compound (HOC) concentrations in soils, sediments, and rocks to occur as a combination of surface adsorption and phase partitioning, with the latter typically more linearly dependent on aqueous concentration. In this manuscript, we describe a model to simulate HOC sorption as the combined effect of adsorption to thermally altered CM and a more linear solvation-driven absorption into gel-like CM (organic matter). We describe different forms of thermally altered CM (such as soots, chars, coals, and kerogen), the manner in which these materials can serve as especially strong adsorbents, and the conditions under which they can control solid-aqueous distribution. Specific examples of model fits to soil, sediment and rock samples with identified thermally altered CM components provide a linkage between sorption components and sorbent material properties. Because both the adsorption and partition components are scalable by compound solubility, it may often be possible to estimate nonlinear isotherms for a wide range of chemicals based on comparatively few experimental measurements. Thermally altered CM is widespread in the environment and can serve as an important sorbent even when present in small quantities (especially at low concentrations of adsorbates). In this context, the sorption modeling refinements described in this work are expected to have wide applicability. Given that solid/water distribution is a central process affecting contaminant fate, such refined models are an essential element for better estimates of risk and improved remediation design.

  6. Cobalt (hydr)oxide/graphite oxide composites: importance of surface chemical heterogeneity for reactive adsorption of hydrogen sulfide.

    Science.gov (United States)

    Mabayoje, Oluwaniyi; Seredych, Mykola; Bandosz, Teresa J

    2012-07-15

    Composites of cobalt (hydr)oxide and graphite oxide (GO) were obtained and evaluated as adsorbents of hydrogen sulfide at ambient conditions. The surface properties of the initial and exhausted samples were studied by FTIR, TEM, SEM/EDX, XRD, adsorption of nitrogen, potentiometric titration, and thermal analysis. The results obtained show a significant improvement in their adsorption capacities compared to parent compounds. The importance of the OH groups of cobalt (hydr)oxide/GO composites and new interface chemistry for the adsorption of hydrogen sulfide on these materials is revealed. The oxygen activation by the carbonaceous component resulted in formation of sulfites. Water enhanced the removal process. This is the result of the basic environment promoting dissociation of H(2)S and acid-base reactions. Finally, the differences in the performance of the materials with different mass ratios of GO were linked to the availability of active sites on the surface of the adsorbents, dispersion of these sites, their chemical heterogeneity, and location in the pore system.

  7. Effect of thermophoresis particle deposition and chemical reaction on unsteady MHD mixed convective flow over a porous wedge in the presence of temperature-dependent viscosity

    Energy Technology Data Exchange (ETDEWEB)

    Muhaimin, I.; Kandasamy, R., E-mail: future990@gmail.com; Khamis, Azme B.; Roslan, Rozaini

    2013-08-15

    Highlights: • Thermophoresis particle deposition in the presence of chemical reaction has a substantial effect on unsteady flow. • Thermophoresis is expected to alter the concentration boundary layer significantly. • Similarity transformation is used for unsteady flow field. • Destructive reaction plays a dominant role on concentration field. -- Abstract: An analysis is presented to investigate the effect of thermophoresis particle deposition and temperature dependent viscosity on unsteady MHD mixed convective heat and mass transfer of a viscous, incompressible and electrically conducting fluid past a porous wedge in the presence of chemical reaction. The wall of the wedge is embedded in a uniform non-Darcian porous medium in order to allow for possible fluid wall suction or injection. The results are compared with those known from the literature and excellent agreement between the results is obtained. The governing partial differential equations of the problem, subjected to their boundary conditions, are solved numerically by applying an efficient solution scheme for local nonsimilarity boundary layer analysis. Numerical calculations are carried out for different values of dimensionless parameter in the problem and an analysis of the results obtained show that the flow field is influenced appreciably by the applied magnetic field and thermophoresis particle deposition.

  8. Analytical and Numerical Study for MHD Radiating Flow over an Infinite Vertical Surface Bounded by a Porous Medium in Presence of Chemical Reaction

    Directory of Open Access Journals (Sweden)

    Sahin Ahmed

    2013-01-01

    Full Text Available The study of non-linear MHD flow with heat and mass transfer characteristics of an incompressible, viscous, electrically conducting and Newtonian fluid over a vertical oscillating porous plate embedded in a porous medium in presence of homogeneous chemical reaction of first order and thermal radiation effects have been analyzed. The fluid considered here is a gray, absorbing/emitting radiation, but a non-scattering medium. At timet>0, the plate temperature and concentration levels near the plate raised linearly with timet. The dimensionless governing coupled, non-linear boundary layer partial differential equations are solved by an efficient, accurate, and extensively validated and unconditionally stable finite difference scheme of the Crank-Nicolson type as well as by the Laplace Transform technique. An increase in porosity parameter (K is found to depress the fluid velocities and shear stress in the regime. Also it has been found that, when the conduction-radiation (R increased, the fluid velocities as well as temperature profiles were decreased. It has been found that, when the chemical reaction parameter(C_r increased, the fluid velocities as well as concentration profiles were decreased. Applications of the study arise in materials processing and solar energy collector systems.

  9. The 3-dimentional Distribution through Physical-Chemical-Mineralogical Characteristics of Subsurface Heterogeneity in Tailings of Guryoung Mine, Korea

    Science.gov (United States)

    Moon, Y.; Park, E.; Song, Y.; Moon, H.

    2005-12-01

    To build an efficient way of handling potential risk associated with a closed mining site with abandoned waste rock and finely crushed mill tailing, detailed characterization on the site is crucial. Among the items to be characterized, mineral characteristics, particle distribution and surface/groundwater flow relationship, shape existence of heavy metal and discriminating the sulfide mineral oxidation and second minerals formation due to the rain or surface water environment may reveal very important aspects of the contaminated site such as kinds and level of contamination, contaminant generation in the event of precipitations, contaminant reaction/transport in the vadose zone, etc. Guryoung mine site in Korea, which is consistent with the purpose of this research, was selected as a research area. In order to illustrate and describe a geological heterogeneity, three-dimensional Coupled Markov chain (CMC) was used. The sampling site was constructed as elemental data using GPS. The sample's analytic data of physical-chemical-mineralogical aspects and cation exchange capacity were built as the database. The result is following: In oxidation zone (0.43 to 1.00 m), the particle contained more than 10 percent of clayey due to the weathering, and the pH was below 3 by oxidation of pyrite. The presence of jarosite, gypsum and goethite was confirmed. The cation exchange capacity was analyzed greater than 10 meq per 100 mg. In transition zone, sandy contained greater percentage, and its pH was 3 to 5. Metals and heavy metals extracted using 0.1 N HCl had the highest concentration, and pyrite took the greatest percentage. In primary zone, sandy contained the greatest percentage at the top but silt took over as going down. The pH was neutral, 5 to 8. Also calcite was identified as second mineral due to the reduction of primary zone. These results were built as database, and applying CMC, the three-dimensional distribution of tailing was confirmed.

  10. COF-Net on CNT-Net as a Molecularly Designed, Hierarchical Porous Chemical Trap for Polysulfides in Lithium-Sulfur Batteries.

    Science.gov (United States)

    Yoo, JongTae; Cho, Sung-Ju; Jung, Gwan Yeong; Kim, Su Hwan; Choi, Keun-Ho; Kim, Jeong-Hoon; Lee, Chang Kee; Kwak, Sang Kyu; Lee, Sang-Young

    2016-05-11

    The hierarchical porous structure has garnered considerable attention as a multiscale engineering strategy to bring unforeseen synergistic effects in a vast variety of functional materials. Here, we demonstrate a "microporous covalent organic framework (COF) net on mesoporous carbon nanotube (CNT) net" hybrid architecture as a new class of molecularly designed, hierarchical porous chemical trap for lithium polysulfides (Li2Sx) in Li-S batteries. As a proof of concept for the hybrid architecture, self-standing COF-net on CNT-net interlayers (called "NN interlayers") are fabricated through CNT-templated in situ COF synthesis and then inserted between sulfur cathodes and separators. Two COFs with different micropore sizes (COF-1 (0.7 nm) and COF-5 (2.7 nm)) are chosen as model systems. The effects of the pore size and (boron-mediated) chemical affinity of microporous COF nets on Li2Sx adsorption phenomena are theoretically investigated through density functional theory calculations. Benefiting from the chemical/structural uniqueness, the NN interlayers effectively capture Li2Sx without impairing their ion/electron conduction. Notably, the COF-1 NN interlayer, driven by the well-designed microporous structure, allows for the selective deposition/dissolution (i.e., facile solid-liquid conversion) of electrically inert Li2S. As a consequence, the COF-1 NN interlayer provides a significant improvement in the electrochemical performance of Li-S cells (capacity retention after 300 cycles (at charge/discharge rate = 2.0 C/2.0 C) = 84% versus 15% for a control cell with no interlayer) that lies far beyond those accessible with conventional Li-S technologies.

  11. OpenGeoSys: an open-source initiative for numerical simulation of thermo-hydro-mechanical/chemical (THM/C) processes in porous media

    Science.gov (United States)

    Kolditz, O.

    2013-12-01

    In this paper we describe the OpenGeoSys (OGS) project, which is a scientific open-source initiative for numerical simulation of thermo-hydro-mechanical/chemical processes in porous media. The basic concept is to provide a flexible numerical framework (using primarily the Finite Element Method (FEM)) for solving multifield problems in porous and fractured media for applications in geoscience and hydrology. To this purpose OGS is based on an object-oriented FEM concept including a broad spectrum of interfaces for pre- and postprocessing. The OGS idea has been in development since the mid-eighties; meanwhile we are working on its 6th version. We provide a short historical note about the continuous process of concept and software development having evolved through Fortran, C, and C++ implementations. The idea behind OGS is to provide an open platform to the community, outfitted with professional software-engineering tools such as platform-independent compiling and automated benchmarking. A comprehensive benchmarking book has been prepared for publication. Benchmarking has been proven to be a valuable tool for cooperation between different developer teams, for example, for code comparison and validation purposes (DEVOVALEX, CO2BENCH and SSBENCH projects). On one hand, object-orientation (OO) provides a suitable framework for distributed code development; however, the parallelization of OO codes still lacks efficiency. High-performance-computing efficiency of OO codes is subject to future research (accompanying poster).

  12. On the propagation of a quasi-static disturbance in a heterogeneous, deformable, and porous medium with pressure-dependent properties

    Energy Technology Data Exchange (ETDEWEB)

    Vasco, D.W.

    2011-10-01

    Using an asymptotic technique, valid when the medium properties are smoothly-varying, I derive a semi-analytic expression for the propagation velocity of a quasi-static disturbance traveling within a nonlinear-elastic porous medium. The phase, a function related to the propagation time, depends upon the properties of the medium, including the pressure-sensitivities of the medium parameters, and on pressure and displacement amplitude changes. Thus, the propagation velocity of a disturbance depends upon its amplitude, as might be expected for a nonlinear process. As a check, the expression for the phase function is evaluated for a poroelastic medium, when the material properties do not depend upon the fluid pressure. In that case, the travel time estimates agree with conventional analytic estimates, and with values calculated using a numerical simulator. For a medium with pressure-dependent permeability I find general agreement between the semi-analytic estimates and estimates from a numerical simulation. In this case the pressure amplitude changes are obtained from the numerical simulator.

  13. Heat and Mass Transfer by Unsteady Natural Convection over a Moving Vertical Plate Embedded in a Saturated Porous Medium with Chemical Reaction, Soret and Dufour Effects

    Directory of Open Access Journals (Sweden)

    A.M. Rashad

    2015-01-01

    Full Text Available The thermal-diffusion and diffusion-thermo effects on heat and mass transfer by transient free convection flow of over an impulsively started isothermal vertical plate embedded in a saturated porous medium were numerically investigated, considering a homogeneous chemical reaction of first order. The transient, nonlinear and coupled governing equations are solved using an implicit finite-difference scheme. The effects of various parameters on the transient velocity, temperature, and concentration profiles as well as heat and mass transfer rates are analyzed. Numerical results for the unsteady-state velocity, temperature and concentration profiles as well as the axial distributions and the time histories of the skin-friction coefficient, Nusselt number and the Sherwood number are presented graphically and discussed.

  14. Voltammetry at porous electrodes: A theoretical study

    CERN Document Server

    Barnes, Edward O; Li, Peilin; Compton, Richard G

    2014-01-01

    Theory is presented to simulate both chronoamperometry and cyclic voltammetry at porous electrodes fabricated by means of electro-deposition around spherical templates. A theoretical method to extract heterogeneous rate constants for quasireversible and irreversible systems is proposed by the approximation of decoupling of the diffusion within the porous electrode and of bulk diffusion to the electrode surface.

  15. Complexity of Soils Porous Structure: A Simple Question

    Science.gov (United States)

    Benito, R. M.; Cardenas, J. P.; Santiago, A.; Borondo, F.; Losada, J. C.; Tarquis, A. M.; Grupo de Sistemas Complejos

    2011-12-01

    In the last decades scientist have realized that soil processes are implicated the biggest global challenges facing humanity such as soil aeration, sequestration or emission of greenhouse gasses, volatilization of volatile organic chemicals among other phenomena. Progress in these challenges will depend on being able to understand the integrated behavior of soil as a system, and dealing with the complexity in describing soil in these terms. In this work we focus in one of the critical soil issues: soil structure and pore connectivity. A quantitative and explicit characterization of soil structure is difficult because of the complexity of the pore space. We proposed a model to attempt to capture the complexity of the system in which we interpret porous soils as heterogeneous networks, where pores are represented by nodes and the links representing flows between them. Pore properties such as position and size are described by fixed states in a metric space, while an affinity function is introduced to bias the attachment probabilities of links according to these properties taking in account soil texture. These types of models are named as Heterogeneous Preferential Attachment (HPA). We perform an analytical study of the degree distributions in the soil model and show that under reasonable conditions all the model variants yield a multiscaling behavior in the connectivity degrees, leaving an empirically testable signature of heterogeneity in the topology of pore networks. With the aim to study in more detail topological properties of these networks, for different real soils samples an analysis of the community structure have been applied and studied depending on the values of the parameters of the porous soil model used. The detection of communities of pores, as groups densely connected with only sparser connections between groups, could contribute to understand the mechanisms of the diffusion phenomena in soils. References Cardenas, J. P. Cardenas, A. M. Tarquis, J. C

  16. Adsorption and capillary condensation in porous media as a function of the chemical potential of water in carbon dioxide

    Science.gov (United States)

    Heath, Jason E.; Bryan, Charles R.; Matteo, Edward N.; Dewers, Thomas A.; Wang, Yifeng; Sallaberry, Cédric J.

    2014-03-01

    The chemical potential of water may play an important role in adsorption and capillary condensation of water under multiphase conditions at geologic CO2 storage sites. Injection of large volumes of anhydrous CO2 will result in changing values of the chemical potential of water in the supercritical CO2 phase. We hypothesize that the chemical potential will at first reflect the low concentration of dissolved water in the dry CO2. As formation water dissolves into and is transported by the CO2 phase, the chemical potential of water will increase. We present a pore-scale model of the CO2-water interface or menisci configuration based on the augmented Young-Laplace equation, which combines adsorption on flat surfaces and capillary condensation in wedge-shaped pores as a function of chemical potential of water. The results suggest that, at a given chemical potential for triangular and square pores, liquid water saturation will be less in the CO2-water system under potential CO2 sequestration conditions relative to the air-water vadose zone system. The difference derives from lower surface tension of the CO2-water system and thinner liquid water films, important at pore sizes capillary effects will likely be minimal in reservoir rocks, but still may be important in finer grained, clayey caprocks, where very small pores may retain water and draw water back into the system via adsorption and capillary condensation, if dry-out and then rewetting were to occur.

  17. Conductive porous vanadium nitride/graphene composite as chemical anchor of polysulfides for lithium-sulfur batteries

    Science.gov (United States)

    Sun, Zhenhua; Zhang, Jingqi; Yin, Lichang; Hu, Guangjian; Fang, Ruopian; Cheng, Hui-Ming; Li, Feng

    2017-01-01

    Although the rechargeable lithium–sulfur battery is an advanced energy storage system, its practical implementation has been impeded by many issues, in particular the shuttle effect causing rapid capacity fade and low Coulombic efficiency. Herein, we report a conductive porous vanadium nitride nanoribbon/graphene composite accommodating the catholyte as the cathode of a lithium–sulfur battery. The vanadium nitride/graphene composite provides strong anchoring for polysulfides and fast polysulfide conversion. The anchoring effect of vanadium nitride is confirmed by experimental and theoretical results. Owing to the high conductivity of vanadium nitride, the composite cathode exhibits lower polarization and faster redox reaction kinetics than a reduced graphene oxide cathode, showing good rate and cycling performances. The initial capacity reaches 1,471 mAh g−1 and the capacity after 100 cycles is 1,252 mAh g−1 at 0.2 C, a loss of only 15%, offering a potential for use in high energy lithium–sulfur batteries. PMID:28256504

  18. Conductive porous vanadium nitride/graphene composite as chemical anchor of polysulfides for lithium-sulfur batteries.

    Science.gov (United States)

    Sun, Zhenhua; Zhang, Jingqi; Yin, Lichang; Hu, Guangjian; Fang, Ruopian; Cheng, Hui-Ming; Li, Feng

    2017-03-03

    Although the rechargeable lithium-sulfur battery is an advanced energy storage system, its practical implementation has been impeded by many issues, in particular the shuttle effect causing rapid capacity fade and low Coulombic efficiency. Herein, we report a conductive porous vanadium nitride nanoribbon/graphene composite accommodating the catholyte as the cathode of a lithium-sulfur battery. The vanadium nitride/graphene composite provides strong anchoring for polysulfides and fast polysulfide conversion. The anchoring effect of vanadium nitride is confirmed by experimental and theoretical results. Owing to the high conductivity of vanadium nitride, the composite cathode exhibits lower polarization and faster redox reaction kinetics than a reduced graphene oxide cathode, showing good rate and cycling performances. The initial capacity reaches 1,471 mAh g(-1) and the capacity after 100 cycles is 1,252 mAh g(-1) at 0.2 C, a loss of only 15%, offering a potential for use in high energy lithium-sulfur batteries.

  19. Improvement of solar cells performances by surface passivation using porous silicon chemically treated with LiBr solution

    Energy Technology Data Exchange (ETDEWEB)

    Haddadi, Ikbel; Dimassi, Wissem; Bousbih, Rabaa; Hajji, Massoud; Kanzari, M. Ali; Ezzaouia, Hatem [Laboratoire de Photovoltaique, Centre de Recherche et des Technologies de l' Energie, Hammam Lif (Tunisia)

    2011-03-15

    Solar cells need efficient light absorption to achieve high efficiencies. In this paper, we present a study on the immersion effect of porous silicon (PS) in a Lithium Bromide (LiBr) aqueous solution, followed by thermal annealing at 100 C for 30 min under nitrogen atmosphere on solar cells performances. The surface morphology was studied by Atomic Force Microscopy (AFM). All samples were analyzed by Fourier transmission infrared spectroscopy (FTIR) before and after LiBr immersion. Good electrical properties were observed after thermal annealing at 100 C for 30 min under nitrogen atmosphere. The reflection spectra of PS, before and after LiBr treatment, performed in the 300-1200 nm wavelength range, showed an important decrease of the reflectivity by this new treatment. A significant increase of the photoluminescence (PL) intensity was obtained after LiBr treatment. An enhancement of the light beam induced current (LBIC) as well as the internal quantum efficiency (IQE) were shown after LiBr treatment. I-V characteristics, under AM1.5 illumination, were improved owing to the increase of the minority carrier diffusion length (L) and an excellent enhancement of the surface recombination velocity (V{sub s}) (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  20. Magma Generation and Transport in Subduction Zones: Numerical Simulations of Chemical, Thermal and Mechanical Coupling During Magma Ascent by Porous Flow

    Science.gov (United States)

    Arcay, D.; Gerya, T.; Tackley, P.

    2007-12-01

    Most subduction zones are characterized by significant magmatic activity responsible for building trench-parallel volcanic arcs above descending slabs. High magma production rates observed within the arcs result from infiltration of water-rich fluids released by slab dehydration. The released water triggers hydrous melting of hot mantle wedges located above the cold slabs. However, the process of magma transport from the melt generation region located above the hydrated slab surface at 100-300 km depth to the magma extraction zone at the volcanic arc surface, and its influence on mantle wedge deformation, are not well known. In particular, during basaltic liquid ascent through the mantle wedge, decreasing pressure and temperature changes are likely to induce significant compositional variations, especially in terms of dissolved water content. Relationships between melt transport and mantle wedge deformation are also not clearly understood. We present a numerical model of magma generation and transport in subduction zones, that simulates chemical, thermal, and mechanical interactions between fluids and solid rocks along the magma ascent pathway. Magma migration is modelled by a porous flow across a constant permeability matrix, while the solid downward current associated with subduction in the mantle wedge, is included. The heat advected by the percolating liquid phase as well as latent heat effect associated with melting will be included. Water exchanges between the molten rock and the solid matrix are computed as a function of pressure, temperature, and solubilities laws in melt. We will first present benchmark results to validate the porous flow modelling as well as the ernery equation resolution for a two- phase flow. The aqueous and magmatic fluid repartition within the mantle wedge will then be presented. Magma productivity rates, varying along the magma ascent path way, will be discussed as a function of magma viscosity.

  1. Investigating the chemical mechanisms of the functionalization and fragmentation of hydrocarbons in the heterogeneous oxidation by OH using a stochastic kinetics model

    Science.gov (United States)

    Wiegel, A. A.; Wilson, K. R.; Hinsberg, B.; Houle, F. A.

    2014-12-01

    While the heterogeneous oxidation of atmospheric organic aerosols influences their effects on climate, air quality, and visibility, a more detailed understanding of the chemical mechanisms in heterogeneous oxidation is crucial for improving models of their chemical evolution in the atmosphere. Previous experimental work in our lab has shown two general reaction pathways for organic aerosol upon oxidation: functionalization, which adds additional oxygen functional groups to the carbon skeleton, and fragmentation, which leads to C-C bond scission and lower molecular weight oxidized products. Furthermore, these pathways were also found to be dependent on molecular structure, with more branched or oxidized hydrocarbons undergoing more fragmentation than less branched or oxidized hydrocarbons. However, while the mechanisms of hydrocarbon oxidation have been studied extensively in the gas phase, to what extent the gas phase mechanisms of hydrocarbon oxidation can be reliably applied to heterogeneous or bulk oxidation in aerosol remains unclear. To investigate the role of the condensed phase and molecular structure in the mechanism of heterogeneous organic aerosol oxidation, stochastic kinetics models are developed and compared to measurements of the products in the oxidation of hydrocarbons. Within the aerosol bulk, condensed phase rate coefficients and product branching ratios for peroxy reactions lead to different product distributions than those expected from gas phase peroxy reactions due to the presence of the liquid radical cage at the reaction site. As a result, tertiary alcohols and ketones were found to be the predominate products in the oxidation of squalane as observed in experiments. As the aerosol becomes further oxidized, β-scission of alkoxy radicals with neighboring functional groups is the primary fragmentation pathway leading to lower volatility products. In conjunction with this fragmentation mechanism, elimination of CO2 from acyloxy radicals was

  2. Photocatalytic decomposition of selected estrogens and their estrogenic activity by UV-LED irradiated TiO2 immobilized on porous titanium sheets via thermal-chemical oxidation.

    Science.gov (United States)

    Arlos, Maricor J; Liang, Robert; Hatat-Fraile, Melisa M; Bragg, Leslie M; Zhou, Norman Y; Servos, Mark R; Andrews, Susan A

    2016-11-15

    The removal of endocrine disrupting compounds (EDCs) remains a big challenge in water treatment. Risks associated with these compounds are not clearly defined and it is important that the water industry has additional options to increase the resiliency of water treatment systems. Titanium dioxide (TiO2) has potential applications for the removal of EDCs from water. TiO2 has been immobilized on supports using a variety of synthesis methods to increase its feasibility for water treatment. In this study, we immobilized TiO2 through the thermal-chemical oxidation of porous titania sheets. The efficiency of the material to degrade target EDCs under UV-LED irradiation was examined under a wide range of pH conditions. A yeast-estrogen screen assay was used to complement chemical analysis in assessing removal efficiency. All compounds but 17β-estradiol were degraded and followed a pseudo first-order kinetics at all pH conditions tested, with pH 4 and pH 11 showing the most and the least efficient treatments respectively. In addition, the total estrogenic activity was substantially reduced even with the inefficient degradation of 17β-estradiol. Additional studies will be required to optimize different treatment conditions, UV-LED configurations, and membrane fouling mitigation measures to make this technology a more viable option for water treatment.

  3. Study the effect of chemical reaction and variable viscosity on free convection MHD radiating flow over an inclined plate bounded by porous medium

    Science.gov (United States)

    Ali, M.; Alim, M. A.; Nasrin, R.; Alam, M. S.

    2016-07-01

    An analysis is performed to study the free convection heat and mass transfer flow of an electrically conducting incompressible viscous fluid about a semi-infinite inclined porous plate under the action of radiation, chemical reaction in presence of magnetic field with variable viscosity. The dimensionless governing equations are steady, two-dimensional coupled and non-linear ordinary differential equation. Nachtsgeim-Swigert shooting iteration technique along with Runge-Kutta integration scheme is used to solve the non-dimensional governing equations. The effects of magnetic parameter, viscosity parameter and chemical reaction parameter on velocity, temperature and concentration profiles are discussed numerically and shown graphically. Therefore, the results of velocity profile decreases for increasing values of magnetic parameter and viscosity parameter but there is no effect for reaction parameter. The temperature profile decreases in presence of magnetic parameter, viscosity parameter and Prandtl number but increases for radiation parameter. Also, concentration profile decreases for the increasing values of magnetic parameter, viscosity parameter and reaction parameter. All numerical calculations are done with respect to salt water and fixed angle of inclination of the plate.

  4. Chemical and Isotopic Heterogeneities in the Deep Earth:Importance of Lower Mantle Carbonate-rich Melts

    Science.gov (United States)

    Collerson, K. D.; Williams, Q.; Murphy, D.

    2007-12-01

    Evolution of mantle chemical heterogeneity reflects a spectrum of processes. Nature of reservoirs has been inferred from radiogenic isotope and trace element systematics of mid-ocean ridge basalts (MORB) and ocean island basalts (OIB) [1]. Carbonatites, kimberlites and lamproites [2-4] also sample depleted and enriched reservoirs, however, their origin remains equivocal. Secular decrease in Th/U ratio in MORB mantle (DMM), homogeneity of Th/U inferred from Pb-isotopic data, and systematic variation in Nb/Th and Nb/U ratios in MORBs [5], show that recycled components in DMM are well mixed. Thus isotopically hererogeneous domains in DMM must be transient features and are unlikely to yield HIMU and EM chemistries. Explanations for HIMU and EM OIB chemistries include involvement of: (1) subcontinental lithospheric mantle; (2) subducted oceanic lithosphere; (3) subducted sediment; or (4) an enigmatic lower mantle (LM) "plume component". Elevated 3He/4He in OIBs and kimberlites [6] and excess 129Xe and high 40Ar/39Ar [e.g., 7-8] and solar 20Ne/22Ne [9] in carbonatites indicate that they were derived from a primitive, isolated, and less degassed source than MORB. Primordial compositions show that this reservoir escaped atmospheric contamination by Ar, Xe, and Ne and pollution by 4He-rich material (from recycled 238U) during subduction. This primitive reservoir likely exists below the depth subducted slabs obviously penetrate (ca. 1700 km) e.g., [10]. That kimberlites are deeply sourced is also shown by lower mantle inclusions in diamond, e.g., [11]. Importantly, Gp. 1 and 2 kimberlites are isotopically similar to HIMU and EM-1 OIBs [4]. We interpret Gp 1 kimberlites as mixtures of HIMU and EM sources, while Gp. 2 kimberlites (close to EM-1) are interpreted as melts of a Ca perovskite-rich reservoir, possibly from slabs in the LM. We model melting of LM phases to simulate evolution of EM1 and HIMU 87Sr/86Sr, 143Nd/144Nd, 176Hf/177Hf, 207Pb/204Pb, 206Pb/204Pb and 208Pb/204

  5. A Bioinspired Multifunctional Heterogeneous Membrane with Ultrahigh Ionic Rectification and Highly Efficient Selective Ionic Gating.

    Science.gov (United States)

    Zhang, Zhen; Kong, Xiang-Yu; Xiao, Kai; Xie, Ganhua; Liu, Qian; Tian, Ye; Zhang, Huacheng; Ma, Jie; Wen, Liping; Jiang, Lei

    2016-01-06

    A bioinspired multifunctional heterogeneous membrane composed of a block copolymer (PS-b-P4VP) membrane and a porous anodic alumina membrane is fabricated. The ionic rectification is so strong that the maximum ratio is ≈489, and the chemical actuation of the anion or cation gate from the "OFF" to the "ON" state promotes a 98.5% increase in the channel conductance.

  6. Solute transport through porous media using asymptotic dispersivity

    Indian Academy of Sciences (India)

    P K Sharma; Teodrose Atnafu Abgaze

    2015-08-01

    In this paper, multiprocess non-equilibrium transport equation has been used, which accounts for both physical and chemical non-equilibrium for reactive transport through porous media. An asymptotic distance dependent dispersivity is used to embrace the concept of scale-dependent dispersion for solute transport in heterogeneous porous media. Semi-analytical solution has been derived of the governing equations with an asymptotic distance dependent dispersivity by using Laplace transform technique and the power series method. For application of analytical model, we simulated observed experimental breakthrough curves from 1500 cm long soil column experiments conducted in the laboratory. The simulation results of break-through curves were found to deviate from the observed breakthrough curves for both mobile–immobile and multiprocess non-equilibrium transport with constant dispersion models. However, multiprocess non-equilibrium with an asymptotic dispersion model gives better fit of experimental breakthrough curves through long soil column and hence it is more useful for describing anomalous solute transport through hetero-geneous porous media. The present model is simpler than the stochastic numerical method.

  7. Intraparticulate Metal Speciation Analysis of Soft Complexing Nanoparticles. The Intrinsic Chemical Heterogeneity of Metal-Humic Acid Complexes

    DEFF Research Database (Denmark)

    Town, R. M.; van Leeuwen, Herman P.

    2016-01-01

    ion condensation potential for higher valency counterions within the intraparticulate double layer zone of the soft NP. The approach offers new insights into the intrinsic heterogeneity of the HA. complexes, as revealed by the intraparticulate speciation as a function of the true degree of inner......The counterion condensation-Dorman (CCD) model for the electrostatic features of soft, charged nanopartides (NPs) is applied to the determination of the intrinsic stability constants, kit, for inner-sphere Cd(II) and Cu(II) complexes with humic acid NPs. The novel CCD model accounts for the strong......-sphere complexation, theta(M). The ensuing intrinsic heterogeneity parameters, Gamma, for CdHA and CuHA complexes are in very good agreement with those obtained from dynamic electrochemical stripping chronopotentiometric measurements. The overall intraparticulate metal ion speciation is found to depend on theta...

  8. Dilution and reactive mixing in three-dimensional helical flows in porous media

    Science.gov (United States)

    Chiogna, Gabriele; Ye, Yu; Grathwohl, Peter; Cirpka, Olaf A.; Rolle, Massimo

    2016-04-01

    Dilution under steady-state flow and transport conditions in porous media occurs primarily by lateral mass exchange at the fringe of solute plumes. This process controls the fate and transport of scalars in groundwater and in chemical reactors and it is fundamental for the understanding of many reactive processes. Three-dimensional flow fields can be characterized by a complex topological structure, which may greatly influence dilution and dilution enhancement of dissolved plumes, which is quantified by the exponential of the Shannon entropy [1]. In previous works, we identified the necessary conditions to obtain helical flow fields in non-stationary anisotropic heterogeneous porous media [2, 3]. To prove our theoretical findings, we perform steady-state bench-scale experiments with a conservative tracer and we provide a model-based investigation of the results [4]. The relevance of transverse mixing enhancement for the case of reactive solute transport is computed numerically using, as metrics of mixing, the length of a reactive plume undergoing an instantaneous complete bimolecular reaction and its critical dilution index. [1] Cirpka O.A., Chiogna G., Rolle M. and A. Bellin (2015). Transverse mixing in three-dimensional non-stationary anisotropic heterogeneous porous media. Water Resources Research, 51, DOI: 10.1002/2014WR015331. [2] Chiogna G., Cirpka O.A., Rolle M. and A. Bellin (2015). Helical flow streamlines in three-dimensional nonstationary anisotropic heterogeneous porous media. Water Resources Research, 51, DOI:10.1002/2014WR015330. [3] Chiogna G., Rolle M., Bellin A. and O.A. Cirpka (2014). Helicity and flow topology in three dimensional porous media. Advances in Water Resources, 73, 134-143, DOI: 10.1016/j.advwatres.2014.06.017. [4] Ye Y., Chiogna G., Cirpka O.A., Grathwohl P., and M. Rolle (2015). Experimental evidence of helical flow in porous media. Phys. Rev. Lett., 115, 194502, DOI: 10.1103/PhysRevLett.115.194502

  9. Impacts of physical and chemical aquifer heterogeneity on basin-scale solute transport: Vulnerability of deep groundwater to arsenic contamination in Bangladesh

    Science.gov (United States)

    Michael, Holly A.; Khan, Mahfuzur R.

    2016-12-01

    Aquifer heterogeneity presents a primary challenge in predicting the movement of solutes in groundwater systems. The problem is particularly difficult on very large scales, across which permeability, chemical properties, and pumping rates may vary by many orders of magnitude and data are often sparse. An example is the fluvio-deltaic aquifer system of Bangladesh, where naturally-occurring arsenic (As) exists over tens of thousands of square kilometers in shallow groundwater. Millions of people in As-affected regions rely on deep (≥150 m) groundwater as a safe source of drinking water. The sustainability of this resource has been evaluated with models using effective properties appropriate for a basin-scale contamination problem, but the extent to which preferential flow affects the timescale of downward migration of As-contaminated shallow groundwater is unknown. Here we embed detailed, heterogeneous representations of hydraulic conductivity (K), pumping rates, and sorptive properties (Kd) within a basin-scale numerical groundwater flow and solute transport model to evaluate their effects on vulnerability and deviations from simulations with homogeneous representations in two areas with different flow systems. Advective particle tracking shows that heterogeneity in K does not affect average travel times from shallow zones to 150 m depth, but the travel times of the fastest 10% of particles decreases by a factor of ∼2. Pumping distributions do not strongly affect travel times if irrigation remains shallow, but increases in the deep pumping rate substantially reduce travel times. Simulation of advective-dispersive transport with sorption shows that deep groundwater is protected from contamination over a sustainable timeframe (>1000 y) if the spatial distribution of Kd is uniform. However, if only low-K sediments sorb As, 30% of the aquifer is not protected. Results indicate that sustainable management strategies in the Bengal Basin should consider impacts of both

  10. Microwave enhanced alcoholysis of non-edible (algal, jatropha and pongamia) oils using chemically activated egg shell derived CaO as heterogeneous catalyst.

    Science.gov (United States)

    Joshi, Girdhar; Rawat, Devendra S; Sharma, Amit Kumar; Pandey, Jitendra K

    2016-11-01

    Microwave enhanced fast and efficient alcoholysis (methanolysis and ethanolysis) of non-edible oils (algal, jatropha and pongamia) is achieved using chemically activated waste egg shell derived CaO (i.e. CaO(cesp)) as heterogeneous catalyst. CaO(cesp) was extracted from waste chicken egg shell and further activated chemically by supporting transition metal oxide. The maximum conversion was achieved using 3wt% catalysts under 700W microwave irradiation and 10:1 alcohol/oil ratio in 6min. Alcoholysis using ZnO activated CaO(cesp) catalyst has shown higher reaction yields in comparison to other modified catalysts. Methanolysis has shown better biodiesel conversion in comparison to ethanolysis. The catalyst has shown longer lifetime and sustained activity after being used for four cycles. Due to more saturated fatty acid content; algal biodiesel has shown improved fuel properties in comparison to other biodiesels.

  11. Convection in Porous Media

    CERN Document Server

    Nield, Donald A

    2013-01-01

    Convection in Porous Media, 4th Edition, provides a user-friendly introduction to the subject, covering a wide range of topics, such as fibrous insulation, geological strata, and catalytic reactors. The presentation is self-contained, requiring only routine mathematics and the basic elements of fluid mechanics and heat transfer. The book will be of use not only to researchers and practicing engineers as a review and reference, but also to graduate students and others entering the field. The new edition features approximately 1,750 new references and covers current research in nanofluids, cellular porous materials, strong heterogeneity, pulsating flow, and more. Recognized as the standard reference in the field Includes a comprehensive, 250-page reference list Cited over 2300 times to date in its various editions Serves as an introduction for those entering the field and as a comprehensive reference for experienced researchers Features new sections on nanofluids, carbon dioxide sequestration, and applications...

  12. Concurrent Increases and Decreases in Local Stability and Conformational Heterogeneity in Cu, Zn Superoxide Dismutase Variants Revealed by Temperature-Dependence of Amide Chemical Shifts.

    Science.gov (United States)

    Doyle, Colleen M; Rumfeldt, Jessica A; Broom, Helen R; Sekhar, Ashok; Kay, Lewis E; Meiering, Elizabeth M

    2016-03-08

    The chemical shifts of backbone amide protons in proteins are sensitive reporters of local structural stability and conformational heterogeneity, which can be determined from their readily measured linear and nonlinear temperature-dependences, respectively. Here we report analyses of amide proton temperature-dependences for native dimeric Cu, Zn superoxide dismutase (holo pWT SOD1) and structurally diverse mutant SOD1s associated with amyotrophic lateral sclerosis (ALS). Holo pWT SOD1 loses structure with temperature first at its periphery and, while having extremely high global stability, nevertheless exhibits extensive conformational heterogeneity, with ∼1 in 5 residues showing evidence for population of low energy alternative states. The holo G93A and E100G ALS mutants have moderately decreased global stability, whereas V148I is slightly stabilized. Comparison of the holo mutants as well as the marginally stable immature monomeric unmetalated and disulfide-reduced (apo(2SH)) pWT with holo pWT shows that changes in the local structural stability of individual amides vary greatly, with average changes corresponding to differences in global protein stability measured by differential scanning calorimetry. Mutants also exhibit altered conformational heterogeneity compared to pWT. Strikingly, substantial increases as well as decreases in local stability and conformational heterogeneity occur, in particular upon maturation and for G93A. Thus, the temperature-dependence of amide shifts for SOD1 variants is a rich source of information on the location and extent of perturbation of structure upon covalent changes and ligand binding. The implications for potential mechanisms of toxic misfolding of SOD1 in disease and for general aspects of protein energetics, including entropy-enthalpy compensation, are discussed.

  13. Effect of electrical parameters on morphology, chemical composition, and photoactivity of the nano-porous titania layers synthesized by pulse-microarc oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Bayati, M.R., E-mail: bayati@iust.ac.i [School of Metallurgy and Materials Engineering, Iran University of Science and Technology, P.O. Box: 16845-161, Tehran (Iran, Islamic Republic of); Center of Excellence for Advanced Materials, Iran University of Science and Technology, P.O. Box: 16845-195, Tehran (Iran, Islamic Republic of); Moshfegh, A.Z. [Department of Physics, Sharif University of Technology, P.O. Box: 11155-9161, Tehran (Iran, Islamic Republic of); Institute for Nanoscience and Nanotechnology, Sharif University of Technology, P.O. Box 14588-89694, Tehran (Iran, Islamic Republic of); Golestani-Fard, F. [School of Metallurgy and Materials Engineering, Iran University of Science and Technology, P.O. Box: 16845-161, Tehran (Iran, Islamic Republic of); Center of Excellence for Advanced Materials, Iran University of Science and Technology, P.O. Box: 16845-195, Tehran (Iran, Islamic Republic of)

    2010-03-01

    TiO{sub 2} layers were grown via pulse type microarc oxidation process under different applied voltages, frequencies, and duty cycles. Surface chemical composition and phase structure of the synthesized layers were studied utilizing X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD). Furthermore, scanning electron microscope (SEM) and atomic force microscope (AFM) were employed to investigate surface morphology and topography of the layers. It was revealed that the layers had a porous structure with both anatase and rutile phases. The anatase relative content in the layers increased with the applied frequency; meanwhile, it decreased with duty cycle at low applied voltages, but increased with duty cycle at high applied voltages. The topographical evaluations showed that the surface of the layers is rough with an average roughness of about 1.8-9.9 nm. It was also found that the pore size decreased with the current frequency and increased with duty cycle at a fixed applied voltage. Photocatalytic performance of the layers was also examined by measuring the decomposition rate of methylene blue solution under ultraviolet irradiation of the surface. It was also found that about 94% of methylene blue solution was decomposed on the synthesized catalysts after 160 min UV irradiation of the surface.

  14. Soret and Dufour effects on mixed convection unsteady MHD boundary layer flow over stretching sheet in porous medium with chemically reactive species

    Institute of Scientific and Technical Information of China (English)

    A.NAYAK; S.PANDA; D.K.PHUKAN

    2014-01-01

    This paper studies the thermal-diffusion and diffusion thermo-effects in the hydro-magnetic unsteady flow by a mixed convection boundary layer past an imperme-able vertical stretching sheet in a porous medium in the presence of chemical reaction. The velocity of the stretching surface, the surface temperature, and the concentration are assumed to vary linearly with the distance along the surface. The governing partial differential equations are transformed into self-similar unsteady equations using similarity transformations and solved numerically by the Runge-Kutta fourth order scheme in as-sociation with the shooting method for the whole transient domain from the initial state to the final steady state flow. Numerical results for the velocity, the temperature, the concentration, the skin friction, and the Nusselt and Sherwood numbers are shown graph-ically for various flow parameters. The results reveal that there is a smooth transition of flow from unsteady state to the final steady state. A special case of our results is in good agreement with an earlier published work.

  15. Combined Influence of Thermal Diffusion and Diffusion Thermo on Unsteady MHD Free Convective Fluid Flow Past an Infinite Vertical Porous Plate in Presence of Chemical Reaction

    Science.gov (United States)

    Srinivasa Raju, Rallabandi

    2016-10-01

    The present investigation is concerned with the effects of thermal diffusion (Soret) and diffusion thermo (Dufour) on an unsteady MHD free convective flow with heat and mass transfer of an electrically conducting fluid in the presence of chemical reaction. A uniform magnetic field acts perpendicular to the porous surface, which absorbs the fluid with a suction velocity varying with time. The problem is governed by coupled non-linear partial differential equations with appropriate boundary conditions. A finite element numerical solution is developed to solve the resulting well-posed two-point boundary value problem. The present numerical results are compared with available data and are found in an excellent agreement. The expressions for velocity, temperature and concentration fields are obtained. With the aid of these, the expressions for the coefficient of skin-friction, the rate of heat transfer in the form of Nusselt number and the rate of mass transfer in the form of Sherwood number are derived. Finally the effects of various physical parameters of the flow quantities are studied with the help of graphs and tables.

  16. Optical Characteristics of Porous Glasses Matrix and Its Light-conducted Mechanism

    Institute of Scientific and Technical Information of China (English)

    GUO Li-ping; CHEN Yong-xi; LI Ying-xia; LEI Jia-heng; LIU Wei; XIONG Hong-chao

    2004-01-01

    The optical properties of matrix of porous glasses and phase-separated glasses were investigated by visible spectroscopy and infrared spectroscopy. The experimental results show that, both the porous glasses and phase-separated glasses have very good light transmission in visible light region that wavelenth is longer than 560nm. The micropores of porous glasses and the boron-rich phase of phase-separated glasses have strong Rayleigh scatter effects on the visible light, the largest scatter occurrs at 360-370nm; the thicker the glasses, the larger the light scattering. Thus, the pore size distribution and the size of heterogeneous micro zone in boron-rich phase of phase-separated glasses can be measured. After coupled into porours glasses, the most intense absorption of hydrated ions of [Co(H2O)6]2+ shifts from 508nm to 515nm. The production of the most intense absorption and the red shift were owed to Jahn-Teller effect of octahedral field formed by six H2O molecular and perturbation effect resulted by microporous of porous glasses for its physics-chemical circumstance. As a result, the porous glasses are perfect optical function materials in visible region, which can be assembled by chemical method.

  17. Atrazine degradation using chemical-free process of USUV: analysis of the micro-heterogeneous environments and the degradation mechanisms.

    Science.gov (United States)

    Xu, L J; Chu, W; Graham, Nigel

    2014-06-30

    The effectiveness of sonolysis (US), photolysis (UV), and sonophotolysis (USUV) for the degradation of atrazine (ATZ) was investigated. An untypical kinetics analysis was found useful to describe the combined process, which is compatible to pseudo first-order kinetics. The heterogeneous environments of two different ultrasounds (20 and 400 kHz) were evaluated. The heterogeneous distribution of ATZ in the ultrasonic solution was found critical in determining the reaction rates at different frequencies. The presence of NaCl would promote/inhibit the rates by the growth and decline of "salting out" effect and surface tension. The benefits of combining these two processes were for the first time investigated from the aspect of promoting the intermediates degradation which were resistant in individual processes. UV caused a rapid transformation of ATZ to 2-hydroxyatrazine (OIET), which was insensitive to UV irradiation; however, US and USUV were able to degrade OIET and other intermediates through •OH attack. On the other hand, UV irradiation also could promote radical generation via H2O2 decomposition, thereby resulting in less accumulation of more hydrophilic intermediates, which are difficult to degradation in the US process. Reaction pathways for ATZ degradation by all three processes are proposed. USUV achieved the greatest degree of ATZ mineralization with more than 60% TOC removed, contributed solely by the oxidation of side chains. Ammeline was found to be the only end-product in both US and USUV processes.

  18. Modeling multicomponent ionic transport in groundwater with IPhreeqc coupling: Electrostatic interactions and geochemical reactions in homogeneous and heterogeneous domains

    DEFF Research Database (Denmark)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2016-01-01

    The key role of small-scale processes like molecular diffusion and electrochemical migration has been increasingly recognized in multicomponent reactive transport in saturated porous media. In this study, we propose a two-dimensional multicomponent reactive transport model taking into account...... the electrostatic interactions during transport of charged ions in physically and chemically heterogeneous porous media. The modeling approach is based on the local charge balance and on the description of compound-specific and spatially variable diffusive/dispersive fluxes. The multicomponent ionic transport code...

  19. Heterogeneous Photocatalysis and Photoelectrocatalysis: From Unselective Abatement of Noxious Species to Selective Production of High-Value Chemicals.

    Science.gov (United States)

    Augugliaro, Vincenzo; Camera-Roda, Giovanni; Loddo, Vittorio; Palmisano, Giovanni; Palmisano, Leonardo; Soria, Javier; Yurdakal, Sedat

    2015-05-21

    Heterogeneous photocatalysis and photoelectrocatalysis have been considered as oxidation technologies to abate unselectively noxious species. This article focuses instead on the utilization of these methods for selective syntheses of organic molecules. Some promising reactions have been reported in the presence of various TiO2 samples and the important role played by the amorphous phase has been discussed. The low solubility of most of the organic compounds in water limits the utilization of photocatalysis. Dimethyl carbonate has been proposed as an alternative green organic solvent. The recovery of the products by coupling photocatalysis with pervaporation membrane technology seems to be a solution for future industrial applications. As far as photoelectrocatalysis is concerned, a decrease in recombination of the photogenerated pairs occurs, enhancing the rate of the oxidation reactions and the quantum yield. Another benefit is to avoid reaction(s) between the intermediates and the substrate, as anodic and cathodic reactions take place in different places.

  20. SURFACE CHEMKIN-III: A Fortran package for analyzing heterogeneous chemical kinetics at a solid-surface - gas-phase interface

    Energy Technology Data Exchange (ETDEWEB)

    Coltrin, M.E.; Kee, R.J.; Rupley, F.M.; Meeks, E.

    1996-05-01

    This document is the user`s manual for the SURFACE CHEMKIN-III package. Together with CHEMKIN-III, this software facilitates the formation, solution, and interpretation of problems involving elementary heterogeneous and gas-phase chemical kinetics in the presence of a solid surface. The package consists of two major software components: an Interpreter and a Surface Subroutine Library. The Interpreter is a program that reads a symbolic description of a user-specified chemical reaction mechanism. One output from the Interpreter is a data file that forms a link to the Surface Subroutine Library, which is a collection of about seventy modular Fortran subroutines that may be called from a user`s application code to return information on chemical production rates and thermodynamic properties. This version of SURFACE CHEMKIN-III includes many modifications to allow treatment of multi-fluid plasma systems, for example modeling the reactions of highly energetic ionic species with a surface. Optional rate expressions allow reaction rates to depend upon ion energy rather than a single thermodynamic temperature. In addition, subroutines treat temperature as an array, allowing an application code to define a different temperature for each species. This version of SURFACE CHEMKIN-III allows use of real (non-integer) stoichiometric coefficients; the reaction order with respect to species concentrations can also be specified independent of the reaction`s stoichiometric coefficients. Several different reaction mechanisms can be specified in the Interpreter input file through the new construct of multiple materials.

  1. Quantum chemical study on the catalytic mechanism of Na/K on NO-char heterogeneous reactions during the coal reburning process

    Institute of Scientific and Technical Information of China (English)

    Zheng-cheng WEN; Zhi-hua WANG; Jun-hu ZHOU; Ke-fa CEN

    2009-01-01

    Quantum chemical simulation was used to investigate the catalytic mechanism of Na/K on NO-char heterogeneous reactions during the coal reburning process. Both NO-char and NO-NaYK reactions were considered as three-step processes in this calculation. Based on geometry optimizations made using the UB3LYP/6-31 G(d) method, the activation energies of NO-char and NO-Na/K reactions were calculated using the QC1SD(T)/6-3 i 1G(d, p) method; Results showed that the activation energy of the NO-Na/K reaction (107.9/82.0 kJ/mol) was much lower than that of the NO-char reaction (245.1 kJ/mol). The reactions of NaO/KO and Na2P/K2O reduced by char were also studied, and their thermodynamics were calculated using the UB3LYP/6-31G(d) method; Results showed that both Na and K can be refreshed easily and rapidly by char at high temperature during the coal rebuming process. Based on the calculations and analyses, the catalytic mechanism of Na/K on NO-char het-erogeneous reactions during the coal reburning process was clarified.

  2. Physico-Chemical Heterogeneity of Organic-Rich Sediments in the Rifle Aquifer, CO: Impact on Uranium Biogeochemistry.

    Science.gov (United States)

    Janot, Noémie; Lezama Pacheco, Juan S; Pham, Don Q; O'Brien, Timothy M; Hausladen, Debra; Noël, Vincent; Lallier, Florent; Maher, Kate; Fendorf, Scott; Williams, Kenneth H; Long, Philip E; Bargar, John R

    2016-01-01

    The Rifle alluvial aquifer along the Colorado River in west central Colorado contains fine-grained, diffusion-limited sediment lenses that are substantially enriched in organic carbon and sulfides, as well as uranium, from previous milling operations. These naturally reduced zones (NRZs) coincide spatially with a persistent uranium groundwater plume. There is concern that uranium release from NRZs is contributing to plume persistence or will do so in the future. To better define the physical extent, heterogeneity and biogeochemistry of these NRZs, we investigated sediment cores from five neighboring wells. The main NRZ body exhibited uranium concentrations up to 100 mg/kg U as U(IV) and contains ca. 286 g of U in total. Uranium accumulated only in areas where organic carbon and reduced sulfur (as iron sulfides) were present, emphasizing the importance of sulfate-reducing conditions to uranium retention and the essential role of organic matter. NRZs further exhibited centimeter-scale variations in both redox status and particle size. Mackinawite, greigite, pyrite and sulfate coexist in the sediments, indicating that dynamic redox cycling occurs within NRZs and that their internal portions can be seasonally oxidized. We show that oxidative U(VI) release to the aquifer has the potential to sustain a groundwater contaminant plume for centuries. NRZs, known to exist in other uranium-contaminated aquifers, may be regionally important to uranium persistence.

  3. XANES and IR spectroscopy study of the electronic structure and chemical composition of porous silicon on n- and p-type substrates

    Energy Technology Data Exchange (ETDEWEB)

    Lenshin, A. S., E-mail: lenshinas@phys.vsu.ru; Kashkarov, V. M.; Seredin, P. V. [Voronezh State University (Russian Federation); Spivak, Yu. M.; Moshnikov, V. A. [LETI St. Petersburg State Electrotechnical University (Russian Federation)

    2011-09-15

    The differences in the electronic structure and composition of porous silicon samples obtained under identical conditions of electrochemical etching on the most commonly used n- and p-type substrates with different conductivities are demonstrated by X-ray absorption near-edge spectroscopy (XANES) and Fourier transform IR spectroscopy (FTIR) methods. It is shown that significantly higher oxidation and saturation with hydrogen is observed for the porous layer on n-type substrates.

  4. Response of porous SMA: a micromechanical study

    Directory of Open Access Journals (Sweden)

    V. Sepe

    2014-07-01

    Full Text Available Lately porous shape memory alloys (SMA have attracted great interest as low weight materials characterized by high energy dissipation capability. In the present contribution a micromechanical study of porous SMA is proposed, introducing the simplifying hypothesis of periodic distribution of voids. The mechanical response of the heterogeneous porous medium is derived by performing nonlinear finite element micromechanical analyses considering a typical repetitive unit cell made of a circular hole in a dense SMA matrix and prescribing suitable periodicity and continuity conditions. The constitutive behavior and the dissipation energy capability of the porous Nitinol are examined for several porosity levels. Numerical applications are performed in order to test the ability of the proposed procedure to well capture the overall behavior and the key features of the special heterogeneous material.

  5. Photonic Crystal Sensors Based on Porous Silicon

    OpenAIRE

    Claudia Pacholski

    2013-01-01

    Porous silicon has been established as an excellent sensing platform for the optical detection of hazardous chemicals and biomolecular interactions such as DNA hybridization, antigen/antibody binding, and enzymatic reactions. Its porous nature provides a high surface area within a small volume, which can be easily controlled by changing the pore sizes. As the porosity and consequently the refractive index of an etched porous silicon layer depends on the electrochemial etching conditions photo...

  6. Untangling the Chemical Evolution of Titan's Atmosphere and Surface -- From Homogeneous to Heterogeneous Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Kaiser, Ralf I.; Maksyutenko, Pavlo; Ennis, Courtney; Zhang, Fangtong; Gu, Xibin; Krishtal, Sergey P.; Mebel, Alexander M.; Kostko, Oleg; Ahmed, Musahid

    2010-03-16

    The arrival of the Cassini-Huygens probe at Saturn's moon Titan - the only Solar System body besides Earth and Venus with a solid surface and a thick atmosphere with a pressure of 1.4 atm at surface level - in 2004 opened up a new chapter in the history of Solar System exploration. The mission revealed Titan as a world with striking Earth-like landscapes involving hydrocarbon lakes and seas as well as sand dunes and lava-like features interspersed with craters and icy mountains of hitherto unknown chemical composition. The discovery of a dynamic atmosphere and active weather system illustrates further the similarities between Titan and Earth. The aerosol-based haze layers, which give Titan its orange-brownish color, are not only Titan's most prominent optically visible features, but also play a crucial role in determining Titan's thermal structure and chemistry. These smog-like haze layers are thought to be very similar to those that were present in Earth's atmosphere before life developed more than 3.8 billion years ago, absorbing the destructive ultraviolet radiation from the Sun, thus acting as 'prebiotic ozone' to preserve astrobiologically important molecules on Titan. Compared to Earth, Titan's low surface temperature of 94 K and the absence of liquid water preclude the evolution of biological chemistry as we know it. Exactly because of these low temperatures, Titan provides us with a unique prebiotic 'atmospheric laboratory' yielding vital clues - at the frozen stage - on the likely chemical composition of the atmosphere of the primitive Earth. However, the underlying chemical processes, which initiate the haze formation from simple molecules, have been not understood well to date.

  7. Fluid flow and heat transfer in rotating porous media

    CERN Document Server

    Vadasz, Peter

    2016-01-01

    This Book concentrates the available knowledge on rotating fluid flow and heat transfer in porous media in one single reference. Dr. Vadasz develops the fundamental theory of rotating flow and heat transfer in porous media and introduces systematic classification and identification of the relevant problems. An initial distinction between rotating flows in isothermal heterogeneous porous systems and natural convection in homogeneous non-­‐isothermal porous systems provides the two major classes of problems to be considered. A few examples of solutions to selected problems are presented, highlighting the significant impact of rotation on the flow in porous media.

  8. Porous substrates filled with nanomaterials

    Science.gov (United States)

    Worsley, Marcus A.; Baumann, Theodore F.; Satcher, Jr., Joe H.; Stadermann, Michael

    2014-08-19

    A composition comprising: at least one porous carbon monolith, such as a carbon aerogel, comprising internal pores, and at least one nanomaterial, such as carbon nanotubes, disposed uniformly throughout the internal pores. The nanomaterial can be disposed in the middle of the monolith. In addition, a method for making a monolithic solid with both high surface area and good bulk electrical conductivity is provided. A porous substrate having a thickness of 100 microns or more and comprising macropores throughout its thickness is prepared. At least one catalyst is deposited inside the porous substrate. Subsequently, chemical vapor deposition is used to uniformly deposit a nanomaterial in the macropores throughout the thickness of the porous substrate. Applications include electrical energy storage, such as batteries and capacitors, and hydrogen storage.

  9. The spatial distribution and chemical heterogeneity of clinoptilolite at Yucca Mountain, Nye County, Nevada: Evidence for polygenetic hypogene alteration

    Energy Technology Data Exchange (ETDEWEB)

    Livingston, D.E.; Szymanski, J.S.

    1994-01-01

    This part of TRAC`s Annual Report for 1993 summarizes the finding of previous reports on the major element geochemistry of zeolitic alteration of the tuffs at Yucca Mountain and updates the status of work. In this report we examine the spatial distribution of zeolites by stratigraphic units and boreholes and the various types of chemical alteration of clinoptilolite indicated by the data reported in Broxton et al. and Bish and Chipera. The purpose is to evaluate the extent of the metasomatic alteration and to test the hypogene hypothesis of Szymanski. In this regard, it is of prime importance to evaluate whether the metasomatic alteration at Yucca Mountain is due to supergene or hypogene processes. In this report, the term {open_quotes}supergene{close_quotes} denotes alteration and mineralization produced by fluids derived directly from atmospheric precipitation and infiltration through the vadose zone, and the term {open_quotes}hypogene{close_quotes} denotes alteration and mineralization produced by fluids from the phreatic zone regardless of their former location or residence time in the Earth`s crust. This report begins with a review of previous work on the genesis of zeolites of the Nevada Test Site.

  10. MRI of Heterogeneous Hydrogenation Reactions Using Parahydrogen Polarization

    Energy Technology Data Exchange (ETDEWEB)

    Burt, Scott Russell [Univ. of California, Berkeley, CA (United States)

    2008-01-01

    The power of magnetic resonance imaging (MRI) is its ability to image the internal structure of optically opaque samples and provide detailed maps of a variety of important parameters, such as density, diffusion, velocity and temperature. However, one of the fundamental limitations of this technique is its inherent low sensitivity. For example, the low signal to noise ratio (SNR) is particularly problematic for imaging gases in porous materials due to the low density of the gas and the large volume occluded by the porous material. This is unfortunate, as many industrially relevant chemical reactions take place at gas-surface interfaces in porous media, such as packed catalyst beds. Because of this severe SNR problem, many techniques have been developed to directly increase the signal strength. These techniques work by manipulating the nuclear spin populations to produce polarized} (i.e., non-equilibrium) states with resulting signal strengths that are orders of magnitude larger than those available at thermal equilibrium. This dissertation is concerned with an extension of a polarization technique based on the properties of parahydrogen. Specifically, I report on the novel use of heterogeneous catalysis to produce parahydrogen induced polarization and applications of this new technique to gas phase MRI and the characterization of micro-reactors. First, I provide an overview of nuclear magnetic resonance (NMR) and how parahydrogen is used to improve the SNR of the NMR signal. I then present experimental results demonstrating that it is possible to use heterogeneous catalysis to produce parahydrogen-induced polarization. These results are extended to imaging void spaces using a parahydrogen polarized gas. In the second half of this dissertation, I demonstrate the use of parahydrogen-polarized gas-phase MRI for characterizing catalytic microreactors. Specifically, I show how the improved SNR allows one to map parameters important for characterizing the heat and mass

  11. The emplacement history of a remarkable heterogeneous, chemically zoned, rheomorphic and locally lava-like ignimbrite: 'TL' on Gran Canaria

    Science.gov (United States)

    Sumner, Janet M.; Branney, Michael J.

    2002-06-01

    Ignimbrite 'TL' on Gran Canaria is a complex, compositionally zoned rheomorphic tuff, that locally exhibits features previously considered to be diagnostic of lavas. It is made up of two locally overlapping lobes of ignimbrite that were emplaced during a single eruptive episode. The eastern lobe is high-grade, with rheomorphic zones and localised patches that are lava-like. The western lobe is extremely high-grade, more extensively lava-like, and welded to its top surface. Both parts are zoned, with a basal comendite-rich zone grading up, through a mixed zone, into an upper trachyte-rich zone. Lithic contents, and the relative proportions of comendite and trachyte pyroclasts vary with height. Each comendite-rich zone is vitroclastic, whereas each trachyte-rich zone is partly lava-like with local gradations into vitroclastic ignimbrite. Mixed zones are intermediate in character, and locally show compositional banding. Gradational zoning in massive ignimbrite, best seen in lower strain zones, and welding fabrics that are pervasively lineated and oblique to bedding, suggest that deposition was sustained, agglutination was rapid, and rheomorphic deformation began during the sustained deposition. The viscosity and porosity of the agglutinate varied with height because successively deposited pyroclast populations varied in grainsize, composition and temperature. The hot agglutinate continued to compact and shear downslope after the density currents had dissipated, causing further rheomorphic folding, thrusting, attenuation and autobrecciation. The western lobe locally overlies the partly welded top of the eastern lobe, in part because it advanced rheomorphically across it for at least 300 m. Hot-state loading and auto-intrusion occurred due to unstable density layering in the chemically zoned agglutinate. Deformation behaviour changed during cooling and degassing, and because of heat transfer between juxtaposed agglutinates, and localised retention of dissolved volatiles

  12. Combined effects of chemical reaction and temperature dependent heat source on MHD mixed convective flow of a couple-stress fluid in a vertical wavy porous space with travelling thermal waves

    Directory of Open Access Journals (Sweden)

    Muthuraj R.

    2012-01-01

    Full Text Available A mathematical model is developed to examine the effect of chemical reaction on MHD mixed convective heat and mass transfer flow of a couple-stress fluid in vertical porous space in the presence of temperature dependent heat source with travelling thermal waves. The dimensionless governing equations are assumed to be made up of two parts: a mean part corresponding to the fully developed mean flow, and a small perturbed part, using amplitude as a small parameter. The analytical solution of perturbed part have been carried out by using the long-wave approximation. The expressions for the zeroth-order and the first order solutions are obtained and the results of the heat and mass transfer characteristics are presented graphically for various values of parameters entering into the problem. It is noted that velocity of the fluid increases with the increase of the couple stress parameter and increasing the chemical reaction parameter leads suppress the velocity of the fluid. Cross velocity decreases with an increase of the phase angle. The increase of the chemical reaction parameter and Schmidt number lead to decrease the fluid concentration. The hydrodynamic case for a non-porous space in the absence of the temperature dependent heat source for Newtonian fluid can be captured as a limiting case of our analysis by taking, and α1→0, Da→∞, a→∞.

  13. Mathematical Model of Porous Medium Dynamics

    Science.gov (United States)

    Gerschuk, Peotr; Sapozhnikov, Anatoly

    1999-06-01

    Semiempirical model describing porous material strains under pulse mechanical and thermal loadings is proposed. Porous medium is considered as continuous one but with special form of pressure dependence upon strain. This model takes into account principal features of porous materials behavior which can be observed when the material is strained in dynamic and static experiments ( non-reversibility of large strains, nonconvexity of loading curve). Elastoplastic properties of porous medium, its damages when it is strained and dynamic fracture are also taken into account. Dispersion of unidirectional motion caused by medium heterogeneity (porousness) is taken into acount by introducing the physical viscosity depending upon pores size. It is supposed that at every moment of time pores are in equilibrium with pressure i.e. kinetic of pores collapse is not taken into account. The model is presented by the system of differential equations connecting pressure and energy of porous medium with its strain. These equations close system of equations of motion and continuity which then is integrated numerically. The proposed model has been tested on carbon materials and porous copper . Results of calculation of these materials shock compressing are in satisfactory agreement with experimental data. Results of calculation of thin plate with porous copper layer collision are given as an illustration.

  14. Facile spray-coating process for the fabrication of tunable adhesive superhydrophobic surfaces with heterogeneous chemical compositions used for selective transportation of microdroplets with different volumes.

    Science.gov (United States)

    Li, Jian; Jing, Zhijiao; Zha, Fei; Yang, Yaoxia; Wang, Qingtao; Lei, Ziqiang

    2014-06-11

    In this paper, tunable adhesive superhydrophobic ZnO surfaces have been fabricated successfully by spraying ZnO nanoparticle (NP) suspensions onto desired substrates. We regulate the spray-coating process by changing the mass percentage of hydrophobic ZnO NPs (which were achieved by modifying hydrophilic ZnO NPs with stearic acid) in the hydrophobic/hydrophilic ZnO NP mixtures to control heterogeneous chemical composition of the ZnO surfaces. Thus, the water adhesion on the same superhydrophobic ZnO surface could be effectively tuned by controlling the surface chemical composition without altering the surface morphology. Compared with the conventional tunable adhesive superhydrophobic surfaces, on which there were only three different water sliding angle values: lower than 10°, 90° (the water droplet is firmly pinned on the surface at any tilted angles), and the value between the two ones, the water adhesion on the superhydrophobic ZnO surfaces has been tuned effectively, on which the sliding angle is controlled from 2 ± 1° to 9 ± 1°, 21 ± 2°, 39 ± 3°, and 90°. Accordingly, the adhesive force can be adjusted from extremely low (∼2.5 μN) to very high (∼111.6 μN). On the basis of the different adhesive forces of the tunable adhesive superhydrophobic surfaces, the selective transportation of microdroplets with different volumes was achieved, which has never been reported before. In addition, we demonstrated a proof of selective transportation of microdroplets with different volumes for application in the droplet-based microreactors via our tunable adhesive superhydrophobic surfaces for the quantitative detection of AgNO3 and NaOH. The results reported herein realize the selective transportation of microdroplets with different volumes and we believe that this method would potentially be used in many important applications, such as selective water droplet transportation, biomolecular quantitative detection and droplet-based biodetection.

  15. Laser synthesis, structure and chemical properties of colloidal nickel-molybdenum nanoparticles for the substitution of noble metals in heterogeneous catalysis.

    Science.gov (United States)

    Marzun, Galina; Levish, Alexander; Mackert, Viktor; Kallio, Tanja; Barcikowski, Stephan; Wagener, Philipp

    2017-03-01

    Platinum and iridium are rare and expensive noble metals that are used as catalysts for different sectors including in heterogeneous chemical automotive emission catalysis and electrochemical energy conversion. Nickel and its alloys are promising materials to substitute noble metals. Nickel based materials are cost-effective with good availability and show comparable catalytic performances. The nickel-molybdenum system is a very interesting alternative to platinum in water electrolysis. We produced ligand-free nickel-molybdenum nanoparticles by laser ablation in water and acetone. Our results show that segregated particles were formed in water due to the oxidation of the metals. X-ray diffraction shows a significant change in the lattice parameter due to a diffusion of molybdenum atoms into the nickel lattice with increasing activity in the electrochemical oxygen evolution reaction. Even though the solubility of molecular oxygen in acetone is higher than in water, there were no oxides and a more homogeneous metal distribution in the particles in acetone as seen by TEM-EDX. This showed that dissolved molecular oxygen does not control oxide formation. Overall, the laser ablation of pressed micro particulate mixtures in liquids offers a combinational synthesis approach that allows the screening of alloy nanoparticles for catalytic testing and can convert micro-mixtures into nano-alloys.

  16. Two-component spin-coated Ag/CNT composite films based on a silver heterogeneous nucleation mechanism adhesion-enhanced by mechanical interlocking and chemical grafting

    Science.gov (United States)

    Zhang, Yang; Kang, Zhixin; Bessho, Takeshi

    2017-03-01

    In this paper, a new method for the synthesis of silver carbon nanotube (Ag/CNT) composite films as conductive connection units for flexible electronic devices is presented. This method is about a two-component solution process by spin coating with an after-treatment annealing process. In this method, multi-walled carbon nanotubes (MWCNTs) act as the core of silver heterogeneous nucleation, which can be observed and analyzed by a field-emission scanning electron microscope. With the effects of mechanical interlocking, chemical grafting, and annealing, the interfacial adhesive strength between films and PET sheets was enhanced to 12 N cm‑1. The tensile strength of the Ag/CNT composite films was observed to increase by 38% by adding 5 g l‑1 MWCNTs. In the four-probe method, the resistivity of Ag/CNT-5 declined by 78.2% compared with pristine Ag films. The anti-fatigue performance of the Ag/CNT composite films was monitored by cyclic bending deformation and the results revealed that the growth rate of electrical resistance during the deformation was obviously retarded. As for industrial application, this method provides an efficient low-cost way to prepare Ag/CNT composite films and can be further applied to other coating systems.

  17. Porous bioactive materials

    Science.gov (United States)

    Zhang, Kai

    Bioactive materials chemically bond to tissues through the development of biologically active apatite. Porous structures in biomaterials are designed to enhance bioactivity, grow artificial tissues and achieve better integration with host tissues in the body. The goal of this research is to design, fabricate and characterize novel porous bioactive materials. 3D ordered macroporous bioactive glasses (3DOM-BGs, pore size: 200--1000 nm) were prepared using a sol-gel process and colloidal crystal templates. 3DOM-BGs are more bioactive and degradable than mesoporous (pore size simulated body fluid (SBF). Apatite formation and 3DOM-BG degradation rates increased with the decrease of soaking ratio. Apatite induction time in SBF increased with 3DOM-BG calcination temperature (600--800°C). Apatite formation and 3DOMBG degradation were slightly enhanced for a phosphate containing composition. Large 3DOM-BG particles formed less apatite and degraded less completely as compared with small particles. An increase in macropore size slowed down 3DOM-BG degradation and apatite formation processes. After heating the converted apatite at a temperature higher than 700°C, highly crystalline hydroxyapatite and a minor tri-calcium phosphate phase formed. 3DOM-BGs have potential applications as bone/periodontal fillers, and drugs and biological factors delivery agents. Anchoring artificial soft tissues (e.g., cartilage) to native bone presents a challenge. Porous polymer/bioactive glass composites are candidate materials for engineering artificial soft tissue/bone interfaces. Porous composites consisting of polymer matrices (e.g., polysulfone, polylactide, and polyurethane) and bioactive glass particles were prepared by polymer phase separation techniques adapted to include ceramic particles. Composites (thickness: 200--500 mum) have asymmetric structures with dense top layers and porous structures beneath. Porous structures consist of large pores (>100 mum) in a network of smaller (<10

  18. Porous Ascend

    DEFF Research Database (Denmark)

    Riiber, Jacob; Tamke, Martin; Ramsgaard Thomsen, Mette

    2012-01-01

    The Porous Ascend project investigates how algorithmic and generative approaches allows for the utilization of complex, and by other means inaccessible, ways of devising the schema by which we arrange the parts of an architectural object. It does so by pursuing to physically realize a structure...... of folded elements, based on the concept of applying recursion to the geometry of the non-periodic Penrose tiling. Within this process the project explores questions regarding the making of bespoke digital design tools, digital production, material behaviour and assemblage strategies. The project points...... with an outside and an efficient distribution of specific material behaviour....

  19. Multiphase, Multicomponent Fluid Flow in Homogeneous and Heterogeneous Porous Media Écoulement de fluides multiconstituants polyphasiques dans des milieux poreux homogènes et hétérogènes

    Directory of Open Access Journals (Sweden)

    Chella R.

    2006-12-01

    Full Text Available The flow of several components and several phases through a porous medium is generally described by introducing macroscopic mass-balance equations under the form of generalized dispersion equations. This model raises several questions that are discussed in this paper on the basis of results obtained from the volume averaging method, coupled with pore-scale simulations of the multiphase flow. The study is limited to a binary, two-phase system, and we assume that the momentum equations can be solved independently from the diffusion/advection equations. The assumption of local-equilibrium is discussed and several length-scale and time-scale constraints are provided. A key issue concerns the impact on the dispersion tensors of the pore-scale equilibrium condition at the interface between the different phases. Our results show that this phenomenon may lead to significant variations of the dispersion coefficients with respect to passive dispersion, i. e. , dispersion without interfacial mass fluxes. Macroscopic equations are then obtained in the general case, and several local closure problems are provided that allow one to calculate the dispersion tensors and others properties, from the pore-scale geometry, velocities, and fluid characteristics. Examples of solutions of these closure problems are given in the case of two-dimensional representative unit cells. The two-phase flow equations are solved in two different ways : a boundary element technique, or a modified lattice Boltzmann approach. Solutions of the closure problems associated with the dispersion equations are then given using a finite volume element formulation of the partial differential equations. The results show the influence of velocity and saturation on the effective parameters. They emphasize the importance of geometry on the behavior of the dispersion tensor. Extension of these results to a larger-scale including the effect of heterogeneities is proposed in a limited case

  20. Effect of Thermo-Diffusion and Chemical Reaction on Mixed Convective Heat And Mass Transfer Through A Porous Medium In Cylindrical Annulus With Heat Source.

    Directory of Open Access Journals (Sweden)

    Dr.K.Gnaneswar

    2014-09-01

    Full Text Available A finite element study of combined heat and mass transfer flow through a porous medium in a circular cylindrical annulus with Soret and Dufour effects in the presence of heat sources has been analyzed. The coupled velocity, energy, and diffusion equations are solved numerically by using Galerkin- finite element technique. Shear stress, Nusslet number and Sherwood number are evaluated numerically for different values of the governing parameters under consideration and are shown in tabular form.

  1. Effect of the heterogeneous porous media on the hydraulic efficiency of horizontal subsurface-flow wetlands%非均质多孔介质对水平潜流人工湿地水力效率的影响

    Institute of Scientific and Technical Information of China (English)

    李沁; 宋新山; 陆化杰; 严登华

    2012-01-01

    Series of simulated horizontal subsurface-flow constructed wetlands using different sized glass beads (4-9,8-12,11-17 mm) as wetland filter media were established to investigate the effect of heterogeneous porous media on the hydraulic efficiency of the wetland. Flow through the filter bed was visualized by injecting dyed fluid into the water-saturated model. The hydraulic parameters such as hydraulic retention time, effective volume fraction and hy draulic efficiency were detected using chloride tracer. The flow patterns were also analyzed. Results showed that the dyed fluid in different experiment apparatus presented different flow pattern. In the simulated constructed wetland filled with small grain size glass beads (4-9 mm) , the dyed fluid from top inlet to bottom outlet had the highest effec tive volume, means the constructed wetland had the highest space utilization ratio, effective volume ratio and dye flow distribution area, the dyed fluid was in arc shape around the corner, and the dead area was the smallest. When the di ameter of glass beads ranged 4-9 mm, the mean retention time of wetland and its distribution divergence was 0. 437 8 h and 0. 052 5, the effective volume ratio and hydraulic efficiency of wetland was 0. 495 7 and 0. 469 6 respectively. With increasing the diameter of glass beads, the mean retention time was shortened, the distribution divergence of mean retention time was increased and the effective volume ratio and hydraulic efficiency were decreased. Reasonable distribution of hydraulic retention time could increase the effective volume ratio of wetland, namely the wetland had larger effective volume for sewage migration, which was benefit for the sufficient connection of pollutants, substrate and microbes in substrate, so as to improve the removal efficient of pollutants.%对比以不同粒径(4~9、8~12、11~17 mm)非均质多孔介质(玻璃珠)作为基质的水平潜流人工湿地(以有机玻璃板材模拟)的水力效率

  2. Advective-diffusive/dispersive transport of chemically reacting species in hydrothermal systems. Final report, FY83-85

    Energy Technology Data Exchange (ETDEWEB)

    Lichtner, P.C.; Helgeson, H.C.

    1986-06-20

    A general formulation of multi-phase fluid flow coupled to chemical reactions was developed based on a continuum description of porous media. A preliminary version of the computer code MCCTM was constructed which implemented the general equations for a single phase fluid. The computer code MCCTM incorporates mass transport by advection-diffusion/dispersion in a one-dimensional porous medium coupled to reversible and irreversible, homogeneous and heterogeneous chemical reactions. These reactions include aqueous complexing, oxidation/reduction reactions, ion exchange, and hydrolysis reactions of stoichiometric minerals. The code MCCTM uses a fully implicit finite difference algorithm. The code was tested against analytical calculations. Applications of the code included investigation of the propagation of sharp chemical reaction fronts, metasomatic alteration of microcline at elevated temperatures and pressures, and ion-exchange in a porous column. Finally numerical calculations describing fluid flow in crystalline rock in the presence of a temperature gradient were compared with experimental results for quartzite.

  3. Porous glasses for optical sensors

    Science.gov (United States)

    Dorosz, Dominik; Procyk, Bernadeta

    2006-03-01

    Microporous glasses from the Na II0-B II0 3-Si0 II system can be obtained by appropriate thermal and chemical treatment. During the thermal treatment the separation of the borate phase from the silicon skeleton has been occurred. The borates are in the form small drops joined to each other. In the course of chemical treatment the borates become leached in water, water solutions of acids or basis and the glass becomes porous. Microporous glasses may find application in many branches of science and engineering. The applications depend on the internal arrangement, size and shape of pores. These parameters may be in a wide range modified by a change of the chemical composition. The received porous glass was used as an element in optical fibre NO II sensor. The specific coloration reaction between organic reagents and NO II in the pores was occurred. It is possible to detection of 10-50 ppm NO II level.

  4. Seismic Absorption and Modulus Measurements in Porous Rocks Under Fluid and Gas Flow-Physical and Chemical Effects: a Laboratory Study

    Energy Technology Data Exchange (ETDEWEB)

    Harmut Spetzler

    2005-11-28

    This paper describes the culmination of a research project in which we investigated the complex modulus change in partially fluid saturated porous rocks. The investigation started with simple flow experiments over ''clean'' and ''contaminated'' surfaces, progressed to moduli measurements on partially filled single cracks, to measurements in ''clean'' and ''contaminated'' porous rocks and finally to a feasibility study in the field. For the experiments with the simple geometries we were able to measure fundamental physical properties such as contact angles of the meniscus and time dependent forces required to get the meniscus moving and to keep it moving at various velocities. From the data thus gathered we were able to interpret the complex elastic moduli data we measured in the partially saturated single cracks. While the geometry in real rocks is too complex to make precise calculations we determined that we had indeed identified the mechanisms responsible for the changes in the moduli we had measured. Thus encouraged by the laboratory studies we embarked on a field experiment in the desert of Arizona. The field site allowed for controlled irrigation. Instrumentation for fluid sampling and water penetration were already in place. The porous loosely consolidated rocks at the site were not ideal for finding the effects of the attenuation mechanism we had identified in the lab, but for logistic and cost constraint reasons we chose to field test the idea at that site. Tiltmeters and seismometers were installed and operated nearly continuously for almost 3 years. The field was irrigated with water in the fall of 2003 and with water containing a biosurfactant in the fall of 2004. We have indications that the biosurfactant irrigation has had a notable effect on the tilt data.

  5. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  6. Chemical Synthesis, Characterisation, and Biocompatibility of Nanometre Scale Porous Anodic Aluminium Oxide Membranes for Use as a Cell Culture Substrate for the Vero Cell Line: A Preliminary Study

    Directory of Open Access Journals (Sweden)

    Gérrard Eddy Jai Poinern

    2014-01-01

    Full Text Available In this preliminary study we investigate for the first time the biomedical potential of using porous anodic aluminium oxide (AAO membranes as a cell substrate for culturing the Cercopithecus aethiops (African green monkey Kidney (Vero epithelial cell line. One advantage of using the inorganic AAO membrane is the presence of nanometre scale pore channels that allow the exchange of molecules and nutrients across the membrane. The size of the pore channels can be preselected by adjusting the controlling parameters of a temperature controlled two-step anodization process. The cellular interaction and response of the Vero cell line with an in-house synthesised AAO membrane, a commercially available membrane, and a glass control were assessed by investigating cell adhesion, morphology, and proliferation over a 72 h period. The number of viable cells proliferating over the respective membrane surfaces revealed that the locally produced in-house AAO membrane had cells numbers similar to the glass control. The study revealed evidence of focal adhesion sites over the surface of the nanoporous membranes and the penetration of cellular extensions into the pore structure as well. The outcome of the study has revealed that nanometre scale porous AAO membranes have the potential to become practical cell culture scaffold substrates with the capability to enhance adhesion and proliferation of Vero cells.

  7. Chemical synthesis, characterisation, and biocompatibility of nanometre scale porous anodic aluminium oxide membranes for use as a cell culture substrate for the vero cell line: a preliminary study.

    Science.gov (United States)

    Poinern, Gérrard Eddy Jai; Le, Xuan Thi; O'Dea, Mark; Becker, Thomas; Fawcett, Derek

    2014-01-01

    In this preliminary study we investigate for the first time the biomedical potential of using porous anodic aluminium oxide (AAO) membranes as a cell substrate for culturing the Cercopithecus aethiops (African green monkey) Kidney (Vero) epithelial cell line. One advantage of using the inorganic AAO membrane is the presence of nanometre scale pore channels that allow the exchange of molecules and nutrients across the membrane. The size of the pore channels can be preselected by adjusting the controlling parameters of a temperature controlled two-step anodization process. The cellular interaction and response of the Vero cell line with an in-house synthesised AAO membrane, a commercially available membrane, and a glass control were assessed by investigating cell adhesion, morphology, and proliferation over a 72 h period. The number of viable cells proliferating over the respective membrane surfaces revealed that the locally produced in-house AAO membrane had cells numbers similar to the glass control. The study revealed evidence of focal adhesion sites over the surface of the nanoporous membranes and the penetration of cellular extensions into the pore structure as well. The outcome of the study has revealed that nanometre scale porous AAO membranes have the potential to become practical cell culture scaffold substrates with the capability to enhance adhesion and proliferation of Vero cells.

  8. The fabrication of vertically aligned and periodically distributed carbon nanotube bundles and periodically porous carbon nanotube films through a combination of laser interference ablation and metal-catalyzed chemical vapor deposition.

    Science.gov (United States)

    Yuan, Dajun; Lin, Wei; Guo, Rui; Wong, C P; Das, Suman

    2012-06-01

    Scalable fabrication of carbon nanotube (CNT) bundles is essential to future advances in several applications. Here, we report on the development of a simple, two-step method for fabricating vertically aligned and periodically distributed CNT bundles and periodically porous CNT films at the sub-micron scale. The method involves laser interference ablation (LIA) of an iron film followed by CNT growth via iron-catalyzed chemical vapor deposition. CNT bundles with square widths ranging from 0.5 to 1.5 µm in width, and 50-200 µm in length, are grown atop the patterned catalyst over areas spanning 8 cm(2). The CNT bundles exhibit a high degree of control over square width, orientation, uniformity, and periodicity. This simple scalable method of producing well-placed and oriented CNT bundles demonstrates a high application potential for wafer-scale integration of CNT structures into various device applications, including IC interconnects, field emitters, sensors, batteries, and optoelectronics, etc.

  9. Porous Dielectrics in Microelectronic Wiring Applications

    Directory of Open Access Journals (Sweden)

    Vincent McGahay

    2010-01-01

    Full Text Available Porous insulators are utilized in the wiring structure of microelectronic devices as a means of reducing, through low dielectric permittivity, power consumption and signal delay in integrated circuits. They are typically based on low density modifications of amorphous SiO2 known as SiCOH or carbon-doped oxides, in which free volume is created through the removal of labile organic phases. Porous dielectrics pose a number of technological challenges related to chemical and mechanical stability, particularly in regard to semiconductor processing methods. This review discusses porous dielectric film preparation techniques, key issues encountered, and mitigation strategies.

  10. Preparation and characterization of porous crosslinked collagenous matrices containing bioavailable chondroitin sulphate

    NARCIS (Netherlands)

    Pieper, J.S.; Oosterhof, A.; Dijkstra, P.J.; Veerkamp, J.H.; Kuppevelt, van T.H.

    1999-01-01

    Porous collagen matrices with defined physical, chemical and biological characteristics are interesting materials for tissue engineering. Attachment of glycosaminoglycans (GAGs) may add to these characteristics and valorize collagen. In this study, porous type I collagen matrices were crosslinked us

  11. Influence of thermal radiation on mixed convection heat and mass transfer stagnation-point flow in nanofluids over stretching/shrinking sheet in a porous medium with chemical reaction

    Energy Technology Data Exchange (ETDEWEB)

    Pal, Dulal, E-mail: dulalp123@rediffmail.com [Department of Mathematics, Visva-Bharati University, Siksha-Bhavana, Santiniketan, West Bengal 731 235 (India); Mandal, Gopinath [Siksha-Satra, Visva-Bharati, Sriniketan, West Bengal 731 236 (India)

    2014-07-01

    Highlights: • Concentration increases with Schmidt number for stretching and shrinking sheets. • Copper–water nanofluid has higher skin-friction coefficient and mass transfer rate. • Sherwood number decreases for higher values of nanoparticle volume fraction. • Cu–water has lower heat transfer rate compared to Al{sub 2}O{sub 3}–water and TiO{sub 2}–water. • Skin-friction increases with porous parameter and nanoparticle volume fraction. - Abstract: We have investigated the mixed convection boundary layer flow of nanofluids on a stagnation-point flow over a permeable stretching/shrinking sheet subject to thermal radiation, heat source/sink, viscous dissipation and chemical reaction by using numerical method. Three types of nanofluids namely copper–water, alumina–water, titanium dioxide–water were considered in the present study. The governing boundary layer equations are transformed into a system of nonlinear ordinary differential equations by using similarity transformation which are then solved numerically using fifth-order Runge–Kutta–Fehlberg method with shooting technique. The effects of various physical parameters are analyzed and discussed in graphical and tabular form. The effects of some physical parameters such as mixed convection parameter, radiation parameter, Schimdt number, porous parameter, Eckert number, chemical reaction parameter are analyzed on velocity, temperature and concentration profiles as well as on skin-friction coefficient, local Nusselt number and Sherwood number. It is found that copper–water exhibits higher mass transfer rates compared to alumina–water and titanium dioxide–water nanofluids for stretching and shrinking sheets.

  12. Modeling multicomponent ionic transport in groundwater with IPhreeqc coupling: Electrostatic interactions and geochemical reactions in homogeneous and heterogeneous domains

    Science.gov (United States)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2016-12-01

    The key role of small-scale processes like molecular diffusion and electrochemical migration has been increasingly recognized in multicomponent reactive transport in saturated porous media. In this study, we propose a two-dimensional multicomponent reactive transport model taking into account the electrostatic interactions during transport of charged ions in physically and chemically heterogeneous porous media. The modeling approach is based on the local charge balance and on the description of compound-specific and spatially variable diffusive/dispersive fluxes. The multicomponent ionic transport code is coupled with the geochemical code PHREEQC-3 by utilizing the IPhreeqc module, thus enabling to perform the geochemical calculations included in the PHREEQC's reaction package. The multicomponent reactive transport code is benchmarked with different 1-D and 2-D transport problems. Successively, conservative and reactive transport examples are presented to demonstrate the capability of the proposed model to simulate transport of charged species in heterogeneous porous media with spatially variable physical and chemical properties. The results reveal that the Coulombic cross-coupling between dispersive fluxes can significantly influence conservative as well as reactive transport of charged species both at the laboratory and at the field scale.

  13. 明胶-白芨胶/丹参多孔材料的理化性质研究%Research on Physical and Chemical Properties of Gelatin-Bletilla/Salvia-Miltiorrhiza as Porous Material

    Institute of Scientific and Technical Information of China (English)

    胡戈亮; 李亚明; 萧闵; 彭锐

    2013-01-01

    目的 评价明胶-白芨胶/丹参多孔材料作为组织工程皮肤支架的理化性质.方法 以明胶和白芨胶为基质材料,复合丹参提取液制备多孔材料.参照ISO10993-1标准,观察材料性状、吸水性和体外降解性,并采用急性毒性试验、热原试验和溶血试验,评价材料的理化性质.结果 实验材料具有较好的韧性、吸水性及可降解性.材料浸提液注入小鼠腹腔未引起急性毒性反应,注入家兔耳缘静脉内未引起发热反应,材料浸提液溶血率为2.59%,符合规定.结论 明胶-白芨胶/丹参多孔材料具有良好的理化性质,具备成为组织工程皮肤支架的条件.%Objective To evaluate the physical and chemical properties of gelatin-bletilla/Salvia-miltiorrhiza as porous material,and provide experimental basis that the material could be a scaffold of tissue-engineering skin.Method Salvia-miltiorrhiza was combined into the membranes composed of gelatin and bletilla.They had been prepared to be a sponge-like porous material.Reference to standard of ISO10993-1,After the test of material properties,water absorption and degradation in vitro,material's was evaluated by acute toxicity test,pyrogen test,and hemolysis test.Result Experimental material had good toughness,hydrophilia and degradability,Acute toxicity and fever were not caused by leaching liquor of material after injecting into abdominal of mice; Hemolytic rate of leaching liquor was 2.59 % according with the estimated standard.Conclusion The gelatin-bletilla/Salvia-miltiorrhiza as porous material had qualifications to be a scaffold of tissue-engineering skin because of good physical and chemical properties.

  14. Unsteady MHD Mixed Convection Slip Flow of Casson Fluid over Nonlinearly Stretching Sheet Embedded in a Porous Medium with Chemical Reaction, Thermal Radiation, Heat Generation/Absorption and Convective Boundary Conditions.

    Science.gov (United States)

    Ullah, Imran; Bhattacharyya, Krishnendu; Shafie, Sharidan; Khan, Ilyas

    2016-01-01

    Numerical results are presented for the effect of first order chemical reaction and thermal radiation on mixed convection flow of Casson fluid in the presence of magnetic field. The flow is generated due to unsteady nonlinearly stretching sheet placed inside a porous medium. Convective conditions on wall temperature and wall concentration are also employed in the investigation. The governing partial differential equations are converted to ordinary differential equations using suitable transformations and then solved numerically via Keller-box method. It is noticed that fluid velocity rises with increase in radiation parameter in the case of assisting flow and is opposite in the case of opposing fluid while radiation parameter has no effect on fluid velocity in the forced convection. It is also seen that fluid velocity and concentration enhances in the case of generative chemical reaction whereas both profiles reduces in the case of destructive chemical reaction. Further, increase in local unsteadiness parameter reduces fluid velocity, temperature and concentration. Over all the effects of physical parameters on fluid velocity, temperature and concentration distribution as well as on the wall shear stress, heat and mass transfer rates are discussed in detail.

  15. Chemical/physical pressure tunable spin-transition temperature and hysteresis in a two-step spin crossover porous coordination framework.

    Science.gov (United States)

    Lin, Jian-Bin; Xue, Wei; Wang, Bao-Ying; Tao, Jun; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming

    2012-09-03

    A two-dimensional (2D) square-grid type porous coordination polymer [Fe(bdpt)(2)]·guest (1·g, Hbdpt = 3-(5-bromo-2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole) with isolated small cavities was designed and constructed as a spin-crossover (SCO) material based on octahedral Fe(II)N(6) units and an all-nitrogen ligand. Three guest-inclusion forms were successfully prepared for 1·g (1·EtOH for g = ethanol, 1·MeOH for g = methanol, 1 for g = Null), in which the guest molecules interact with the framework as hydrogen-bonding donors. Magnetic susceptibility measurements showed that 1·g exhibited two-step SCO behavior with different transition temperatures (1·EtOH hysteresis widths (1·EtOH > 1·MeOH > 1 ≈ 0). Such guest modulation of two-step spin crossover temperature and hysteresis without changing two-step state in a porous coordination framework is unprecedented. X-ray single-crystal structural analyses revealed that all two-step SCO processes were accompanied with interesting symmetry-breaking phase transitions from space group of P2(1)/n for all high-spin Fe(II), to P1 for ordered half high-spin and half low-spin Fe(II), and back to P2(1)/n for all low-spin Fe(II) again by lowering temperature. The different SCO behaviors of 1·g were elucidated by the steric mechanism and guest-host hydrogen-bonding interactions. The SCO behavior of 1·g can be also controlled by external physical pressure.

  16. Imparting amphiphobicity on single-crystalline porous materials

    Science.gov (United States)

    Sun, Qi; He, Hongming; Gao, Wen-Yang; Aguila, Briana; Wojtas, Lukasz; Dai, Zhifeng; Li, Jixue; Chen, Yu-Sheng; Xiao, Feng-Shou; Ma, Shengqian

    2016-10-01

    The sophisticated control of surface wettability for target-specific applications has attracted widespread interest for use in a plethora of applications. Despite the recent advances in modification of non-porous materials, surface wettability control of porous materials, particularly single crystalline, remains undeveloped. Here we contribute a general method to impart amphiphobicity on single-crystalline porous materials as demonstrated by chemically coating the exterior of metal-organic framework (MOF) crystals with an amphiphobic surface. As amphiphobic porous materials, the resultant MOF crystals exhibit both superhydrophobicity and oleophobicity in addition to retaining high crystallinity and intact porosity. The chemical shielding effect resulting from the amphiphobicity of the MOFs is illustrated by their performances in water/organic vapour adsorption, as well as long-term ultrastability under highly humidified CO2 environments and exceptional chemical stability in acid/base aqueous solutions. Our work thereby pioneers a perspective to protect crystalline porous materials under various chemical environments for numerous applications.

  17. Convection in porous media

    CERN Document Server

    Nield, Donald A

    1992-01-01

    This book provides a user-friendly introduction to the topic of convection in porous media The authors as- sume that the reader is familiar with the basic elements of fluid mechanics and heat transfer, but otherwise the book is self-contained The book will be useful both as a review (for reference) and as a tutorial work, suitable as a textbook in a graduate course or seminar The book brings into perspective the voluminous research that has been performed during the last two decades The field has recently exploded because of worldwide concern with issues such as energy self-sufficiency and pollution of the environment Areas of application include the insulation of buildings and equipment, energy storage and recovery, geothermal reservoirs, nuclear waste disposal, chemical reactor engineering, and the storage of heat-generating materials such as grain and coal Geophysical applications range from the flow of groundwater around hot intrusions to the stability of snow against avalanches

  18. Amine Functionalized Porous Network

    KAUST Repository

    Eddaoudi, Mohamed

    2015-05-28

    Amine groups can be introduced in porous materials by a direct (one pot) or post-synthetic modification (PSM) process on aldehyde groups, and the resulting porous materials have increased gas affinity.

  19. Heterogeneous Catalysts

    NARCIS (Netherlands)

    Dakka, J.; Sheldon, R.A.; Sanderson, W.A.

    1997-01-01

    Abstract of GB 2309655 (A) Heterogeneous catalysts comprising one or more metal compounds selected from the group consisting of tin, molybdenum, tungsten, zirconium and selenium compounds deposited on the surface of a silicalite are provided. Preferably Sn(IV) and/or Mo(VI) are employed. The cat

  20. Development Of Porous Glass Fiber Optic Sensors

    Science.gov (United States)

    Macedo, P. B.; Barkatt, Aa.; Feng, X.; Finger, S. M.; Hojaji, H.; Laberge, N.; Mohr, R.; Penafiel, M.; Saad, E.

    A method for producing rugged, continuous porous glass fiber optic sensors was developed. pH and temperature sensors based on this technology have been successfully produced. The sensor portion of the fiber is made porous by selective leaching of a specially formulated borosilicate glass fiber. This results in a strong, monolithic structure where the sensor portion of the fiber remains integrally attached to the rest of the fiber (which acts as a light pipe), essentially eliminating losses at the sensor-light pipe interface. Pore size in the sensor can be controllably varied by modifying heat treatment conditions, making these sensors suitable for chemical concentration measurements in liquids and gases. Appropriate dyes were chemically bonded by silanization to the large interior surface area of the porous sensors to produce the pH and temperature sensors. Cresol red and phenol red were used for pH and pinacyanol chloride was used for temperature sensing. The sensitivity of these devices can be controlled by varying the concentration of the chemically bonded dye and the length of the porous region. Optical absorbance measurements were made in the visible range. The tip of the sensors was coated with a thin, porous layer of gold to reflect the incident light, resulting in a double pass across the porous sensor. Experimental measurements were made over a pH range of 3 to 8 and a temperature range of 28-70 C. These porous glass fiber optic sensors were found to be rugged and reliable due to their monolithic structure and large interior surface area for attachment of active species. A broad range of sensors based on this technology could be developed by using different active species, such as enzymes and other biochemicals, which could be bonded to the interior surface of the porous glass sensor.

  1. Mesoscale poroelasticity of heterogeneous media

    Science.gov (United States)

    Monfared, Siavash; Laubie, Hadrien; Radjai, Farhang; Pellenq, Roland; Ulm, Franz-Josef

    Poroelastic behavior of heterogeneous media is revisited. Lattice Element Method (LEM) is used to model interaction between solid constituents due to a pressurized pore space. Exploring beyond mean-field based theories in continuum microporomechanics, local textural variations and its contribution to the global anisotropic poroelastic behavior of real multiphase porous media are captured. To this end, statistical distributions of mesoscale poroelastic coefficients from numerical simulations on X-ray microscopy scans of two different organic-rich shales with different microtextures are presented. The results are compared with predictions using mean-field based tools of continuum micromechanics. The textural dependency of strain localization and stress chain formation captured in this framework promises a powerful tool for modeling poroelastic response of complex porous composites and a path to incorporate local textural and elastic variations into a continuum description. Visiting Scientist, CNRS-MIT, MIT.

  2. Magnetic Resonance Microscopy of Scale Dependent Transport Phenomena and Bioactivity in Porous Media

    Science.gov (United States)

    Seymour, J. D.; Codd, S. L.; Romanenko, K. V.; Hornemann, J. A.; Brosten, T. R.

    2008-05-01

    Magnetic resonance microscopy (MRM) provides the ability to obtain data on the pore scale via imaging and the sample scale by bulk measurement, allowing for connection between microscale dynamics and macroscale transport phenomena. This has led to MRM techniques becoming a preeminent method for characterization of dynamics in porous media. A significant question in modeling transport in porous media is definition of the porous media structure as homogeneous (ordered) or heterogeneous (disordered)[1]. One means of defining the 'complexity' of a porous media is based on the dynamics of the system[2]. The ability of MRM to measure the time dependent statistics of the dynamics [3,4,5] provides quantification of the pre-asymptotic dynamics. The transition from preasymptotic to Gaussian transport consistent with models of homogeneous porous media is clearly visualized. Biological activity in porous media, such as microbial growth, typically manifests itself as biofilms or colonies of microbes that adhere to surfaces and are surrounded by a hydrogel of extracellular polymeric substance (EPS). The biofilm growth introduces complexity into the system structure in generation of physical pore blocking, trapping within the EPS gel, elastic interfaces due to the EPS and generation of channels in which faster flow occur. The hierarchy of length and time scales and multiple physical processes which are introduced by the biofilm growth impacts the porous media transport as reflected in the change in dynamics [6]. The transition can be modeled using statistical mechanical approaches based on continuous time random walk (CTRW) processes that generate fractional differential equations[7]. The bioactivity alters the structure of the porous media from homogeneous to heterogeneous resulting in the transition from a Gaussian to a non Gaussian subdiffusive dispersion process. References 1. M. Quintard and S. Whitaker, Transport in ordered and disordered porous media: Volume averaged

  3. Measuring Heterogeneous Reaction Rates with ATR-FTIR Spectroscopy to Evaluate Chemical Fates in an Atmospheric Environment: A Physical Chemistry and Environmental Chemistry Laboratory Experiment

    Science.gov (United States)

    Roberts, Jason E.; Zeng, Guang; Maron, Marta K.; Mach, Mindy; Dwebi, Iman; Liu, Yong

    2016-01-01

    This paper reports an undergraduate laboratory experiment to measure heterogeneous liquid/gas reaction kinetics (ozone-oleic acid and ozone-phenothrin) using a flow reactor coupled to an attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectrometer. The experiment is specially designed for an upper-level undergraduate Physical…

  4. Imparting amphiphobicity on single-crystalline porous materials

    OpenAIRE

    Sun, Qi; He, Hongming; Gao, Wen-Yang; Aguila, Briana; Wojtas, Lukasz; Dai, Zhifeng; Li, Jixue; Chen, Yu-Sheng; Xiao, Feng-Shou; Ma, Shengqian

    2016-01-01

    The sophisticated control of surface wettability for target-specific applications has attracted widespread interest for use in a plethora of applications. Despite the recent advances in modification of non-porous materials, surface wettability control of porous materials, particularly single crystalline, remains undeveloped. Here we contribute a general method to impart amphiphobicity on single-crystalline porous materials as demonstrated by chemically coating the exterior of metal-organic fr...

  5. Adsorption mechanism and kinetics of azo dye chemicals on oxide nanotubes: a case study using porous CeO2 nanotubes

    Science.gov (United States)

    Wu, Junshu; Wang, Jinshu; Du, Yucheng; Li, Hongyi; Jia, Xinjian

    2016-07-01

    Metal oxide nanotubes are believed to be promising materials with adsorption functionality for water purification due to their synergistic effect of the overall microscale morphology for easy separation and nanoscale surface characters providing enough surface active absorption sites. This work shows the synthesis of uniform hierarchical porous CeO2 nanotubes via nanowire-directed templating method and describes the adsorption behavior of CeO2 nanotubes for a typical azo dye Congo red which has resistance to oxidation and decoloration in natural conditions. Fourier transform infrared spectroscopy spectra provided the evidence that Congo red was successfully coated on the surface of CeO2 nanotubes by both bidentate-type bridge link of Ce4+ cations from sulfonate SO3 - groups and the electrostatic attraction between the protonated surface generated by oxygen vacancies and dissociated sulfonate groups. The adsorption kinetic data fitted well to the pseudo-second-order kinetic equation, whereas the Langmuir isotherm equation exhibited better correlation with the experimental data. The calculated maximum adsorption capacity from the isothermal model was 362.32 mg/g. In addition, the prepared CeO2 nanotubes exhibited good recyclability and reusability as highly efficient adsorbents for Congo red removal after regeneration. These favorable performances enable the obtained CeO2 nanotubes to be promising materials for dye removal from aqueous solution.

  6. Synthesis and characterization of a new material based on porous silica-Chemically immobilized C,N-pyridylpyrazole for heavy metals adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Radi, Smaail [Laboratoire de Chimie Organique, Macromoleculaire et Produits Naturels, Departement de Chimie, Faculte des Sciences, Universite Mohamed 1er, BP 524, 60 000 Oujda (Morocco)], E-mail: radi_smaail@yahoo.fr; Attayibat, Ahmed [Laboratoire de Chimie Organique, Macromoleculaire et Produits Naturels, Departement de Chimie, Faculte des Sciences, Universite Mohamed 1er, BP 524, 60 000 Oujda (Morocco); Lekchiri, Yahya [Laboratoire de Biochimie, Departement de Biologie, Faculte des Sciences, Universite Mohamed 1er, BP 524, 60 000 Oujda (Morocco); Ramdani, Abdelkrim [Laboratoire de Chimie Organique, Macromoleculaire et Produits Naturels, Departement de Chimie, Faculte des Sciences, Universite Mohamed 1er, BP 524, 60 000 Oujda (Morocco); Bacquet, Maryse [Laboratoire de Chimie Macromoleculaire, Universite des Sciences et Technologies de Lille, 59655 Villeneuve d' Ascq (France)

    2008-10-15

    The immobilization of C,N-pyridylpyrazole on the surface of epoxy group containing silica gel phase for the formation of a newly synthesized material based on porous silica-bound C,N-pyridylpyrazole (SGPP) is described. The surface modification was characterized by {sup 13}C NMR of solid sample, elemental analysis and infrared spectra and was studied and evaluated by determination of the surface area using the BET equation, the adsorption and desorption capability using the isotherm of nitrogen and BJH pore sizes, respectively. The new material exhibits good thermal stability determined by thermogravimetry curves. The synthesized material was utilised in column and batch methods for separation and trace extraction of (Hg{sup 2+}, Cd{sup 2+}, Pb{sup 2+}, Cu{sup 2+}, Zn{sup 2+}, K{sup +}, Na{sup +} and Li{sup +}) and compared to results of classical liquid-liquid extraction with the unbound C,N-pyridylpyrazole compound. The grafting at the surface of silica does not affect complexing properties of the ligand and the material exhibits a high selectivity toward Hg(II)

  7. Photonic Crystal Sensors Based on Porous Silicon

    Directory of Open Access Journals (Sweden)

    Claudia Pacholski

    2013-04-01

    Full Text Available Porous silicon has been established as an excellent sensing platform for the optical detection of hazardous chemicals and biomolecular interactions such as DNA hybridization, antigen/antibody binding, and enzymatic reactions. Its porous nature provides a high surface area within a small volume, which can be easily controlled by changing the pore sizes. As the porosity and consequently the refractive index of an etched porous silicon layer depends on the electrochemial etching conditions photonic crystals composed of multilayered porous silicon films with well-resolved and narrow optical reflectivity features can easily be obtained. The prominent optical response of the photonic crystal decreases the detection limit and therefore increases the sensitivity of porous silicon sensors in comparison to sensors utilizing Fabry-Pérot based optical transduction. Development of porous silicon photonic crystal sensors which allow for the detection of analytes by the naked eye using a simple color change or the fabrication of stacked porous silicon photonic crystals showing two distinct optical features which can be utilized for the discrimination of analytes emphasize its high application potential.

  8. Photonic crystal sensors based on porous silicon.

    Science.gov (United States)

    Pacholski, Claudia

    2013-04-09

    Porous silicon has been established as an excellent sensing platform for the optical detection of hazardous chemicals and biomolecular interactions such as DNA hybridization, antigen/antibody binding, and enzymatic reactions. Its porous nature provides a high surface area within a small volume, which can be easily controlled by changing the pore sizes. As the porosity and consequently the refractive index of an etched porous silicon layer depends on the electrochemial etching conditions photonic crystals composed of multilayered porous silicon films with well-resolved and narrow optical reflectivity features can easily be obtained. The prominent optical response of the photonic crystal decreases the detection limit and therefore increases the sensitivity of porous silicon sensors in comparison to sensors utilizing Fabry-Pérot based optical transduction. Development of porous silicon photonic crystal sensors which allow for the detection of analytes by the naked eye using a simple color change or the fabrication of stacked porous silicon photonic crystals showing two distinct optical features which can be utilized for the discrimination of analytes emphasize its high application potential.

  9. Group theory transformation for Soret and Dufour effects on free convective heat and mass transfer with thermophoresis and chemical reaction over a porous stretching surface in the presence of heat source/sink

    Energy Technology Data Exchange (ETDEWEB)

    Kandasamy, R., E-mail: future990@gmail.com [Computational Fluid Dynamics, FSSW, Universiti Tun Hussein Onn Malaysia, 86400 Batu Pahat, Johore (Malaysia); Hayat, T. [Department of Mathematics, Quaid-i-Azam University Islamabad (Pakistan); Department of Mathematics, College of Science, King Saud University, P.O. Box 2455, Riyadh 1451 (Saudi Arabia); Obaidat, S. [Department of Mathematics, College of Science, King Saud University, P.O. Box 2455, Riyadh 1451 (Saudi Arabia)

    2011-06-15

    Highlights: > The group theoretic method is of wide applicability. > Concentration boundary layer is significantly suppressed by the thermophoretic force. > Impact of Soret and Dufour effects in the presence of thermophoresis particle deposition with chemical reaction plays an important role on the flow field. - Abstract: The group theoretic method is applied for solving the problem of combined effect of thermal diffusion and diffusion thermo on free convective heat and mass transfer over a porous stretching surface in the presence of thermophoresis particle deposition with variable stream conditions. The application of one-parameter groups reduces the number of independent variables by one and consequently, the system of governing partial differential equations with the boundary conditions reduces to a system of ordinary differential equations with appropriate boundary conditions. The equations along with the boundary conditions are solved numerically by using Runge Kutta Gill integration scheme with shooting technique. Impact of Soret and Dufour effects in the presence of thermophoresis particle deposition with chemical reaction plays an important role on the flow field. The results thus obtained are presented graphically and discussed.

  10. Numerical simulation on the reduction of flow heterogeneity in the biofilter media

    Science.gov (United States)

    Yan, Weiwei; Liu, Xingli; Wu, Jie; Wei, Yikun; Xu, Peng

    2016-02-01

    The biofilters are the ideal solutions for the biological treatment of air pollutants. However, there exists strong flow heterogeneity in porous media that degrades the removal efficiency of biofilters. Thus, the effects of Darcy number, Reynolds number and porosity of porous media on the reduction of flow heterogeneity in three biofilter models were numerically studied by the lattice Boltzmann method. The simulation results lead to three conclusions: (1) The Darcy number has dominant influence on the flow heterogeneity in the biofilters. The reduction of flow heterogeneity can be realized by designing a comparatively low Darcy number. (2) The Reynolds number has obvious effect on the flow heterogeneity in the biofilters. However, the reduction of flow heterogeneity cannot be effectively established by regulating the Reynolds number. (3) The property of porous media greatly influences the flow heterogeneity in the biofilters. The present results are helpful for the optimized design of practical biofilter models.

  11. Methane storage in advanced porous materials.

    Science.gov (United States)

    Makal, Trevor A; Li, Jian-Rong; Lu, Weigang; Zhou, Hong-Cai

    2012-12-07

    The need for alternative fuels is greater now than ever before. With considerable sources available and low pollution factor, methane is a natural choice as petroleum replacement in cars and other mobile applications. However, efficient storage methods are still lacking to implement the application of methane in the automotive industry. Advanced porous materials, metal-organic frameworks and porous organic polymers, have received considerable attention in sorptive storage applications owing to their exceptionally high surface areas and chemically-tunable structures. In this critical review we provide an overview of the current status of the application of these two types of advanced porous materials in the storage of methane. Examples of materials exhibiting high methane storage capacities are analyzed and methods for increasing the applicability of these advanced porous materials in methane storage technologies described.

  12. Thermally induced acoustic waves in porous silicon

    Energy Technology Data Exchange (ETDEWEB)

    Gavrilchenko, Iryna V.; Shulimov, Yuriy G.; Skryshevsky, Valeriy A. [Radiophysics Department, Kyiv National Taras Shevchenko University, Kyiv (Ukraine); Benilov, Arthur I. [Radiophysics Department, Kyiv National Taras Shevchenko University, Kyiv (Ukraine); Laboratoire d' Electronique, Optoelectronique et Microsystemes, Ecole Centrale de Lyon, Ecully (France)

    2009-07-15

    Thermally induced acoustic waves in structures with porous silicon have been studied. Two different schemas of acoustic phenomena recording are compared: in the first one a signal from microphone was measured as function of output frequency, in second one the resistance of porous silicon was measured using Wheatstone bridge. For both methods, the resonance peak is situated in same frequencies depending on difference in thermal properties between porous silicon and c-Si as well as geometry of studied structures. 1.0 kHz shifting of resonance peak in saturated alcohol vapors comparing to ambient air is observed. It can be applied as new transducer for chemical sensors based on porous silicon. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  13. Bacterial Trapping in Porous Media Flows

    Science.gov (United States)

    Dehkharghani, Amin; Waisbord, Nicolas; Dunkel, Jörn; Guasto, Jeffrey

    2016-11-01

    Swimming bacteria inhabit heterogeneous, microstructured environments that are often characterized by complex, ambient flows. Understanding the physical mechanisms underlying cell transport in these systems is key to controlling important processes such as bioremediation in porous soils and infections in human tissues. We study the transport of swimming bacteria (Bacillus subtilis) in quasi-two-dimensional porous microfluidic channels with a range of periodic microstructures and flow strengths. Measured cell trajectories and the local cell number density reveal the formation of filamentous cell concentration patterns within the porous structures. The local cell densification is maximized at shear rates in the range 1-10 s-1, but widely varies with pore geometry and flow topology. Experimental observations are complemented by Langevin simulations to demonstrate that the filamentous patterns result from a coupling of bacterial motility to the complex flow fields via Jeffery orbits, which effectively 'trap' the bacteria on streamlines. The resulting microscopic heterogeneity observed here suppresses bacterial transport and likely has implications for both mixing and cell nutrient uptake in porous media flows. NSF CBET-1511340.

  14. Modification of reservoir chemical and physical factors in steamfloods to increase heavy oil recovery

    Energy Technology Data Exchange (ETDEWEB)

    Yortsos, Y.C.

    1996-12-31

    Thermal methods, and particularly steam injection, are currently recognized as the most promising for the efficient recovery of heavy oil. Despite significant progress, however, important technical issues remain open. Specifically, still inadequate is our knowledge of the complex interaction between porous media and the various fluids of thermal recovery (steam, water, heavy oil, gases, and chemicals). While, the interplay of heat transfer and fluid flow with pore- and macro-scale heterogeneity is largely unexplored. The objectives of this contract are to continue previous work and to carry out new fundamental studies in the following areas of interest to thermal recovery: displacement and flow properties of fluids involving phase change (condensation-evaporation) in porous media; flow properties of mobility control fluids (such as foam); and the effect of reservoir heterogeneity on thermal recovery. The specific projects are motivated by and address the need to improve heavy oil recovery from typical reservoirs as well as less conventional fractured reservoirs producing from vertical or horizontal wells. During this past quarter, work continued on: the development of relative permeabilities during steam displacement; the optimization of recovery processes in heterogeneous reservoirs by using optical control methods; and in the area of chemical additives, work continued on the behavior of non-Newtonian fluid flow and on foam displacements in porous media.

  15. Evaluation of the effects of microscale chemical and isotopic heterogeneity of coral skeleton on conventional Sr/Ca and 18O paleothermometers

    Indian Academy of Sciences (India)

    Takehiro Mitsuguchi

    2013-10-01

    Recent studies using secondary ion mass spectrometry revealed microscale heterogeneity of Sr/Ca and 18O in shallow-water coral skeletons, i.e., Sr/Ca and 18O differ significantly between two basic microfeatures of the skeleton: the center of calcification (COC) and surrounding fibrous skeleton (SFS). The COC, in contrast with the SFS, consists of highly irregular crystals intermingled with significant amount of organic matter; therefore, analyzing the SFS only would probably be favourable for paleotemperature reconstruction. Conventional Sr/Ca and 18O paleothermometers are, however, based on the analysis of the mixture of the COC and SFS, and thus may be significantly affected by the above-mentioned heterogeneity. In this study, I have evaluated the heterogeneity-induced effects on the conventional paleothermometers of Porites skeletons using published Sr/Ca, 18O and volume-fraction data of the COC and SFS and published observations of seasonal variability of bulk skeletal density. Results indicate that the effects may yield significant or serious errors in paleotemperature reconstruction.

  16. Preservation of Fe complexes into layered double hydroxides improves the efficiency and the chemical stability of Fe complexes used as heterogeneous photo-Fenton catalysts

    Science.gov (United States)

    Huang, Zhujian; Wu, Pingxiao; Gong, Beini; Lu, Yonghong; Zhu, Nengwu; Hu, Zhixian

    2013-12-01

    Fe complexes ([Fe(Ox)3]3- and [Fe(Cit)2]3-) have been heterogenized through preservation into MgAl-layered double hydroxides (LDHs). The SEM images and N2 adsorption-desorption isotherm showed that the obtained products were mesoporous materials and the specific surface area of LDHs/Fe-complex composites were obviously greater than pristine LDHs, which is beneficial for the adsorption of organic pollutants. Measurement of adsorptive and heterogeneous photo-Fenton degradation of methylene blue (MB) suggested that the LDHs/Fe-complex composites had an excellent adsorption capacity at different pHs and the adsorption isotherm modeled well with the Langmuir equation. The enhancement of adsorption capacity may be attributed to the external hydroxyl groups of LDHs. MB was enriched on the surface of LDHs/Fe-complex composites, which favors MB degradation in situ. The obtained composites displayed an high photocatalytic activity in a pH range from 4.0 to 6.0 with dissolved Fe cation at a low concentration. Therefore, Fe complexes intercalated into LDHs can be an effective heterogeneous Fenton catalyst for oxidation of organic pollutants in a relatively wide pH range.

  17. Visualizing Gas Adsorption on Porous Solids: Four Simple, Effective Demonstrations

    Science.gov (United States)

    Cheung, Ocean

    2014-01-01

    Gas adsorption on porous solids is a topic that is often discussed in an undergraduate chemistry or chemical engineering course. The idea of porosity and gas adsorption on a porous solid is usually discussed with adsorption isotherms recorded using commercially available equipment. This discussion can be rather abstract and can be difficult for…

  18. Chemical Heterogeneity of a Large Cluster IDP: Clues to its Formation History Using X-ray Fluorescence Mapping and XANES Spectroscopy

    Science.gov (United States)

    Wirick, S.; Flynn, G. J.; Sutton, S.; Zolensky, M. E.

    2013-01-01

    Chondritic porous IDPs may be among the most primitive objects found in our solar system [1]. They consist of many micron to submicron minerals, glasses and carbonaceous matter [2,3,4,5,6,7] with > 10(exp 4) grains in a 10 micron cluster [8]. Speculation on the environment where these fine grained, porous IDPs formed varies with possible sources being presolar dusty plasma clouds, protostellar condensation, solar asteroids or comets [4,6,9]. Also, fine grained dust forms in our solar system today [10,11]. Isotopic anomalies in some particles in IDPs suggest an interstellar source[4,7,12]. IDPs contain relic particles left from the dusty plasma that existed before the protostellar disk formed and other grains in the IDPs formed later after the cold dense nebula cloud collapsed to form our protostar and other grains formed more recently. Fe and CR XANES spectroscopy is used here to investigate the oxygen environment in a large (>50 10 micron or larger sub-units) IDP. Conclusions: Analyzing large (>50 10 micron or larger sub-units) CP IDPs gives one a view on the environments where these fine dust grains formed which is different from that found by only analyzing the small, 10 micron IDPs. As with cluster IDP L2008#5 [3], L2009R2 cluster #13 appears to be an aggregate of grains that sample a diversity of solar and perhaps presolar environments. Sub-micron, grain by grain measurement of trace element contents and elemental oxidation states determined by XANES spectroscopy offers the possibility of understanding the environments in which these grains formed when compared to standard spectra. By comparing thermodynamic modeling of condensates with analytical data an understanding of transport mechanisms operating in the early solar system may be attained.

  19. Preparation and Gas Adsorption of Porous Materials from Molecular Precursors

    DEFF Research Database (Denmark)

    Hu, Xinming

    ABSTRACT This thesis deals with the synthesis of porous materials and their applications in gas adsorption. The thesis consists of eight chapters as follows: The first two chapters provide a brief introduction to porous materials and gas adsorption. Chapter 1 gives an overview of construction...... and characteristics of various porous materials, including activated carbons, zeolites, metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and organic porous polymers (POPs). Chapter 2 briefly introduces gas adsorption theory, such as physical and chemical adsorption, adsorption isotherms...

  20. Seismic Absorption and Modulus Measurements in Porous Rocks in Lab and Field: Physical, Chemical, and Biological Effects of Fluids (Detecting a Biosurfactant Additive in a Field Irrigation Experiment)

    Energy Technology Data Exchange (ETDEWEB)

    Spetzler, Hartmut

    2006-05-01

    We have been exploring a new technology that is based on using low-frequency seismic attenuation data to monitor changes in fluid saturation conditions in two-fluid phase porous materials. The seismic attenuation mechanism is related to the loss of energy due to the hysteresis of resistance to meniscus movement (changes in surface tension, wettability) when a pore containing two fluids is stressed at very low frequencies (< 10 Hz). This technology has potential applications to monitoring changes in (1) leakage at buried waste sites, (2) contaminant remediation, and (3) flooding during enhanced petroleum recovery. We have concluded a three year field study at the Maricopa Agricultural Center site of the University of Arizona. Three sets of instruments were installed along an East-West line perpendicular to the 50m by 50m inigation site. Each set of instruments consisted of one three component seismometer and one tiltmeter. Microseisms and solid Earth-tides served as strain sources. The former have a power peak at a period of about 6 seconds and the tides have about two cycles per day. Installation of instruments commenced in late summer of 2002. The instruments operated nearly continuously until April 2005. During the fall of 2003 the site was irrigated with water and one year later with water containing 150 ppm of a biosurfactant additive. This biodegradable additive served to mimic a class of contaminants that change the surface tension of the inigation fluid. Tilt data clearly show tidal tilts superimposed on local tilts due to agricultural irrigation and field work. When the observed signals were correlated with site specific theoretical tilt signals we saw no anomalies for the water irrigation in 2003, but large anomalies on two stations for the surfactant irrigation in 2004. Occasional failures of seismometers as well as data acquisition systems contributed to less than continuous coverage. These data are noisier than the tilt data, but do also show possible

  1. High-quality elliptical iron glycolate nanosheets: selective synthesis and chemical conversion into FexOy nanorings, porous nanosheets, and nanochains with enhanced visible-light photocatalytic activity

    Science.gov (United States)

    Tong, Guoxiu; Liu, Yun; Wu, Tong; Ye, Yucheng; Tong, Chaoli

    2015-10-01

    This paper describes an original and facile polyol-mediated solvothermal synthesis of elliptical iron glycolate nanosheets (IGNSs) combined with precursor thermal conversion into γ-Fe2O3 and α-Fe2O3/γ-Fe2O3 porous nanosheets (PNSs), α-Fe2O3 nanochains (NCs), and elliptical Fe3O4 nanorings (NRs). The IGNSs were produced via the oxidation-reduction and co-precipitation reactions in the presence of iron(iii) salts, ethylene glycol, polyethylene glycol, and ethylenediamine. Control over Fe3+ concentration, temperature, and time can considerably modulate the size and phase of the products. The IGNSs can be transformed to γ-Fe2O3 and α-Fe2O3/γ-Fe2O3 PNSs, α-Fe2O3 NCs, and elliptical Fe3O4 NRs by heat treatment under various annealing temperatures and ambiences. The PNSs and NCs exhibited high soft magnetic properties and coercivity, respectively. Visible-light photocatalytic activity toward RhB in the presence of H2O2 by PNSs and NCs was phase-, SBET, size-, porosity-, and local structure-dependent, following the order: α-Fe2O3 NCs > α-Fe2O3/γ-Fe2O3 PNSs > γ-Fe2O3 PNSs > IGNSs. In particular, α-Fe2O3/γ-Fe2O3 PNSs possessed significantly enhanced photocatalytic activity with good recyclability and could be conveniently separated by an applied magnetic field because of high magnetization. We believe that the as-prepared α-Fe2O3/γ-Fe2O3 PNSs have potential practical use in waste water treatment and microwave absorption.This paper describes an original and facile polyol-mediated solvothermal synthesis of elliptical iron glycolate nanosheets (IGNSs) combined with precursor thermal conversion into γ-Fe2O3 and α-Fe2O3/γ-Fe2O3 porous nanosheets (PNSs), α-Fe2O3 nanochains (NCs), and elliptical Fe3O4 nanorings (NRs). The IGNSs were produced via the oxidation-reduction and co-precipitation reactions in the presence of iron(iii) salts, ethylene glycol, polyethylene glycol, and ethylenediamine. Control over Fe3+ concentration, temperature, and time can

  2. Influence of geometrical and operational parameters on the performance of porous catalytic membrane reactors

    NARCIS (Netherlands)

    Aran, H.C.; Klooster, H.J.G.; Jani, J.M.; Wessling, M.; Lefferts, L.; Lammertink, R.G.H.

    2012-01-01

    In this study, porous membrane reactors with various characteristic length (inner diameter), controllable catalyst support thickness, active catalyst surface area and tunable wetting properties are described for heterogeneously catalyzed gas¿liquid¿solid (G¿L¿S) reactions. We developed porous cerami

  3. Scaling Effects of Cr(VI) Reduction Kinetics. The Role of Geochemical Heterogeneity

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Li [Pennsylvania State Univ., State College, PA (United States); Li, Li [Pennsylvania State Univ., State College, PA (United States)

    2015-10-22

    The natural subsurface is highly heterogeneous with minerals distributed in different spatial patterns. Fundamental understanding of how mineral spatial distribution patterns regulate sorption process is important for predicting the transport and fate of chemicals. Existing studies about the sorption was carried out in well-mixed batch reactors or uniformly packed columns, with few data available on the effects of spatial heterogeneities. As a result, there is a lack of data and understanding on how spatial heterogeneities control sorption processes. In this project, we aim to understand and develop modeling capabilities to predict the sorption of Cr(VI), an omnipresent contaminant in natural systems due to its natural occurrence and industrial utilization. We systematically examine the role of spatial patterns of illite, a common clay, in determining the extent of transport limitation and scaling effects associated with Cr(VI) sorption capacity and kinetics using column experiments and reactive transport modeling. Our results showed that the sorbed mass and rates can differ by an order of magnitude due to of the illite spatial heterogeneities and transport limitation. With constraints from data, we also developed the capabilities of modeling Cr(VI) in heterogeneous media. The developed model is then utilized to understand the general principles that govern the relationship between sorption and connectivity, a key measure of the spatial pattern characteristics. This correlation can be used to estimate Cr(VI) sorption characteristics in heterogeneous porous media. Insights gained here bridge gaps between laboratory and field application in hydrogeology and geochemical field, and advance predictive understanding of reactive transport processes in the natural heterogeneous subsurface. We believe that these findings will be of interest to a large number of environmental geochemists and engineers, hydrogeologists, and those interested in contaminant fate and transport

  4. Non-linear heat and mass transfer in a MHD Homann nanofluid flow through a porous medium with chemical reaction, heat generation and uniform inflow

    Science.gov (United States)

    EL-Dabe, N. T.; Attia, H. A.; Essawy, M. A. I.; Ramadan, A. A.; Abdel-Hamid, A. H.

    2016-11-01

    The steady MHD axisymmetric flow of an incompressible viscous electrically conducting nanofluid impinging on a permeable plate is investigated with heat and mass transfer. An external uniform magnetic field as well as a uniform inflow, in the presence of either suction or injection, are applied normal to the plate. The effects of heat (generation/absorption) and chemical reaction have been accentuated. This study indicates the incorporated influence of both the thermophoresis phenomenon and the Brownian behavior. Numerical solutions for the governing non-linear momentum, energy and nanoparticle equations have been obtained. The rates of heat and mass transfer are presented and discussed.

  5. Heat and Mass Transfer Effects on Unsteady MHD Natural Convection Flow of a Chemically Reactive and Radiating Fluid through a Porous Medium Past a Moving Vertical Plate with Arbitrary Ramped Temperature

    Directory of Open Access Journals (Sweden)

    Gauri Shanker Seth

    2016-01-01

    Full Text Available Investigation of unsteady hydromagnetic natural convection flow with heat and mass transfer of a viscous, incompressible, electrically conducting, chemically reactive and optically thin radiating fluid past an exponentially accelerated moving vertical plate with arbitrary ramped temperature embedded in a fluid saturated porous medium is carried out. Exact solutions of momentum, energy and concentration equations are obtained in closed form by Laplace transform technique. The expressions for the shear stress, rate of heat transfer and rate of mass transfer at the plate for both ramped temperature and isothermal plates are derived. The numerical values of fluid velocity, fluid temperature and species concentration are displayed graphically whereas those of shear stress, rate of heat transfer and rate of mass transfer at the plate are presented in tabular form for various values of pertinent flow parameters. It is found that, for isothermal plate, the fluid temperature approaches steady state when t  1.5 . Consequently, the rate of heat transfer at isothermal plate approaches steady state when t  1.5 .

  6. The Effects of Variable Viscosity, Viscous Dissipation and Chemical Reaction on Heat and Mass Transfer Flow of MHD Micropolar Fluid along a Permeable Stretching Sheet in a Non-Darcian Porous Medium

    Directory of Open Access Journals (Sweden)

    A. M. Salem

    2013-01-01

    Full Text Available A numerical model is developed to study the effects of temperature-dependent viscosity on heat and mass transfer flow of magnetohydrodynamic(MHD micropolar fluids with medium molecular weight along a permeable stretching surface embedded in a non-Darcian porous medium in the presence of viscous dissipation and chemical reaction. The governing boundary equations for momentum, angular momentum (microrotation, and energy and mass transfer are transformed to a set of nonlinear ordinary differential equations by using similarity solutions which are then solved numerically by shooting technique. A comparison between the analytical and the numerical solutions has been included. The effects of the various physical parameters entering into the problem on velocity, microrotation, temperature and concentration profiles are presented graphically. Finally, the effects of pertinent parameters on local skin-friction coefficient, local Nusselt number and local Sherwood number are also presented graphically. One important observation is that for some kinds of mixtures (e.g., H2, air with light and medium molecular weight, the magnetic field and temperature-dependent viscosity effects play a significant role and should be taken into consideration as well.

  7. Coupled modeling of non-isothermal multiphase flow, solutetransport and reactive chemistry in porous and fractured media: 1. ModelDevelopment and Validation

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Tianfu; Pruess, Karsten

    1998-09-01

    Coupled modeling of subsurface multiphase fluid and heat flow, solute transport and chemical reactions can be used for the assessment of acid mine drainage remediation, mineral deposition, waste disposal sites, hydrothermal convection, contaminant transport, and groundwater quality. Here they present a numerical simulation model, TOUGHREACT, which considers non-isothermal multi-component chemical transport in both liquid and gas phases. A wide range of subsurface thermo-physical-chemical processes is considered. The model can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity. The model can accommodate any number of chemical species present in liquid, gas and solid phases. A variety of equilibrium chemical reactions is considered, such as aqueous complexation, gas dissolution/exsolution, cation exchange, and surface complexation. Mineral dissolution/precipitation can proceed either subject to local equilibrium or kinetic conditions. The coupled model employs a sequential iteration approach with reasonable computing efficiency. The development of the governing equations and numerical approach is presented along with the discussion of the model implementation and capabilities. The model is verified for a wide range of subsurface physical and chemical processes. The model is well suited for flow and reactive transport in variably saturated porous and fractured media. In the second of this two-part paper, three applications covering a variety of problems are presented to illustrate the capabilities of the model.

  8. Adsorption Kinetics in Nanoscale Porous Coordination Polymers

    Energy Technology Data Exchange (ETDEWEB)

    Nune, Satish K.; Thallapally, Praveen K.; McGrail, Benard Peter; Annapureddy, Harsha V. R.; Dang, Liem X.; Mei, Donghai; Karri, Naveen; Alvine, Kyle J.; Olszta, Matthew J.; Arey, Bruce W.; Dohnalkova, Alice

    2015-10-07

    Nanoscale porous coordination polymers were synthesized using simple wet chemical method. The effect of various polymer surfactants on colloidal stability and shape selectivity was investigated. Our results suggest that the nanoparticles exhibited significantly improved adsorption kinetics compared to bulk crystals due to decreased diffusion path lengths and preferred crystal plane interaction.

  9. Optimal design of porous structures for the fastest liquid absorption.

    Science.gov (United States)

    Shou, Dahua; Ye, Lin; Fan, Jintu; Fu, Kunkun

    2014-01-14

    Porous materials engineered for rapid liquid absorption are useful in many applications, including oil recovery, spacecraft life-support systems, moisture management fabrics, medical wound dressings, and microfluidic devices. Dynamic absorption in capillary tubes and porous media is driven by the capillary pressure, which is inversely proportional to the pore size. On the other hand, the permeability of porous materials scales with the square of the pore size. The dynamic competition between these two superimposed mechanisms for liquid absorption through a heterogeneous porous structure may lead to an overall minimum absorption time. In this work, we explore liquid absorption in two different heterogeneous porous structures [three-dimensional (3D) circular tubes and porous layers], which are composed of two sections with variations in radius/porosity and height. The absorption time to fill the voids of porous constructs is expressed as a function of radius/porosity and height of local sections, and the absorption process does not follow the classic Washburn's law. Under given height and void volume, these two-section structures with a negative gradient of radius/porosity against the absorption direction are shown to have faster absorption rates than control samples with uniform radius/porosity. In particular, optimal structural parameters, including radius/porosity and height, are found that account for the minimum absorption time. The liquid absorption in the optimized porous structure is up to 38% faster than in a control sample. The results obtained can be used a priori for the design of porous structures with excellent liquid management property in various fields.

  10. Heterogeneous recording media

    Science.gov (United States)

    Sukhanov, Vitaly I.

    1991-02-01

    The paper summarizes the results of investigations performed to obtain deep 3-D holograms with 102 i0 mkm physical thickness allowing the postexposure amplification and the a posteriori changing of the grating parameters. This aim has been achieved by developing heterogeneous systems on the basis of porous glass with light-sensitive compositions introduced into it. 1. INTRODUCTION. LIGHT-SENSITIVE MEDIA FOR 3-D HOLOGRAMS RECORDING. The 3-D holograms have many useful properties: very high diffraction efficiency angular and spectral selectivity but low level of noise. It shoud be noted that in this case deep 3-D holograms are dealt with whose physical thickness is as high as 102 -i mkm. Such hologram recording is usually done using homogeneous light-sensitive media for example dyed acid-halide and electrooptical crystals photochrome glass photostructurized polimer compositions and so on. The nature of photophisical and photochemical processes responsible for the light sensitivity of these materials exclude the possibility of post-exposure treatment. This does not allow to enhance the recorded holograms and considerably hampers their fixing or makes it practically impossible. The object of our work is to create the media which are quite suitable for two-stage processes of the deep hologram formation with post-exposure processing. Such material must satisfy the following requirements: a)they must have high permeability for the developing substances in order to make the development duration suitable for practical applications b)they must be shrinkproof to prevent deformation of the

  11. Multiscaling of soils as heterogeneous complex networks

    OpenAIRE

    Santiago Andrés, Antonio; Cardenas Villalobos, Juan Pablo; Losada González, Juan Carlos; Benito Zafrilla, Rosa Maria; Tarquis Alfonso, Ana Maria; Borondo Rodríguez, Florentino

    2008-01-01

    In this paper we present a complex network model based on a heterogeneous preferential attachment scheme to quantify the structure of porous soils. Under this perspective pores are represented by nodes and the space for the flow of fluids between them is represented by links. Pore properties such as position and size are described by fixed states in a metric space, while an affinity function is introduced to bias the attachment probabilities of links according to these properties. We perform ...

  12. Disordered hyperuniform heterogeneous materials

    Science.gov (United States)

    Torquato, Salvatore

    2016-10-01

    Disordered hyperuniform many-body systems are distinguishable states of matter that lie between a crystal and liquid: they are like perfect crystals in the way they suppress large-scale density fluctuations and yet are like liquids or glasses in that they are statistically isotropic with no Bragg peaks. These systems play a vital role in a number of fundamental and applied problems: glass formation, jamming, rigidity, photonic and electronic band structure, localization of waves and excitations, self-organization, fluid dynamics, quantum systems, and pure mathematics. Much of what we know theoretically about disordered hyperuniform states of matter involves many-particle systems. In this paper, we derive new rigorous criteria that disordered hyperuniform two-phase heterogeneous materials must obey and explore their consequences. Two-phase heterogeneous media are ubiquitous; examples include composites and porous media, biological media, foams, polymer blends, granular media, cellular solids, and colloids. We begin by obtaining some results that apply to hyperuniform two-phase media in which one phase is a sphere packing in d-dimensional Euclidean space {{{R}}d} . Among other results, we rigorously establish the requirements for packings of spheres of different sizes to be ‘multihyperuniform’. We then consider hyperuniformity for general two-phase media in {{{R}}d} . Here we apply realizability conditions for an autocovariance function and its associated spectral density of a two-phase medium, and then incorporate hyperuniformity as a constraint in order to derive new conditions. We show that some functional forms can immediately be eliminated from consideration and identify other forms that are allowable. Specific examples and counterexamples are described. Contact is made with well-known microstructural models (e.g. overlapping spheres and checkerboards) as well as irregular phase-separation and Turing-type patterns. We also ascertain a family of

  13. Porous Silicon & Titanium Dioxide Coatings Prepared by Atmospheric Pressure Plasma Jet Chemical Vapour Deposition Technique-A Novel Coating Technology for Photovoltaic Modules

    Directory of Open Access Journals (Sweden)

    S. Bhatt

    2011-01-01

    Full Text Available Atmospheric Pressure Plasma Jet (APPJ is an alternative for wet processes used to make anti reflection coatings and smooth substrate surface for the PV module. It is also an attractive technique because of it’s high growth rate, low power consumption, lower cost and absence of high cost vacuum systems. This work deals with the deposition of silicon oxide from hexamethyldisiloxane (HMDSO thin films and titanium dioxide from tetraisopropyl ortho titanate using an atmospheric pressure plasma jet (APPJ system in open air conditions. A sinusoidal high voltage with a frequency between 19-23 kHz at power up to 1000 W was applied between two tubular electrodes separated by a dielectric material. The jet, characterized by Tg ~ 600-800 K, was mostly laminar (Re ~ 1200 at the nozzle exit and became partially turbulent along the jet axis (Re ~ 3300. The spatially resolved emission spectra showed OH, N2, N2+ and CN molecular bands and O, H, N, Cu and Cr lines as well as the NO2 chemiluminescence continuum (450-800 nm. Thin films with good uniformity on the substrate were obtained at high deposition rate, between 800 -1000 nm.s-1, and AFM results revealed that coatings are relatively smooth (Ra ~ 2 nm. The FTIR and SEM analyses were better used to monitor the chemical composition and the morphology of the films in function of the different experimental conditions.

  14. Resurgence flows in porous media

    Science.gov (United States)

    Adler, Pierre; Mityushev, Vladimir

    2010-05-01

    Porous media are generally described by the Darcy equation when the length scales are sufficiently large with respect to the pore scale. This approach is also applicable when the media are heterogeneous, i.e., when permeability varies with space which is the most common case. In addition, real media are very often fractured; for a long time, this complex physical problem has been schematized by the double porosity model devised by Barenblatt. More recently, these fractured media have been addressed with a detailed description of the fractures and of their hydrodynamic interaction with the surrounding porous medium. This approach will be briefly summarized and the main recent progress surveyed (2). There is another situation which occurs frequently in underground studies. One well is connected to a distant well while it is not connected to closer wells. Such a situation can only be understood if there is a direct link between the two connected wells and if this link has little if any hydrodynamic interaction with the porous medium that it crosses. This link can be a fracture or more likely a set of fractures. This phenomenon is called resurgence because of the obvious analogy with rivers which suddenly disappear underground and go out at the ground surface again. Similar ideas have already been developed in other fields. In Physics, random networks limited to nearest neighbors have been recently extended to small world models where distant vertices can be related directly by a link. The electrical testing of porous media by electrical probes located at the walls (electrical tomography) has been used frequently in Geophysics since it is a non-invasive technique; this classical technique corresponds exactly to the situation addressed here from a different perspective. Media with resurgences consist of a double structure (3). The first one which is continuous is described by Darcy law as usual. The second one models the resurgences by capillaries with impermeable walls

  15. Computational thermal, chemical, fluid, and solid mechanics for geosystems management.

    Energy Technology Data Exchange (ETDEWEB)

    Davison, Scott; Alger, Nicholas; Turner, Daniel Zack; Subia, Samuel Ramirez; Carnes, Brian; Martinez, Mario J.; Notz, Patrick K.; Klise, Katherine A.; Stone, Charles Michael; Field, Richard V., Jr.; Newell, Pania; Jove-Colon, Carlos F.; Red-Horse, John Robert; Bishop, Joseph E.; Dewers, Thomas A.; Hopkins, Polly L.; Mesh, Mikhail; Bean, James E.; Moffat, Harry K.; Yoon, Hongkyu

    2011-09-01

    This document summarizes research performed under the SNL LDRD entitled - Computational Mechanics for Geosystems Management to Support the Energy and Natural Resources Mission. The main accomplishment was development of a foundational SNL capability for computational thermal, chemical, fluid, and solid mechanics analysis of geosystems. The code was developed within the SNL Sierra software system. This report summarizes the capabilities of the simulation code and the supporting research and development conducted under this LDRD. The main goal of this project was the development of a foundational capability for coupled thermal, hydrological, mechanical, chemical (THMC) simulation of heterogeneous geosystems utilizing massively parallel processing. To solve these complex issues, this project integrated research in numerical mathematics and algorithms for chemically reactive multiphase systems with computer science research in adaptive coupled solution control and framework architecture. This report summarizes and demonstrates the capabilities that were developed together with the supporting research underlying the models. Key accomplishments are: (1) General capability for modeling nonisothermal, multiphase, multicomponent flow in heterogeneous porous geologic materials; (2) General capability to model multiphase reactive transport of species in heterogeneous porous media; (3) Constitutive models for describing real, general geomaterials under multiphase conditions utilizing laboratory data; (4) General capability to couple nonisothermal reactive flow with geomechanics (THMC); (5) Phase behavior thermodynamics for the CO2-H2O-NaCl system. General implementation enables modeling of other fluid mixtures. Adaptive look-up tables enable thermodynamic capability to other simulators; (6) Capability for statistical modeling of heterogeneity in geologic materials; and (7) Simulator utilizes unstructured grids on parallel processing computers.

  16. Hierarchical Porous Structures

    Energy Technology Data Exchange (ETDEWEB)

    Grote, Christopher John [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-06-07

    Materials Design is often at the forefront of technological innovation. While there has always been a push to generate increasingly low density materials, such as aero or hydrogels, more recently the idea of bicontinuous structures has gone more into play. This review will cover some of the methods and applications for generating both porous, and hierarchically porous structures.

  17. In-situ characterization of heterogeneous catalysts

    CERN Document Server

    Rodriguez, Jose A; Chupas, Peter J

    2013-01-01

    Helps researchers develop new catalysts for sustainable fuel and chemical production Reviewing the latest developments in the field, this book explores the in-situ characterization of heterogeneous catalysts, enabling readers to take full advantage of the sophisticated techniques used to study heterogeneous catalysts and reaction mechanisms. In using these techniques, readers can learn to improve the selectivity and the performance of catalysts and how to prepare catalysts as efficiently as possible, with minimum waste. In-situ Characterization of Heterogeneous Catalysts feat

  18. Porous media fluid transport and pore structure

    CERN Document Server

    Dullien, F A L

    1992-01-01

    This book examines the relationship between transport properties and pore structure of porous material. Models of pore structure are presented with a discussion of how such models can be used to predict the transport properties of porous media. Portions of the book are devoted to interpretations of experimental results in this area and directions for future research. Practical applications are given where applicable, and are expected to be useful for a large number of different fields, including reservoir engineering, geology, hydrogeology, soil science, chemical process engineering, biomedica

  19. Modification of reservoir chemical and physical factors in steamfloods to increase heavy oil recovery

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-12-31

    Thermal methods, and particularly steam injection, are currently recognized as the most promising for the efficient recovery of heavy oil. Despite significant progress, however, important technical issues remain open. Specifically, still inadequate is our knowledge of the complex interaction between porous media and the various fluids of thermal recovery (steam, water, heavy oil, gases, and chemicals). While, the interplay of heat transfer and fluid flow with pore- and macro-scale heterogeneity is largely unexplored. The objectives of this contract are to continue previous work and to carry out new fundamental studies in the following areas of interest to thermal recovery: displacement and flow properties of fluids involving phase change (condensation-evaporation) in porous media; flow properties of mobility control fluids (such as foam); and the effect of reservoir heterogeneity on thermal recovery. The specific projects are motivated by and address the need to improve heavy oil recovery from typical reservoirs as well as less conventional fractured reservoirs producing from vertical or horizontal wells. During this quarter work continued on: development of relative permeabilities during steam injection; optimization of recovery processes in heterogeneous reservoirs by using optimal control methods; and behavior of non-Newtonian fluid flow and on foam displacements in porous media.

  20. An analysis of seismic attenuation in random porous media

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The attenuation of seismic wave in rocks has been one of the interesting research topics, but till now no poroelasticity models can thoroughly explain the strong attenuation of wave in rocks. In this paper, a random porous medium model is designed to study the law of wave propagation in complex rocks based on the theory of Biot poroelasticity and the general theory of stochastic process. This model sets the density of grain, porosity, permeability and modulus of frame as random parameters in space, and only one fluid infiltrates in rocks for the sake of better simulation effect in line with real rocks in earth strata. Numerical simulations are implemented. Two different inverse quality factors of fast P-wave are obtained by different methods to assess attenuation through records of virtual detectors in wave field (One is amplitude decay method in time domain and the other is spectral ratio method in frequency domain). Comparing the attenuation results of random porous medium with those of homogeneous porous medium, we conclude that the attenuation of seismic wave of homogeneous porous medium is far weaker than that of random porous medium. In random porous media, the higher heterogeneous level is, the stronger the attenuation becomes, and when heterogeneity σ = 0.15 in simulation, the attenuation result is consistent with that by actual observation. Since the central frequency (50 Hz) of source in numerical simulation is in earthquake band, the numerical results prove that heterogeneous porous structure is one of the important factors causing strong attenuation in real stratum at intermediate and low frequency.

  1. The Dam Bursts for Porous Liquids.

    Science.gov (United States)

    James, Stuart L

    2016-07-01

    In 2007 the idea was put forward that, through careful molecular design, it should be possible to synthesize liquids which contain permanent, well-defined molecule-sized cavities (pores). Such "porous liquids" could be a kind of liquid zeolite, or liquid MOF (metal-organic framework), exhibiting the size and shape-selective sorption (or dissolution) associated with microporous solids as well as the fluidity of liquids - a new and potentially useful combination of properties. However, these materials remained essentially hypothetical until recently. In 2014 and 2015 three papers were published which describe convincing examples of porous liquids, and studies have shown that they do exhibit some remarkable properties, such as very fast gas diffusion and high gas solubilities. The examples reported so far are almost certainly only the tip of the iceberg. Now that porous liquids are 'real', a new area of materials science may open up, with clear potential for long-term applications in chemical processes.

  2. Fabrication of interfacial functionalized porous polymer monolith and its adsorption properties of copper ions.

    Science.gov (United States)

    Han, Jiaxi; Du, Zhongjie; Zou, Wei; Li, Hangquan; Zhang, Chen

    2014-07-15

    The interfacial functionalized poly (glycidyl methacrylate) (PGMA) porous monolith was fabricated and applied as a novel porous adsorbent for copper ions (Cu(2+)). PGMA porous material with highly interconnected pore network was prepared by concentrated emulsion polymerization template. Then polyacrylic acid (PAA) was grafted onto the interface of the porous monolith by the reaction between the epoxy group on PGMA and a carboxyl group on PAA. Finally, the porous monolith was interfacial functionalized by rich amount of carboxyl groups and could adsorb copper ions effectively. The chemical structure and porous morphology of the porous monolith were measured by Fourier transform infrared spectroscopy and scanning electron microscopy. Moreover, the effects of pore size distribution, pH value, co-existing ions, contacting time, and initial concentrations of copper ions on the adsorption capacity of the porous adsorbents were studied.

  3. Summer and winter time heterogeneity in aerosol single scattering albedo over the northwestern Atlantic Ocean during the TCAP field campaign: Relationship to chemical composition and mixing state

    Science.gov (United States)

    Berg, L. K.; Chand, D.; Fast, J. D.; Zelenyuk, A.; Wilson, J. M.; Sedlacek, A. J., III; Tomlinson, J. M.; Hubbe, J. M.; Comstock, J. M.; Mei, F.; Kassianov, E.; Schmid, B.

    2015-12-01

    Aerosol play crucial role in earth's radiative budget by scattering and absorbing solar radiation. The impact of aerosol on radiation budget depend on several factors including single scattering albedo (SSA), composition, and the growth processes, like coating or mixing. We describe findings relevant to optical properties of aerosol characterized over the Cape Cod and nearby northwest Atlantic Ocean during the Two Column Aerosol Project (TCAP) during the summer (July 2012) and winter (February 2013) campaigns. The average single scattering albedo (SSA) shows distinctly different vertical profiles during the summer and winter periods. During the summer study period, the average SSA is greater than 0.95 near surface, it increases to 0.97 until an altitude of 2.5 km, and then decreases to 0.94 at top of the column near 4 km. In contrast, during the winter study period the average SSA is less than 0.93 and decreases with height reaching an average value of 0.87 near the top of the column. The large difference in summer and winter time SSA is linked to the presence of biomass burning (BB) aerosol rather than black carbon or soot in both seasons. In our study, the BB on average is factor of two higher in free troposphere (FT) during summer and more than a factor of two higher in the boundary layer during winter. Single particle analysis indicates that the average profiles of refractory black carbon (rBC) mass are similar in both seasons. The average rBC size are similar at all altitudes sampled (0-4 km) in summer time but different during winter time. In addition, the particles sampled in the summertime FT appear to be more aged than those seen during winter. The observed large heterogeneity in SSA and its links to the particle coating and composition highlights the importance of aging and mixing processes of aerosol in this region and represents a challenge for both regional and global scale models.

  4. Heterogeneity and Microeconometrics Modelling

    DEFF Research Database (Denmark)

    Browning, Martin; Carro, Jesus

    Presented at the 2005 Econometric Society World Congress Plenary Session on "Modelling Heterogeneity". We survey the treatment of heterogeneity in applied microeconometrics analyses. There are three themes. First, there is usually much more heterogeneity than empirical researchers allow for. Seco...

  5. FACADE SYSTEM MADE OF POROUS MATERIALS

    Directory of Open Access Journals (Sweden)

    Zhukov Aleksey Dmitrievich

    2012-10-01

    Full Text Available The proposed multi-component façade system is made of porous concretes employed both as bearing structures and for heat insulation and fireproofing purposes. The authors also provide their recommendations in respect of the mounting of the proposed façade system. The façade system considered in the article is composed of wall foam concrete blocks reinforced by basalt fibers (bearing elements of the structure, cellular concrete polystyrene (thermal insulation, and porous concrete (fireproofing and thermal insulation. Retained shuttering (in the fireproofing sections represents chrysolite cement sheets attached to the structures composed of glass-fiber plastic elements. The application of insulating porous concrete as a fireproofing material is based on the principle of adjustable stress-strained states of materials in the environment of variable pressure. This technology was developed at Moscow State University of Civil Engineering, and it was initially designated for the manufacturing of tailor-made products. The above concrete is also designated for retained shuttering and modified cavity masonry walls. Porous concrete that expands inside the fireproofing cavity ensures a tight contact both with the basic material and thermal insulation plates. The use of materials of the same origin (Portland cement means the formation of strong transition zones connecting the system components in the course of its hardening and further operation. The results of the thermotechnical calculation demonstrate that the thermal resistance registered on the surface of the wall that is 3 meters high (that has a 0.4 m fireproofing cavity is equal to 3.98 sq. m. C/Wt. The value of the coefficient of thermotechnical heterogeneity (r is equal to 0.86 with account for the thickness and thermal conductivity of point and linear elements. If the thermotechnical heterogeneity is taken into consideration, the thermal resistance of the proposed wall is equal to 3.42 m2 С/Wt.

  6. Potencies of antagonists chemically related to iodoproxyfan at histamine H3 receptors in mouse brain cortex and guinea-pig ileum: evidence for H3 receptor heterogeneity?

    Science.gov (United States)

    Schlicker, E; Kathmann, M; Bitschnau, H; Marr, I; Reidemeister, S; Stark, H; Schunack, W

    1996-04-01

    We determined the affinities of 16 newly synthesized H3 receptor antagonists in an H3 receptor binding assay and the potencies of 12 of these compounds at functional H3 receptors in the mouse brain cortex and guinea-pig ileum. The compounds differ from histamine in that the C-C-N side chain is replaced by a chain of the structure C-C-C-O. The two major aims of the study were (1) to investigate whether the two functional H3 receptors are pharmacologically different and (2) to derive structure-activity relationships. The specific binding of 3H-Na-methylhistamine to rat brain cortex membranes was monophasically displaced by each of the 16 compounds at pKi values ranging from 7.30 to 9.48. In superfused mouse brain cortex slices preincubated with 3H-noradrenaline, the electrically evoked tritium overflow was slightly decreased by iodoproxyfan and its deiodo analogue; this effect was counteracted by the H3 receptor antagonist clobenpropit. The other compounds did not affect the evoked tritium overflow by themselves. The concentration-response curve of histamine for its inhibitory effect on the electrically evoked tritium overflow was shifted to the right by the 12 compounds with apparent pA2 values ranging from 7.02 to 9.00. The 12 compounds also shifted to the right the concentration-response curve of R-a-methylhistamine for its inhibitory effect on the electrically induced contraction in guinea-pig ileum strips; the apparent pA2 values ranged from 5.97 to 9.00. Iodoproxyfan decreased the electrically induced contraction by itself and this effect was counteracted by the H3 receptor antagonist thioperamide. The apparent pA2 values in the two functional H3 receptor models showed a highly significant correlation (r = 0.882; P H3 receptor antagonist potency. The two functional H3 receptors in the mouse brain cortex and the guinea-pig ileum may be slightly different; further studies are necessary to clarify whether this difference is due to H3 receptor heterogeneity

  7. Porous Alumina as a Promising Biomaterial for Public Health.

    Science.gov (United States)

    Bragazzi, Nicola Luigi; Gasparini, Roberto; Amicizia, Daniela; Panatto, Donatella; Larosa, Claudio

    2015-01-01

    Porous aluminum is a nanostructured material characterized by unique properties, such as chemical stability, regular uniformity, dense hexagonal porous lattice with high aspect ratio nanopores, excellent mechanical strength, and biocompatibility. This overview examines how the structure and properties of porous alumina can be exploited in the field of public health. Porous alumina can be employed for fabricating membranes and filters for bioremediation, water ultrafiltration, and microfiltration/nanofiltration, being a promising technique for having clean and fresh water, which is essential for human health. Porous alumina-based nanobiosensor coated with specific antibodies or peptides seem to be a useful tool to detect and remove pathogens both in food and in water, as well as for environmental monitoring. Further, these applications, being low-energy demanding and cost-effective, are particularly valuable in resource-limited settings and contexts, and can be employed as point of use devices in developing countries, where there is an urgent need of hygiene and safety assurance.

  8. Stochastic porous media equations

    CERN Document Server

    Barbu, Viorel; Röckner, Michael

    2016-01-01

    Focusing on stochastic porous media equations, this book places an emphasis on existence theorems, asymptotic behavior and ergodic properties of the associated transition semigroup. Stochastic perturbations of the porous media equation have reviously been considered by physicists, but rigorous mathematical existence results have only recently been found. The porous media equation models a number of different physical phenomena, including the flow of an ideal gas and the diffusion of a compressible fluid through porous media, and also thermal propagation in plasma and plasma radiation. Another important application is to a model of the standard self-organized criticality process, called the "sand-pile model" or the "Bak-Tang-Wiesenfeld model". The book will be of interest to PhD students and researchers in mathematics, physics and biology.

  9. Chemical microreactor and method thereof

    Science.gov (United States)

    Morse, Jeffrey D.; Jankowski, Alan

    2011-08-09

    A method for forming a chemical microreactor includes forming at least one capillary microchannel in a substrate having at least one inlet and at least one outlet, integrating at least one heater into the chemical microreactor, interfacing the capillary microchannel with a liquid chemical reservoir at the inlet of the capillary microchannel, and interfacing the capillary microchannel with a porous membrane near the outlet of the capillary microchannel, the porous membrane being positioned beyond the outlet of the capillary microchannel, wherein the porous membrane has at least one catalyst material imbedded therein.

  10. Experimental investigations on the fluid flow mechanism in porous media of enhanced oil recovery by alkli/surfactant/polymer flooding

    Institute of Scientific and Technical Information of China (English)

    WANG Jialu; SHEN Pingping; CHEN Yongzhong; ZHANG Zubo; JIA Xu; TIAN Yuling

    2005-01-01

    The fluid flow mechanism in porous media of enhanced oil recovery by Alkli/ Surfactant/ Polymer (ASP) flooding is investigated by measuring production performance, pressure distribution and saturation distribution through installing differential pressure transducers and saturation measuring probes in a physical model of vertical heterogeneous reservoir. The fluid flow variation in porous media is the main reason of enhanced oil recovery of ASP flooding. The pressure field and saturation field are nonlinearly coupled together and the interaction between them results in the fluid flow variation in the reservoir. In a vertical heterogeneous reservoir, the ASP agents initially flow in the high permeability layer, and fluid changes the flow direction toward the low and the middle permeability layers because the resistance in the high permeability layer is increased under the physical and chemical action of adsorption, retention and emulsion. ASP flooding displaces out not only the residual oil in the high permeability layer, but also the remaining oil in the low and the middle permeability layers by increasing swept volume and displacing efficiency.

  11. Heterogeneous Metal Catalysts for Oxidation Reactions

    Directory of Open Access Journals (Sweden)

    Md. Eaqub Ali

    2014-01-01

    Full Text Available Oxidation reactions may be considered as the heart of chemical synthesis. However, the indiscriminate uses of harsh and corrosive chemicals in this endeavor are threating to the ecosystems, public health, and terrestrial, aquatic, and aerial flora and fauna. Heterogeneous catalysts with various supports are brought to the spotlight because of their excellent capabilities to accelerate the rate of chemical reactions with low cost. They also minimize the use of chemicals in industries and thus are friendly and green to the environment. However, heterogeneous oxidation catalysis are not comprehensively presented in literature. In this short review, we clearly depicted the current state of catalytic oxidation reactions in chemical industries with specific emphasis on heterogeneous catalysts. We outlined here both the synthesis and applications of important oxidation catalysts. We believe it would serve as a reference guide for the selection of oxidation catalysts for both industries and academics.

  12. Heterogeneous catalysis and the challenges of powering the planet, securing chemicals for civilised life, and clean efficient utilization of renewable feedstocks.

    Science.gov (United States)

    Thomas, John Meurig

    2014-07-01

    This article reviews, first, the prospects, practices and principles of generating solar fuels. It does so with an analysis of recent progress in the light-driven emission of H2 (and other fuels) as well as O2 from water. To place this challenge in perspective, some current practices entailing the use of well-proven solid catalysts developed for fossil-based feedstocks, are described. The massive differences between proven methods of generating fuel and chemicals from non-renewable and from solar radiation are emphasized with the aid of numerous quantitative examples. Whilst it is acknowledged that a key action in reducing the liberation of greenhouse gases (GHG) is to tackle the challenge of decreasing their evolution in power generation and in the production of steel, aluminium and other bulk commodities (metals, alloys, concrete and ceramics), nevertheless much can be done to diminish the emission of CO2 (and to use it as feedstock) through the agency of new, designed solid catalysts and microalgae. Solar-thermal converters are also attractive alternatives, even though they are more likely to be used centrally rather than in small modular units like 'artificial leaves,' some of which are promising for the purposes of generating energy (and perhaps fuel) in a delocalized, modular manner.

  13. Nighttime chemical evolution of aerosol and trace gases in a power plant plume: Implications for secondary organic nitrate and organosulfate aerosol formation, NO3 radical chemistry, and N2O5 heterogeneous hydrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Zaveri, R.A.; Kleinman, L.; Berkowitz, C. M.; Brechtel, F. J.; Gilles, M. K.; Hubbe, J. M.; Jayne, J. T.; Laskin, A.; Madronich, S.; Onasch, T. B.; Pekour, M. S.; Springston, S. R.; Thornton, J. A.; Tivanski, A. V.; Worsnop, D. R.

    2010-06-01

    Nighttime chemical evolution of aerosol and trace gases in a coal-fired power plant plume was monitored with the Department of Energy Grumman Gulfstream-1 aircraft during the 2002 New England Air Quality Study field campaign. Quasi-Lagrangian sampling in the plume at increasing downwind distances and processing times was guided by a constant-volume balloon that was released near the power plant at sunset. While no evidence of fly ash particles was found, concentrations of particulate organics, sulfate, and nitrate were higher in the plume than in the background air. The enhanced sulfate concentrations were attributed to direct emissions of gaseous H{sub 2}SO{sub 4}, some of which had formed new particles as evidenced by enhanced concentrations of nucleation-mode particles in the plume. The aerosol species were internally mixed and the particles were acidic, suggesting that particulate nitrate was in the form of organic nitrate. The enhanced particulate organic and nitrate masses in the plume were inferred as secondary organic aerosol, which was possibly formed from NO{sub 3} radical-initiated oxidation of isoprene and other trace organic gases in the presence of acidic sulfate particles. Microspectroscopic analysis of particle samples suggested that some sulfate was in the form of organosulfates. Microspectroscopy also revealed the presence of sp{sup 2} hybridized C = C bonds, which decreased with increasing processing time in the plume, possibly because of heterogeneous chemistry on particulate organics. Constrained plume modeling analysis of the aircraft and tetroon observations showed that heterogeneous hydrolysis of N{sub 2}O{sub 5} was negligibly slow. These results have significant implications for several issues related to the impacts of power plant emissions on air quality and climate.

  14. Analysis of microtomographic images of porous heterogeneous materials

    OpenAIRE

    Turpeinen, Tuomas

    2015-01-01

    In this work, we study the phases of image processing chain of microtomographic imag- ing in order to obtain reliable results while optimizing the time spent on denoising and segmentation. We consider that the decisions made at the early phases of the processing chain are most important and the selection made there essentially determine the overall quality of imaging process. We also compare here various denoising method qualita- tively, however, we think that the pure noise re...

  15. Coupling genetic and chemical microbiome profiling reveals heterogeneity of archaeome and bacteriome in subsurface biofilms that are dominated by the same archaeal species.

    Directory of Open Access Journals (Sweden)

    Alexander J Probst

    Full Text Available Earth harbors an enormous portion of subsurface microbial life, whose microbiome flux across geographical locations remains mainly unexplored due to difficult access to samples. Here, we investigated the microbiome relatedness of subsurface biofilms of two sulfidic springs in southeast Germany that have similar physical and chemical parameters and are fed by one deep groundwater current. Due to their unique hydrogeological setting these springs provide accessible windows to subsurface biofilms dominated by the same uncultivated archaeal species, called SM1 Euryarchaeon. Comparative analysis of infrared imaging spectra demonstrated great variations in archaeal membrane composition between biofilms of the two springs, suggesting different SM1 euryarchaeal strains of the same species at both aquifer outlets. This strain variation was supported by ultrastructural and metagenomic analyses of the archaeal biofilms, which included intergenic spacer region sequencing of the rRNA gene operon. At 16S rRNA gene level, PhyloChip G3 DNA microarray detected similar biofilm communities for archaea, but site-specific communities for bacteria. Both biofilms showed an enrichment of different deltaproteobacterial operational taxonomic units, whose families were, however, congruent as were their lipid spectra. Consequently, the function of the major proportion of the bacteriome appeared to be conserved across the geographic locations studied, which was confirmed by dsrB-directed quantitative PCR. Consequently, microbiome differences of these subsurface biofilms exist at subtle nuances for archaea (strain level variation and at higher taxonomic levels for predominant bacteria without a substantial perturbation in bacteriome function. The results of this communication provide deep insight into the dynamics of subsurface microbial life and warrant its future investigation with regard to metabolic and genomic analyses.

  16. Sampling of Organic Solutes in Aqueous and Heterogeneous Environments Using Oscillating Excess Chemical Potentials in Grand Canonical-like Monte Carlo-Molecular Dynamics Simulations.

    Science.gov (United States)

    Lakkaraju, Sirish Kaushik; Raman, E Prabhu; Yu, Wenbo; MacKerell, Alexander D

    2014-06-10

    Solute sampling of explicit bulk-phase aqueous environments in grand canonical (GC) ensemble simulations suffer from poor convergence due to low insertion probabilities of the solutes. To address this, we developed an iterative procedure involving Grand Canonical-like Monte Carlo (GCMC) and molecular dynamics (MD) simulations. Each iteration involves GCMC of both the solutes and water followed by MD, with the excess chemical potential (μex) of both the solute and the water oscillated to attain their target concentrations in the simulation system. By periodically varying the μex of the water and solutes over the GCMC-MD iterations, solute exchange probabilities and the spatial distributions of the solutes improved. The utility of the oscillating-μex GCMC-MD method is indicated by its ability to approximate the hydration free energy (HFE) of the individual solutes in aqueous solution as well as in dilute aqueous mixtures of multiple solutes. For seven organic solutes: benzene, propane, acetaldehyde, methanol, formamide, acetate, and methylammonium, the average μex of the solutes and the water converged close to their respective HFEs in both 1 M standard state and dilute aqueous mixture systems. The oscillating-μex GCMC methodology is also able to drive solute sampling in proteins in aqueous environments as shown using the occluded binding pocket of the T4 lysozyme L99A mutant as a model system. The approach was shown to satisfactorily reproduce the free energy of binding of benzene as well as sample the functional group requirements of the occluded pocket consistent with the crystal structures of known ligands bound to the L99A mutant as well as their relative binding affinities.

  17. Multiple Tracer Tests in Porous Media During Clogging

    Science.gov (United States)

    Englert, A.; Banning, A.; Siegmund, J.; Freye, S.; Goekpinar, T.

    2015-12-01

    Transport processes are known to be governed by the physical and chemical heterogeneity of the subsurface. Clogging processes can alter this heterogeneity as function of time and thus can modify transport. To understand transport under clogging conditions and to unravel the potential of multiple tracer tests to characterize such transport process we perform column and sandbox experiments. Our recently developed column and sandbox experiments are used to perform multiple tracer tests during clogging. In a first set of experiments, a cubic cell of 0.1 m x 0.1 m x 0.1 m is used to experimentally estimate flow and transport characteristics of an unconsolidated sediment through Darcy and tracer experiments. The water streaming through the experiment is amended with ammonium sulfate permanently. Salt tracers are added to the streaming water repeatedly, to be detected at micro electrodes at the inflow and the outflow of the cubic cell. Through repeated syringe injections of a barium chloride solution into the center of the cubic cell clogging processes are forced to occur around the mixing zone of the injected and streaming water by precipitation of barium sulfate. In a second set of experiments, a sandbox model including a sediment body of 0.3 m x 0.3 m x 0.1 m is used. Tracer, streaming, and injection water chemistry is kept similar to the cubic cell experiments. However, tracer breakthrough is now detected at nine positions within the experiment and at the inflow and the outflow of the sandbox model. Injection of barium chloride solution is now at two locations around the center of the sandbox model. Flow and transport characteristics of the sediment body are estimated based on Darcy and tracer experiments, which are performed repeatedly. Combined analysis of local and ensemble breakthrough curves and integrated numerical modeling will be used to understand effective and local flow and transport in a in a porous medium during clogging.

  18. Miscible, porous media displacements with density stratification.

    Science.gov (United States)

    Riaz, Amir; Meiburg, Eckart

    2004-11-01

    High accuracy, three-dimensional numerical simulations of miscible displacements with gravity override, in both homogeneous and heterogeneous porous media, are discussed for the quarter five-spot configuration. The influence of viscous and gravitational effects on the overall displacement dynamics is described in terms of the vorticity variable. Density differences influence the flow primarily by establishing a narrow gravity layer, in which the effective Peclet number is enhanced due to the higher flow rate. Although this effect plays a dominant role in homogeneous flows, it is suppressed to some extent in heterogeneous displacements. This is a result of coupling between the viscous and permeability vorticity fields. When the viscous wavelength is much larger than the permeability wavelength, gravity override becomes more effective because coupling between the viscous and permeability vorticity fields is less pronounced. Buoyancy forces of a certain magnitude can lead to a pinch-off of the gravity layer, thereby slowing it down.

  19. Heterogeneous Au-Pt nanostructures with enhanced catalytic activity toward oxygen reduction.

    Science.gov (United States)

    Ye, Feng; Liu, Hui; Hu, Weiwei; Zhong, Junyu; Chen, Yingying; Cao, Hongbin; Yang, Jun

    2012-03-14

    Heterogeneous Au-Pt nanostructures have been synthesized using a sacrificial template-based approach. Typically, monodispersed Au nanoparticles are prepared first, followed by Ag coating to form core-shell Au-Ag nanoparticles. Next, the galvanic replacement reaction between Ag shells and an aqueous H(2)PtCl(6) solution, whose chemical reaction can be described as 4Ag + PtCl(6)(2-)→ Pt + 4AgCl + 2Cl(-), is carried out at room temperature. Pure Ag shell is transformed into a shell made of Ag/Pt alloy by galvanic replacement. The AgCl formed simultaneously roughens the surface of alloy Ag-Pt shells, which can be manipulated to create a porous Pt surface for oxygen reduction reaction. Finally, Ag and AgCl are removed from core-shell Au-Ag/Pt nanoparticles using bis(p-sulfonatophenyl)phenylphosphane dihydrate dipotassium salt to produce heterogeneous Au-Pt nanostructures. The heterogeneous Au-Pt nanostructures have displayed superior catalytic activity towards oxygen reduction in direct methanol fuel cells because of the electronic coupling effect between the inner-placed Au core and the Pt shell.

  20. Neural Approach for Calculating Permeability of Porous Medium

    Institute of Scientific and Technical Information of China (English)

    ZHANG Ji-Cheng; LIU Li; SONG Kao-Ping

    2006-01-01

    @@ Permeability is one of the most important properties of porous media. It is considerably difficult to calculate reservoir permeability precisely by using single well-logging response and simple formula because reservoir is of serious heterogeneity, and well-logging response curves are badly affected by many complicated factors underground. We propose a neural network method to calculate permeability of porous media. By improving the algorithm of the back-propagation neural network, convergence speed is enhanced and better results can be achieved. A four-layer back-propagation network is constructed to effectively calculate permeability from well log data.

  1. Porous multi-component material for the capture and separation of species of interest

    Energy Technology Data Exchange (ETDEWEB)

    Addleman, Raymond S.; Chouyyok, Wilaiwan; Li, Xiaohong S.; Cinson, Anthony D.; Gerasimenko, Aleksandr A

    2016-06-21

    A method and porous multi-component material for the capture, separation or chemical reaction of a species of interest is disclosed. The porous multi-component material includes a substrate and a composite thin film. The composite thin film is formed by combining a porous polymer with a nanostructured material. The nanostructured material may include a surface chemistry for the capture of chemicals or particles. The composite thin film is coupled to the support or device surface. The method and material provides a simple, fast, and chemically and physically benign way to integrate nanostructured materials into devices while preserving their chemical activity.

  2. Nanoscale porosity in pigments for chemical sensing

    OpenAIRE

    Kemling, Jonathan W.; Suslick, Kenneth S.

    2011-01-01

    Porous pigments in which chemically responsive dyes have been immobilized in a matrix of organically modified siloxanes (ormosils) have been prepared and characterized by AFM, TEM, EDS, and optical analysis. In typical chemical sensing applications, an array of 36 different porous ormosil pigments are deposited on polyethylene terephthalate (PET) film.

  3. Nanoscale porosity in pigments for chemical sensing.

    Science.gov (United States)

    Kemling, Jonathan W; Suslick, Kenneth S

    2011-05-01

    Porous pigments in which chemically responsive dyes have been immobilized in a matrix of organically modified siloxanes (ormosils) have been prepared and characterized by AFM, TEM, EDS, and optical analysis. In typical chemical sensing applications, an array of 36 different porous ormosil pigments are deposited on polyethylene terephthalate (PET) film.

  4. Finite volume hydromechanical simulation in porous media.

    Science.gov (United States)

    Nordbotten, Jan Martin

    2014-05-01

    Cell-centered finite volume methods are prevailing in numerical simulation of flow in porous media. However, due to the lack of cell-centered finite volume methods for mechanics, coupled flow and deformation is usually treated either by coupled finite-volume-finite element discretizations, or within a finite element setting. The former approach is unfavorable as it introduces two separate grid structures, while the latter approach loses the advantages of finite volume methods for the flow equation. Recently, we proposed a cell-centered finite volume method for elasticity. Herein, we explore the applicability of this novel method to provide a compatible finite volume discretization for coupled hydromechanic flows in porous media. We detail in particular the issue of coupling terms, and show how this is naturally handled. Furthermore, we observe how the cell-centered finite volume framework naturally allows for modeling fractured and fracturing porous media through internal boundary conditions. We support the discussion with a set of numerical examples: the convergence properties of the coupled scheme are first investigated; second, we illustrate the practical applicability of the method both for fractured and heterogeneous media.

  5. Enhancing nZVI mobility in porous media using humate

    Science.gov (United States)

    Schmid, Doris; Micic Batka, Vesna; Gondikas, Andreas; Velimirovic, Milica; von der Kammer, Frank; Hofmann, Thilo

    2016-04-01

    The limited transport of nanoscale zero-valent iron (nZVI) particles in porous media is a major drawback for its use in groundwater remediation. Among other factors, transport of nZVI particles might be negatively affected by mineralogical and physical heterogeneities of the aquifer matrix. Carbonate minerals and iron oxides, for instance, provide positively charged patches which would further increase particle attachment to the sand grains. This study does assess the potential of sodium humate, a salt of humic acids, to enhance the mobility of nZVI particles. Humate is a non-toxic, inexpensive material extracted from natural oxidized lignite and obtained in commercial grade, which makes it advantageous for field applications. Humate is expected to shield the positively charged patches of the sand grains and consequently enhance nZVI mobility in porous media. In this study the humate was injected into an aquifer prior to injection of the nZVI particles. The potential of humate for enhancing the mobility of nZVI particles was tested in an array of columns packed with heterogeneous natural porous media of different mineralogical composition and sediment texture. The results demonstrated that without pre-injection of humates only limited mobility of nZVI particles can be obtained in all tested porous media. After the pre-injection of low concentration of humate (10 mg/L) the mobility of nZVI particles (1 g/L) was enhanced in all tested porous media. The magnitude of this enhancement was depended on the properties of the porous media. The largest improvement of nZVI mobility was observed for homogeneous quartz. This material had also the highest porosity (~ 40%), good sorting, and therefore a higher permeability compared to the other porous media tested. It is assumed that the higher permeability of this porous medium allowed an optimal distribution of humate, resulting in an approximately 6-fold enhancement of nZVI mobility. In carbonate-rich porous medium with a

  6. Porous block nanofiber composite filters

    Energy Technology Data Exchange (ETDEWEB)

    Ginley, David S.; Curtis, Calvin J.; Miedaner, Alexander; Weiss, Alan J.; Paddock, Arnold

    2016-08-09

    Porous block nano-fiber composite (110), a filtration system (10) and methods of using the same are disclosed. An exemplary porous block nano-fiber composite (110) includes a porous block (100) having one or more pores (200). The porous block nano-fiber composite (110) also includes a plurality of inorganic nano-fibers (211) formed within at least one of the pores (200).

  7. Porous silicon gettering

    Energy Technology Data Exchange (ETDEWEB)

    Tsuo, Y.S.; Menna, P.; Pitts, J.R. [National Renewable Energy Lab., Golden, CO (United States)] [and others

    1996-05-01

    The authors have studied a novel extrinsic gettering method that uses the large surface areas produced by a porous-silicon etch as gettering sites. The annealing step of the gettering used a high-flux solar furnace. They found that a high density of photons during annealing enhanced the impurity diffusion to the gettering sites. The authors used metallurgical-grade Si (MG-Si) prepared by directional solidification casing as the starting material. They propose to use porous-silicon-gettered MG-Si as a low-cost epitaxial substrate for polycrystalline silicon thin-film growth.

  8. Theory of porous media - past and present

    Energy Technology Data Exchange (ETDEWEB)

    Boer, R. de [Essen Univ. (Germany). Inst. fuer Mechanik

    1998-10-01

    Porous solids filled with liquid or gas play an important role in engineering, e.g., in material science, petroleum industry, chemical engineering, and soil mechanics as well as in biomechanics. Although porous media are of considerable practical significance the description of their mechanical and thermodynamical behavior has been unsatisfactory for a long time. The theory to describe the complex thermodynamical behavior of such saturated porous solids has come to certain well-founded conclusions only recently. It is the goal of this paper to show the historical development of the porous media theory, which already started in the eighteenth century, formed in some areas by polemic disputes and tragic events in the lifes of the scientists involved. Furthermore, the current state of the research into this subject is discussed, whereby the state of the development of the material independent basic equations and the constitutive theory is illustrated. For a certain class of models general theorems, such as minimum and maximum problems, are derived and the uniqueness of solutions of boundary value problems is proved. (orig.)

  9. Understanding generalized inversions of nuclear magnetic resonance transverse relaxation time in porous media

    Science.gov (United States)

    Mitchell, J.; Chandrasekera, T. C.

    2014-12-01

    The nuclear magnetic resonance transverse relaxation time T2, measured using the Carr-Purcell-Meiboom-Gill (CPMG) experiment, is a powerful method for obtaining unique information on liquids confined in porous media. Furthermore, T2 provides structural information on the porous material itself and has many applications in petrophysics, biophysics, and chemical engineering. Robust interpretation of T2 distributions demands appropriate processing of the measured data since T2 is influenced by diffusion through magnetic field inhomogeneities occurring at the pore scale, caused by the liquid/solid susceptibility contrast. Previously, we introduced a generic model for the diffusion exponent of the form -ant_e^k (where n is the number and te the temporal separation of spin echoes, and a is a composite diffusion parameter) in order to distinguish the influence of relaxation and diffusion in CPMG data. Here, we improve the analysis by introducing an automatic search for the optimum power k that best describes the diffusion behavior. This automated method is more efficient than the manual trial-and-error grid search adopted previously, and avoids variability through subjective judgments of experimentalists. Although our method does not avoid the inherent assumption that the diffusion exponent depends on a single k value, we show through simulation and experiment that it is robust in measurements of heterogeneous systems that violate this assumption. In this way, we obtain quantitative T2 distributions from complicated porous structures and demonstrate the analysis with examples of ceramics used for filtration and catalysis, and limestone of relevance to the construction and petroleum industries.

  10. Understanding generalized inversions of nuclear magnetic resonance transverse relaxation time in porous media

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, J., E-mail: JMitchell16@slb.com [Schlumberger Gould Research, High Cross, Madingley Road, Cambridge CB3 0EL (United Kingdom); Chandrasekera, T. C. [Department of Chemical Engineering and Biotechnology, University of Cambridge, Pembroke Street, Cambridge CB2 3RA (United Kingdom)

    2014-12-14

    The nuclear magnetic resonance transverse relaxation time T{sub 2}, measured using the Carr-Purcell-Meiboom-Gill (CPMG) experiment, is a powerful method for obtaining unique information on liquids confined in porous media. Furthermore, T{sub 2} provides structural information on the porous material itself and has many applications in petrophysics, biophysics, and chemical engineering. Robust interpretation of T{sub 2} distributions demands appropriate processing of the measured data since T{sub 2} is influenced by diffusion through magnetic field inhomogeneities occurring at the pore scale, caused by the liquid/solid susceptibility contrast. Previously, we introduced a generic model for the diffusion exponent of the form −ant{sub e}{sup k} (where n is the number and t{sub e} the temporal separation of spin echoes, and a is a composite diffusion parameter) in order to distinguish the influence of relaxation and diffusion in CPMG data. Here, we improve the analysis by introducing an automatic search for the optimum power k that best describes the diffusion behavior. This automated method is more efficient than the manual trial-and-error grid search adopted previously, and avoids variability through subjective judgments of experimentalists. Although our method does not avoid the inherent assumption that the diffusion exponent depends on a single k value, we show through simulation and experiment that it is robust in measurements of heterogeneous systems that violate this assumption. In this way, we obtain quantitative T{sub 2} distributions from complicated porous structures and demonstrate the analysis with examples of ceramics used for filtration and catalysis, and limestone of relevance to the construction and petroleum industries.

  11. Study on Porous Silicon with P-N Junction Sensor for Humidity Measurement

    Institute of Scientific and Technical Information of China (English)

    Chuzhe Tu; Zhenhong Jia

    2006-01-01

    Porous materials used for humidity sensing have been commercialized. In this paper, the preparation and humidity sensing characteristics of porous silicon with P-N junctions (PNJPS) are studied. PNJPS is made by electro-chemical anodic etched method from silicon wafers with P-N junctions. Its porous structure is verified by scanning electronic micrograph.Experiments also show that PNJPS has high sensitivity, short response time (less than 30 seconds), and long-term stability.

  12. A review of some recently proposed modeling paradigms for the sorption of hydrophobic organic chemicals to heterogeneous carbonaceous matter in soils, sediments, and rocks -- the role of thermally altered carbon

    Science.gov (United States)

    Ball, W. P.; Allen-King, R. M.; Grathwohl, P.; Nguyen, T. H.; Brown, R. A.

    2003-04-01

    Heterogeneity of naturally occurring carbonaceous materials (CMs) in soils, sediments, and rocks causes the sorption of hydrophobic organic chemicals (HOCs) to occur as a combination of surface adsorption and phase partitioning, with the latter typically more linearly dependent on aqueous concentration. In particular, thermally altered CMs (such as wood char, soots, coals, and kerogen) are widespread in the environment and can serve as an important sorbents even when present in small quantities (especially at low concentrations of adsorbates). In this context, recent literature has presented models to simulate HOC sorption as the combined effect of adsorption to thermally altered CM and a more linear solvation-driven absorption into gel-like organic matter. We describe different forms of thermally altered CM, the manner in which these materials can serve as especially strong adsorbents, and the conditions under which they can control solid-aqueous distribution. Individual study with some well-characterized chars, coals, and soots have been conducted in our laboratories and provide some clear indications of the potential role of these materials in affecting overall contaminant uptake. Additionally, some specific examples of model fits to soil, sediment and rock samples with identified thermally altered CM components provide a linkage between such sorption components and sorbent material properties. Because both the adsorption and partition components are scalable by compound solubility, it may often be possible to provide estimates of nonlinear isotherms for a wide range of chemicals based on comparatively few experimental measurements using probe chemical sorbates. Although such a limited experimental study is not expected to provide a precise accounting of all aspects of adsorption and partitioning, we maintain that it will be clearly preferable to an a priori assumption of linear phase partitioning, and particularly so if enough information can be generated to

  13. Porous cellulose spheres: Preparation, modification and adsorption properties.

    Science.gov (United States)

    Ma, Xiaofei; Liu, Congzhi; Anderson, Debbie P; Chang, Peter R

    2016-12-01

    Porous cellulose spheres (PCS) were fabricated by precipitating the spheres from a cellulose ionic liquid solution, followed by freezing, solvent exchange, and drying. PCS had low crystallinity and a large surface area that facilitated modification with trisodium trimetaphosphate (STMP) to introduce phosphate ester groups into the porous structure of the heterogeneous system. The STMP-modified PCS (SPCS) were used to remove heavy metal ions from aqueous solution. With increasing STMP dosage, the adsorption capacity of SPCS obviously improved due to chelation between Pb(2+) and phosphate ester groups. The kinetic adsorption and isotherm data matched the pseudo-second order model and the Langmuir model well. The maximum adsorption capacity reached 150.6 mg g(-1) for SPCS. SPCS were competitive with other absorbents because the phosphate ester groups and porous structure contributed to Pb(2+) adsorption. Moreover, SPCS can be regenerated with ethylenediamine tetraacetic acid disodium salt (EDTA) solution for repetitious adsorption of Pb(2+).

  14. A volume-balance model for flow on porous media

    Science.gov (United States)

    Malaga, Carlos; Mandujano, Francisco; Becerra, Julian

    2015-11-01

    Volume-balance models are used by petroleum engineers for simulating multiphase and multicomponent flow phenomena in porous media and the extraction process in oil reservoirs. In these models, mass conservation equations and Darcy's law are supplemented by a balance condition for the pore and fluid volumes. This provides a pressure equation suitable for simulating a compressible flow within a compressible solid matrix. Here we present an alternative interpretation of the volume-balance condition that includes the advective transport within a consolidated porous media. We obtain a modified equation for the time evolution of the pressure field. Numerical tests for phase separation under gravity are presented for multiphase three dimensional flow in heterogeneous porous media. The authors acknowledge funding from Fondo Sectorial CONACYT-SENER grant number 42536 (DGAJ-SPI-34-170412-217).

  15. Simple method to generate and fabricate stochastic porous scaffolds

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Nan, E-mail: y79nzw@163.com; Gao, Lilan; Zhou, Kuntao

    2015-11-01

    Considerable effort has been made to generate regular porous structures (RPSs) using function-based methods, although little effort has been made for constructing stochastic porous structures (SPSs) using the same methods. In this short communication, we propose a straightforward method for SPS construction that is simple in terms of methodology and the operations used. Using our method, we can obtain a SPS with functionally graded, heterogeneous and interconnected pores, target pore size and porosity distributions, which are useful for applications in tissue engineering. The resulting SPS models can be directly fabricated using additive manufacturing (AM) techniques. - Highlights: • Random porous structures are constructed based on their regular counterparts. • Functionally graded random pores can be constructed easily. • The scaffolds can be directly fabricated using additive manufacturing techniques.

  16. Proper Use of Capillary Number in Chemical Flooding

    Directory of Open Access Journals (Sweden)

    Hu Guo

    2017-01-01

    Full Text Available Capillary number theory is very important for chemical flooding enhanced oil recovery. The difference between microscopic capillary number and the microscopic one is easy to confuse. After decades of development, great progress has been made in capillary number theory and it has important but sometimes incorrect application in EOR. The capillary number theory was based on capillary tube bundles and Darcy’s law hypothesis, and this should always be kept in mind when used in chemical flooding EOR. The flow in low permeability porous media often shows obvious non-Darcy effects, which is beyond Darcy’s law. Experiments data from ASP flooding and SP flooding showed that remaining oil saturation was not always decreasing as capillary number kept on increasing. Relative permeability was proved function of capillary number; its rate dependence was affected by capillary end effects. The mobility control should be given priority rather than lowering IFT. The displacement efficiency was not increased as displacement velocity increased as expected in heavy oil chemical flooding. Largest capillary number does not always make highest recovery in chemical flooding in heterogeneous reservoir. Misuse of CDC in EOR included the ignorance of mobility ratio, Darcy linear flow hypothesis, difference between microscopic capillary number and the microscopic one, and heterogeneity caused flow regime alteration. Displacement of continuous oil or remobilization of discontinuous oil was quite different.

  17. Mass Transfer and Porous Media (MTPM)

    Energy Technology Data Exchange (ETDEWEB)

    Rotenberg, B.; Marry, V.; Malikova, N.; Vuilleumier, R.; Giffaut, E.; Turq, P.; Robinet, J.C.; Diaz, N.; Sardini, P.; Goutelard, F.; Menut, D.; Parneix, J.C.; Sammartino, S.; Pret, D.; Coelho, D.; Jougnot, D.; Revil, A.; Boulin, P.F.; Angulo-Jaramillo, R.; Daian, J.F.; Talandier, J.; Berne, P.; Cochepin, B.; Trotignon, L.; Bildstein, O.; Steefel, C.; Lagneau, V.; Van der Lee, J.; Birchall, D.J.; Harrington, J.F.; Noy, D.J.; Sellin, P.; Bildstein, O.; Piault, E.; Trotignon, L.; Montarnal, P.; Deville, E.; Genty, A.; Le Potier, C.; Imbert, C.; Semete, P.; Desgree, P.; Fevrier, B.; Courtois, A.; Touze, G.; Sboui, A.; Roberts, J.E.; Jaffre, J.; Glaus, M.A.; Rosse, R.; Van Loon, L.R.; Matray, J.M.; Parneix, J.C.; Tinseau, E.; Pret, D.; Mayor, J.C.; Ohkubo, T.; Kikuchi, H.; Yamaguchi, M.; Alonso, U.; Missana, T.; Garcia-Gutierrez, M.; Patelli, A.; Siitari-Kauppi, M.; Leskinen, A.; Rigato, V.; Samper, J.; Dewonck, S.; Zheng, L.; Yang, Q.; Naves, A.; Dai, Z.; Samper, J.; Wolfsberg, A.; Levitt, D.; Cormenzana, J.L.; Missana, T.; Mingarro, M.; Schampera, B.; Dultz, S.; Riebe, B.; Samper, J.; Yang, Q.; Genty, A.; Perraud, D.; Poller, A.; Mayer, G.; Croise, J.; Marschall, P.; Krooss, B.; Matray, J.M.; Tanaka, T.; Vogel, P.; Lavanchy, J.M.; Enssle, C.P.; Cruchaudet, M.; Dewonck, S.; Descostes, M.; Blin, V.; Radwan, J.; Poinssot, C.; Mibus, J.; Sachs, S.; Devol-Brown, I.; Motellier, S.; Tinseau, E.; Thoby, D.; Marsal, F.; DeWindt, L.; Tinseau, E.; Pellegrini, D.; Bauer, A.; Fiehn, B.; Marquardt, Ch.; Romer, J.; Gortzen, A.; Kienzler, B

    2007-07-01

    This session gathers 48 articles (posters) dealing with: interlayer / micro-pore exchange of water and ions in clays: a molecular dynamics study; the multi-scale characterisation of mineral and textural spatial heterogeneities in Callovo-Oxfordian argilite and its consequence on solute species diffusion modelling; the diffusion of ions in unsaturated clay rocks: Theory and application to the Callovo- Oxfordian argillite; the porous media characterization with respect to gas transfer in Callovo Oxfordian argillite; the predictions on a 2-D cementation experiment in porous medium: intercomparison on the Comedie project; the large-scale gas injection test (LASGIT) at the Aespoe hard rock laboratory in Sweden; simulating the geochemical coupling between vitrified waste, canister and near-field on the alliances platform; toward radionuclide transport calculations on whole radioactive waste disposal with CAST3M platform; the experimental study of the water permeability of a partially saturated argillite; a mixed hexahedral finite elements for Darcy flow calculation in clay porous media; the diffusive properties of stainless steel filter discs before and after use in diffusion experiments with compacted clays; the structural organization of porosity in the Opalinus clay at the Mont Terri Rock Laboratory under saturated and unsaturated conditions; the evaluation of pore structure in compacted saturated Bentonite using NMR relaxometry; diffusion coefficients measurement in consolidated clays: a combination of micro-scale profiling and solid pore structure analyses; the numerical interpretation of in-situ DIR diffusion experiments on the Callovo- Oxfordian clay at the Meuse/Haute-Marne URL the identification of relative conductivity models for water flow and solute transport in unsaturated compacted Bentonite; diffusion experiments in Callovo- Oxfordian clay from the Meuse/Haute-Marne URL, France: experimental setup and data analyses; the transport in organo

  18. Hydrophobic, Porous Battery Boxes

    Science.gov (United States)

    Bragg, Bobby J.; Casey, John E., Jr.

    1995-01-01

    Boxes made of porous, hydrophobic polymers developed to contain aqueous potassium hydroxide electrolyte solutions of zinc/air batteries while allowing air to diffuse in as needed for operation. Used on other types of batteries for in-cabin use in which electrolytes aqueous and from which gases generated during operation must be vented without allowing electrolytes to leak out.

  19. Chemical heterogeneity of tomato inbred lines

    Directory of Open Access Journals (Sweden)

    Tepić Aleksandra N.

    2006-01-01

    Full Text Available Compositional characteristics of seven lines of tomatoes have been determined. The following parameters were evaluated: dry matter, acidity (citric acid equivalent, Ca-pectate, ash, cellulose, sugars (total, reducing sugars, sucrose, mineral substances (N, P, K, Ca, Na, surface color and carotenoid content. From a compositional viewpoint, there were no significant differences between lines, but in cellulose, sucrose, mineral substances, carotenoid content, and surface colour parameters, a*, b*, L and h°. .

  20. Optical measurements of chemically heterogeneous particulate surfaces

    Science.gov (United States)

    Zubko, Nataliya; Gritsevich, Maria; Zubko, Evgenij; Hakala, Teemu; Peltoniemi, Jouni I.

    2016-07-01

    We experimentally study light scattering by particulate surfaces consisting of two high-contrast materials. Using the Finnish Geodetic Institute field goniospectropolarimeter, reflectance and degree of linear polarization are measured in dark volcanic sand, bright salt (NaCl) and bright ferric sulfate (Fe2(SO4)3); and in mixtures of bright and dark components. We found that the light-scattering response monotonically changes with volume ratio of dark and bright components. In contrast to previous finding, we do not detect an enhancement of the negative polarization amplitude in two-component high-contrast mixtures. Two-component mixtures reveal an inverse correlation between maximum of their linear polarization and reflectance near backscattering, the so-called Umov effect. In log-log scales this inverse correlation takes a linear form for the dark and moderate-dark samples, while for the brightest samples there is a noticeable deviation from the linear trend.

  1. Fabrication of interfacial functionalized porous polymer monolith and its adsorption properties of copper ions

    Energy Technology Data Exchange (ETDEWEB)

    Han, Jiaxi; Du, Zhongjie; Zou, Wei; Li, Hangquan; Zhang, Chen, E-mail: zhangch@mail.buct.edu.cn

    2014-07-15

    Highlights: • Interface functionalized PGMA porous monolith was fabricated. • The adsorption capacity of Cu{sup 2+} was 35.3 mg/g. • The effects of porous structure on the adsorption of Cu{sup 2+} were studied. • The adsorption behaviors of porous monolith were studied. - Abstract: The interfacial functionalized poly (glycidyl methacrylate) (PGMA) porous monolith was fabricated and applied as a novel porous adsorbent for copper ions (Cu{sup 2+}). PGMA porous material with highly interconnected pore network was prepared by concentrated emulsion polymerization template. Then polyacrylic acid (PAA) was grafted onto the interface of the porous monolith by the reaction between the epoxy group on PGMA and a carboxyl group on PAA. Finally, the porous monolith was interfacial functionalized by rich amount of carboxyl groups and could adsorb copper ions effectively. The chemical structure and porous morphology of the porous monolith were measured by Fourier transform infrared spectroscopy and scanning electron microscopy. Moreover, the effects of pore size distribution, pH value, co-existing ions, contacting time, and initial concentrations of copper ions on the adsorption capacity of the porous adsorbents were studied.

  2. Modification of chemical and physical factors in steamflood to increase heavy oil recovery. Annual report, October 1, 1992--September 30, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Yortsos, Y.C.

    1994-10-01

    Thermal methods, and particularly steam injection, are currently recognized as the most promising for the efficient recovery of heavy oil. Despite significant progress, however, important technical issues remain open. Specifically, still inadequate is our knowledge of the complex interaction between porous media and the various fluids of thermal recovery (steam, water, heavy oil, gases, and chemicals). While, the interplay of heat transfer and fluid flow with pore- and macro-scale heterogeneity is largely unexplored. Objectives of this work contract are to carry out new studies in the following areas: displacement and flow properties of fluids involving phase change in porous media; flow properties of mobility control fluids (such as foam); and the effect of reservoir heterogeneity on thermal recovery. Specific projects address the need to improve heavy oil recovery from typical reservoirs as well as less conventional fractured reservoirs producing from vertical or horizontal wells. In the area of vapor-liquid flow, we present the continuation of work on the pore network modeling of bubble growth in porous media driven by the application of a prescribed heat flux or superheat. The scaling of bubble growth in porous media is also discussed. In another study we study the problem of steam injection in fractured systems using visualization in micromodels. The interplay of drainage, imbibition and bubble growth problems is discussed.

  3. Spatial distribution of jet fuel in the vadoze zone of a heterogeneous and fractured soil.

    Science.gov (United States)

    Tzovolou, D N; Benoit, Y; Haeseler, F; Klint, K E; Tsakiroglou, C D

    2009-04-01

    The goal of the present work is to screen and evaluate all available data before selecting and testing remediation technologies on heterogeneous soils polluted by jet fuel. The migration pathways of non-aqueous phase liquids (NAPLs) in the subsurface relate closely with soil properties. A case study is performed on the vadoze zone of a military airport of north-west Poland contaminated by jet fuel. Soil samples are collected from various depths of two cells, and on-site and off-site chemical analyses of hydrocarbons are conducted by using Pollut Eval apparatus and GC-MS, respectively. The geological conceptual model of the site along with microscopic and hydraulic properties of the porous matrix and fractures enable us to interpret the non-uniform spatial distribution of jet fuel constituents. The total concentration of the jet fuel and its main hydrocarbon families (n-paraffins, major aromatics) over the two cells is governed by the slow preferential flow of NAPL through the porous matrix, the rapid NAPL convective flow through vertical desiccation and sub-horizontal glaciotectonic fractures, and n-paraffin biodegradation in upper layers where the rates of oxygen transfer is not limited by complexities of the pore structure. The information collected is valuable for the selection, implementation and evaluation of two in situ remediation methods.

  4. Controlled synthesis of porous platinum nanostructures for catalytic applications.

    Science.gov (United States)

    Cao, Yanqin; Zhang, Junwei; Yang, Yong; Huang, Zhengren; Long, Nguyen Viet; Nogami, Masayuki

    2014-02-01

    Porous platinum, that has outstanding catalytic and electrical properties and superior resistant characteristics to corrosion, has been widely applied in chemical, petrochemical, pharmaceutical, electronic, and automotive industries. As the catalytic activity and selectivity depend on the size, shape and structure of nanomaterials, the strategies for controlling these factors of platinum nanomaterials to get excellent catalytic properties are discussed. Here, recent advances in the design and preparation of various porous platinum nanostructures are reviewed, including wet-chemical synthesis, electro-deposition, galvanic replacement reaction and de-alloying technology. The applications of various platinum nanostructures are also discussed, especially in fuel cells.

  5. A colorimetric sensor array of porous pigments.

    Science.gov (United States)

    Lim, Sung H; Kemling, Jonathan W; Feng, Liang; Suslick, Kenneth S

    2009-12-01

    The development of a low-cost, simple colorimetric sensor array capable of the detection and identification of toxic gases is reported. This technology uses a disposable printed array of porous pigments in which metalloporphyrins and chemically-responsive dyes are immobilized in a porous matrix of organically modified siloxanes (ormosils) and printed on a porous membrane. The printing of the ormosil into the membrane is highly uniform and does not lessen the porosity of the membrane, as shown by scanning electron microscopy. When exposed to an analyte, these pigments undergo reactions that result in well-defined color changes due to strong chemical interactions: ligation to metal ions, Lewis or Brønsted acid-base interactions, hydrogen bonding, etc. Striking visual identification of 3 toxic gases has been shown at the IDLH (immediately dangerous to life and health) concentration, at the PEL (permissible exposure level), and at a level well below the PEL. Identification and quantification of analytes were achieved using the color change profiles, which were readily distinguishable in a hierarchical clustering analysis (HCA) dendrogram, with no misclassifications in 50 trials.

  6. Hydrogen storage by physisorption on porous materials

    Energy Technology Data Exchange (ETDEWEB)

    Panella, B.

    2006-09-13

    A great challenge for commercializing hydrogen powered vehicles is on-board hydrogen storage using economic and secure systems. A possible solution is hydrogen storage in light-weight solid materials. Here three principle storage mechanisms can be distinguished: i) absorption of hydrogen in metals ii) formation of compounds with ionic character, like complex hydrides and iii) physisorption (or physical adsorption) of hydrogen molecules on porous materials. Physical adsorption exhibits several advantages over chemical hydrogen storage as for example the complete reversibility and the fast kinetics. Two classes of porous materials were investigated for physical hydrogen storage, i.e. different carbon nanostructures and crystalline metal-organic frameworks possessing extremely high specific surface area. Hydrogen adsorption isotherms were measured using a Sieverts' apparatus both at room temperature and at 77 K at pressures up to the saturation regime. Additionally, the adsorption sites of hydrogen in these porous materials were identified using thermal desorption spectroscopy extended to very low temperatures (down to 20 K). Furthermore, the adsorbed hydrogen phase was studied in various materials using Raman spectroscopy at different pressures and temperatures. The results show that the maximum hydrogen storage capacity of porous materials correlates linearly with the specific surface area and is independent of structure and composition. In addition the pore structure of the adsorbent plays an important role for hydrogen storage since the adsorption sites for H2 could be assigned to pores possessing different dimensions. Accordingly it was shown that small pores are necessary to reach high storage capacities already at low pressures. This new understanding may help to tailor and optimize new porous materials for hydrogen storage. (orig.)

  7. Final Report - Montana State University - Microbial Activity and Precipitation at Solution-Solution Mixing Zones in Porous Media

    Energy Technology Data Exchange (ETDEWEB)

    Gerlach, Robin [Montana State University

    2014-10-31

    Background. The use of biological and chemical processes that degrade or immobilize contaminants in subsurface environments is a cornerstone of remediation technology. The enhancement of biological and chemical processes in situ, involves the transport, displacement, distribution and mixing of one or more reactive agents. Biological and chemical reactions all require diffusive transport of solutes to reaction sites at the molecular scale and accordingly, the success of processes at the meter-scale and larger is dictated by the success of phenomena that occur at the micron-scale. However, current understanding of scaling effects on the mixing and delivery of nutrients in biogeochemically dynamic porous media systems is limited, despite the limitations this imposes on the efficiency and effectiveness of the remediation challenges at hand. Objectives. We therefore proposed to experimentally characterize and computationally describe the growth, evolution, and distribution of microbial activity and mineral formation as well as changes in transport processes in porous media that receive two or more reactive amendments. The model system chosen for this project was based on a method for immobilizing 90Sr, which involves stimulating microbial urea hydrolysis with ensuing mineral precipitation (CaCO3), and co-precipitation of Sr. Studies at different laboratory scales were used to visualize and quantitatively describe the spatial relationships between amendment transport and consumption that stimulate the production of biomass and mineral phases that subsequently modify the permeability and heterogeneity of porous media. Biomass growth, activity, and mass deposition in mixing zones was investigated using two-dimensional micro-model flow cells as well as flow cells that could be analyzed using synchrotron-based x-ray tomography. Larger-scale flow-cell experiments were conducted where the spatial distribution of media properties, flow, segregation of biological activity and

  8. Nighttime chemical evolution of aerosol and trace gases in a power plant plume: Implications for secondary organic nitrate and organosulfate aerosol formation, NO₃ radical chemistry, and N₂O₅ heterogeneous hydrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Zaveri, Rahul A.; Berkowitz, Carl M.; Brechtel, Fred J.; Gilles, Marry K.; Hubbe, John M.; Jayne, J. T.; Kleinman, Lawrence I.; Laskin, Alexander; Madronich, Sasha; Onasch, Timothy B.; Pekour, Mikhail S.; Springston, Stephen R.; Thornton, Joel A.; Tivanski, Alexei V.; Worsnop, Douglas R.

    2010-06-22

    Chemical evolution of aerosols and trace gases in the Salem Harbor power plant plume was monitored with the DOE G-1 aircraft on the night of July 30-31, 2002. Quasi-Lagrangian sampling in the plume at increasing downwind distances/processing times was guided by a constant-volume tetroon that was released near the power plant at sunset. While no evidence of fly ash particles was found, concentrations of particulate organics, sulfate, and nitrate were higher in the plume than in the nearby background air. These species were internally mixed and the particles were acidic, suggesting that particulate nitrate was in the form of organic nitrate. The enhanced particulate organic and nitrate masses in the plume were inferred to be as secondary organic aerosol, possibly formed from the NO3 radical-initiated oxidation of isoprene and other trace organic gases in the presence of acidic sulfate particles. The enhanced particulate sulfate concentrations observed in the plume were attributed to direct emissions of gaseous SO3/H2SO4 from the power plant. Furthermore, concentration of nucleation mode particles was significantly higher in the plume than in background air, suggesting that some of the emitted H2SO4 had nucleated to form new particles. Spectromicroscopic analyses of particle samples suggested that some sulfate was likely in the form of organosulfates. Constrained Lagrangian model analysis of the aircraft and tetroon observations showed that heterogeneous hydrolysis of N2O5 was negligibly slow. These results have significant implications for several scientific and regulatory issues related to the impacts of power plant emissions on atmospheric chemistry, air quality, visibility, and climate.

  9. Network models of dissolution of porous media

    CERN Document Server

    Budek, Agnieszka

    2012-01-01

    We investigate the chemical dissolution of porous media using a network model in which the system is represented as a series of interconnected pipes with the diameter of each segment increasing in proportion to the local reactant consumption. Moreover, the topology of the network is allowed to change dynamically during the simulation: as the diameters of the eroding pores become comparable with the interpore distances, the pores are joined together thus changing the interconnections within the network. With this model, we investigate different growth regimes in an evolving porous medium, identifying the mechanisms responsible for the emergence of specific patterns. We consider both the random and regular network and study the effect of the network geometry on the patterns. Finally, we consider practically important problem of finding an optimum flow rate that gives a maximum increase in permeability for a given amount of reactant.

  10. Hydrodynamic dispersion within porous biofilms

    KAUST Repository

    Davit, Y.

    2013-01-23

    Many microorganisms live within surface-associated consortia, termed biofilms, that can form intricate porous structures interspersed with a network of fluid channels. In such systems, transport phenomena, including flow and advection, regulate various aspects of cell behavior by controlling nutrient supply, evacuation of waste products, and permeation of antimicrobial agents. This study presents multiscale analysis of solute transport in these porous biofilms. We start our analysis with a channel-scale description of mass transport and use the method of volume averaging to derive a set of homogenized equations at the biofilm-scale in the case where the width of the channels is significantly smaller than the thickness of the biofilm. We show that solute transport may be described via two coupled partial differential equations or telegrapher\\'s equations for the averaged concentrations. These models are particularly relevant for chemicals, such as some antimicrobial agents, that penetrate cell clusters very slowly. In most cases, especially for nutrients, solute penetration is faster, and transport can be described via an advection-dispersion equation. In this simpler case, the effective diffusion is characterized by a second-order tensor whose components depend on (1) the topology of the channels\\' network; (2) the solute\\'s diffusion coefficients in the fluid and the cell clusters; (3) hydrodynamic dispersion effects; and (4) an additional dispersion term intrinsic to the two-phase configuration. Although solute transport in biofilms is commonly thought to be diffusion dominated, this analysis shows that hydrodynamic dispersion effects may significantly contribute to transport. © 2013 American Physical Society.

  11. Porous Organic Polymers for CO2 Capture

    KAUST Repository

    Teng, Baiyang

    2013-05-01

    Carbon dioxide (CO2) has long been regarded as the major greenhouse gas, which leads to numerous negative effects on global environment. The capture and separation of CO2 by selective adsorption using porous materials proves to be an effective way to reduce the emission of CO2 to atmosphere. Porous organic polymers (POPs) are promising candidates for this application due to their readily tunable textual properties and surface functionalities. The objective of this thesis work is to develop new POPs with high CO2 adsorption capacities and CO2/N2 selectivities for post-combustion effluent (e.g. flue gas) treatment. We will also exploit the correlation between the CO2 capture performance of POPs and their textual properties/functionalities. Chapters Two focuses on the study of a group of porous phenolic-aldehyde polymers (PPAPs) synthesized by a catalyst-free method, the CO2 capture capacities of these PPAPs exceed 2.0 mmol/g at 298 K and 1 bar, while keeping CO2/N2 selectivity of more than 30 at the same time. Chapter Three reports the gas adsorption results of different hyper-cross-linked polymers (HCPs), which indicate that heterocyclo aromatic monomers can greatly enhance polymers’ CO2/N2 selectivities, and the N-H bond is proved to the active CO2 adsorption center in the N-contained (e.g. pyrrole) HCPs, which possess the highest selectivities of more than 40 at 273 K when compared with other HCPs. Chapter Four emphasizes on the chemical modification of a new designed polymer of intrinsic microporosity (PIM) with high CO2/N2 selectivity (50 at 273 K), whose experimental repeatability and chemical stability prove excellent. In Chapter Five, we demonstrate an improvement of both CO2 capture capacity and CO2/N2 selectivity by doping alkali metal ions into azo-polymers, which leads a promising method to the design of new porous organic polymers.

  12. Simulation of Tracer Transport in Porous Media: Application to Bentonites; Simulacion del Transporte de Trazadores en Medios Porosos: Aplicacion al Caso de Arcillas

    Energy Technology Data Exchange (ETDEWEB)

    Bru, A.; Casero, D. [CIEMAT, Madrid (Spain)

    2001-07-01

    We present a formal framework to describe tracer transport in heterogeneous media, such as porous media like bentonites. In these media, mean field approximation is not valid because there exist some geometrical constraints and the transport is anomalous. (Author)

  13. Graded/Gradient Porous Biomaterials

    Directory of Open Access Journals (Sweden)

    Xigeng Miao

    2009-12-01

    Full Text Available Biomaterials include bioceramics, biometals, biopolymers and biocomposites and they play important roles in the replacement and regeneration of human tissues. However, dense bioceramics and dense biometals pose the problem of stress shielding due to their high Young’s moduli compared to those of bones. On the other hand, porous biomaterials exhibit the potential of bone ingrowth, which will depend on porous parameters such as pore size, pore interconnectivity, and porosity. Unfortunately, a highly porous biomaterial results in poor mechanical properties. To optimise the mechanical and the biological properties, porous biomaterials with graded/gradient porosity, pores size, and/or composition have been developed. Graded/gradient porous biomaterials have many advantages over graded/gradient dense biomaterials and uniform or homogenous porous biomaterials. The internal pore surfaces of graded/gradient porous biomaterials can be modified with organic, inorganic, or biological coatings and the internal pores themselves can also be filled with biocompatible and biodegradable materials or living cells. However, graded/gradient porous biomaterials are generally more difficult to fabricate than uniform or homogenous porous biomaterials. With the development of cost-effective processing techniques, graded/gradient porous biomaterials can find wide applications in bone defect filling, implant fixation, bone replacement, drug delivery, and tissue engineering.

  14. Porous Electrode Studies.

    Science.gov (United States)

    1980-07-01

    representation and analysis for their observed current distributions. Simonsson won the young author’s award of the Electrochemical Society for his paper...and T. Katan, Proc. Symp. Energy Storage and Conversion, the Electrochemical Society 77-6, 770 (1977) The optimum thickness of porous electrodes is...Chloride Electrodes; Surface Morphology on Charging and Dis- charging," T. Katan, S. Szpak, and D. N. Bennion, The Electrochemical Society , 143rd National

  15. Nitrogen-rich porous adsorbents for CO2 capture and storage.

    Science.gov (United States)

    Li, Pei-Zhou; Zhao, Yanli

    2013-08-01

    The construction of physical or chemical adsorbents for CO2 capture and sequestration (CCS) is a vital technology in the interim period on the way towards a sustainable low-carbon future. The search for efficient materials to satisfy the increasing demand for CCS has become extremely important. Porous materials, including porous silica, porous carbons, and newly developed metal-organic frameworks and porous organic polymers, possessing regular and well-defined porous geometry and having a high surface area and pore volume, have been widely studied for separations on laboratory scale. On account of the dipole-quadrupole interactions between the polarizable CO2 molecule and the accessible nitrogen site, the investigations have indicated that the incorporation of accessible nitrogen-donor groups into the pore walls of porous materials can improve the affinity to CO2 and increase the CO2 uptake capacity and selectivity. The CO2 -adsorption process based on solid nitrogen-rich porous adsorbents does generally not require heating of a large amount of water (60-70 wt%) for regeneration, while such a heating approach cannot be avoided in the regeneration of amine-based solution absorption processes. Thus, nitrogen-rich porous adsorbents show good regeneration properties without sacrificing high separation efficiency. As such, nitrogen-rich porous materials as highly promising CO2 adsorbents have been broadly fabricated and intensively investigated. This Focus Review highlights recent significant advances in nitrogen-rich porous materials for CCS.

  16. From Plastic to Silicone: The Novelties in Porous Polymer Fabrications

    Directory of Open Access Journals (Sweden)

    Soumaya Berro

    2015-01-01

    Full Text Available Porous polymers are gaining increased interest in several areas due, in great part, to their large surface area and unique physiochemical properties. Porous polymers are conventionally manufactured using specific processes related to the chemical structure of each polymer. With the wide variety of porous polymers that have been designed, fabricated, and tested to date, this review aims to provide an overview of the advances and recent progress in the preparation processes and fabrication techniques. A detailed comparison between these techniques is also provided. Some of these techniques offer the advantage of controlling the porosity and the possibility to obtain porous 3D polymers. A new generic fabrication process that can be applied to all liquid polymers to texture their outer surfaces with a desired porosity is also presented. The proposed process, which is based on two micromolding steps, offers flexibility in terms of tailoring the texture of the final polymer by simply using porous silicon templates with different pore sizes and configurations. The anticipated process was successfully implemented to texture polyethyl hydrosiloxane (PMHS using porous silicon and polymethyl methacrylate (PMMA scaffolds.

  17. Multifunctional porous solids derived from tannins

    Science.gov (United States)

    Celzard, Alain; Fierro, Vanessa; Pizzi, Antonio; Zhao, Weigang

    2013-03-01

    Tannins are extremely valuable, non toxic, wood extractives combining reactivity towards aldehydes, low cost, natural origin and easy handling. When polymerized in the presence of suitable chemicals including blowing agent, ultra lightweight rigid tannin-based foams are obtained. If pyrolyzed under inert gas, reticulated carbon foams having the same pore structure and the same density are obtained. The most remarkable features of tannin-based foams are the following: mechanical resistance similar to, or higher than, that of commercial phenolic foams, tuneable pore size and permeability, infusibility, very low thermal conductivity, cheapness, ecological character, high resistance to flame and to chemicals. Carbon foams have even better properties and are also electrically conducting. Consequently, various applications are suggested for organic foams: cores of sandwich composite panels, sound and shock absorbers and thermal insulators, whereas carbon foams can be used as porous electrodes, filters for molten metals and corrosive chemicals, catalyst supports and adsorbents.

  18. Control of interfacial layers for high-performance porous Si lithium-ion battery anode.

    Science.gov (United States)

    Park, Hyungmin; Lee, Sungjun; Yoo, Seungmin; Shin, Myoungsoo; Kim, Jieun; Chun, Myungjin; Choi, Nam-Soon; Park, Soojin

    2014-09-24

    We demonstrate a facile synthesis of micrometer-sized porous Si particles via copper-assisted chemical etching process. Subsequently, metal and/or metal silicide layers are introduced on the surface of porous Si particles using a simple chemical reduction process. Macroporous Si and metal/metal silicide-coated Si electrodes exhibit a high initial Coulombic efficiency of ∼90%. Reversible capacity of carbon-coated porous Si gradually decays after 80 cycles, while metal/metal silicide-coated porous Si electrodes show significantly improved cycling performance even after 100 cycles with a reversible capacity of >1500 mAh g(-1). We confirm that a stable solid-electrolyte interface layer is formed on metal/metal silicide-coated porous Si electrodes during cycling, leading to a highly stable cycling performance.

  19. Heterogeneous oxidation of pesticides on aerosol condensed phase

    Science.gov (United States)

    Socorro, Joanna; Durand, Amandine; Temime-Roussel, Brice; Ravier, Sylvain; Gligorovski, Sasho; Wortham, Henri; Quivet, Etienne

    2015-04-01

    Pesticides are widely used all over the world. It is known that they exhibit adverse health effects and environmental risks due to their physico-chemical properties and their extensive use which is growing every year. They are distributed in the atmosphere, an important vector of dissemination, over long distances away from the target area. The partitioning of pesticides between the gas and particulate phases influences their atmospheric fate. Most of the pesticides are semi-volatile compounds, emphasizing the importance of assessing their heterogeneous reactivity towards atmospheric oxidants. These reactions are important because they are involved in, among others, direct and indirect climate changes, adverse health effects from inhaled particles, effects on cloud chemistry and ozone production. In this work, the importance of atmospheric degradation of pesticides is evaluated on the surface of aerosol deliquescent particles. The photolysis processing and heterogeneous reactivity towards O3 and OH, was evaluated of eight commonly used pesticides (cyprodinil, deltamethrin, difenoconazole, fipronil, oxadiazon, pendimethalin, permethrin, tetraconazole) adsorbed on silica particles. Silicate particles are present in air-borne mineral dust in atmospheric aerosols, and heterogeneous reactions can be different in the presence of these mineral particles. Depending on their origin and conditioning, aerosol particles containing pesticides can have complex and highly porous microstructures, which are influenced by electric charge effects and interaction with water vapour. Therefore, the kinetic experiments and consecutive product studies were performed at atmospherically relevant relative humidity (RH) of 55 %. The identification of surface bound products was performed using GC-(QqQ)-MS/MS and LC-(Q-ToF)-MS/MS and the gas-phase products were on-line monitored by PTR-ToF-MS. Based on the detected and identified reaction products, it was observed that water plays a crucial

  20. Hydrophilic treatment of porous PTFE for intractable glaucoma implant devices

    Science.gov (United States)

    Murahara, Masataka M.; Sato, Yuji; Fernandez, Viviana; Fantes, Francisco; Nose, Izuru; Lee, William E.; Milne, Peter J.; Parel, Jean-Marie A.

    2001-06-01

    Intractable glaucoma results from hindrances in the eyeball aqueous humor pathways that increase the intraocular pressure above normal physiological levels (over 20 mmHg). In this study porous PTFE membranes were made hydrophilic with a photochemical method that use ethyl alcohol and water for the chemical solution.

  1. Study on Calibration of Device of Heterogeneous Matrix With Uranium inside

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    The device of measuring heterogeneous matrix with uranium inside is built base on ray segment scan technology and neutron analysis technology, to use to measure the heterogeneous matrix with Uranium inside which produced by chemical transformation

  2. The calculation of desalination of mineralized porous ice at thawing

    Directory of Open Access Journals (Sweden)

    A. V. Sosnovsky

    2016-01-01

    Full Text Available The results obtained in this work demonstrate that dynamics of desalination of porous ice depends on a mobility of ions of salts, and the mobility is determined by the diffusion coefficient. The ice was made by freezing of mineralized water of different chemical composition. Model calculations of average mineralization of the porous ice at its thawing were made, and the ion concentrations of different salts were defined. Values of the diffusion coefficients of the salt ions in the film of brine ice pellets were obtained by means of comparison of results of measurements and calculations of dynamics of content of the salt ions in a porous ice at its thawing. The diffusion coefficient of ions Na+, Cl−, SO4 2− is by order of magnitude larger than that of Ca2+ and by two orders of magnitudethan HCO3 −. This results in that the content of ions Na+, Cl−, SO42− decreases in porous ice at its thawing 3 times faster than the content of the ions Ca2+. Basing on analysis of chemical composition of drainage water in some regions in Russia a possibility to desalinate the porous ice formed during the winter sprinkling is demonstrated.

  3. a Fractal Network Model for Fractured Porous Media

    Science.gov (United States)

    Xu, Peng; Li, Cuihong; Qiu, Shuxia; Sasmito, Agus Pulung

    2016-04-01

    The transport properties and mechanisms of fractured porous media are very important for oil and gas reservoir engineering, hydraulics, environmental science, chemical engineering, etc. In this paper, a fractal dual-porosity model is developed to estimate the equivalent hydraulic properties of fractured porous media, where a fractal tree-like network model is used to characterize the fracture system according to its fractal scaling laws and topological structures. The analytical expressions for the effective permeability of fracture system and fractured porous media, tortuosity, fracture density and fraction are derived. The proposed fractal model has been validated by comparisons with available experimental data and numerical simulation. It has been shown that fractal dimensions for fracture length and aperture have significant effect on the equivalent hydraulic properties of fractured porous media. The effective permeability of fracture system can be increased with the increase of fractal dimensions for fracture length and aperture, while it can be remarkably lowered by introducing tortuosity at large branching angle. Also, a scaling law between the fracture density and fractal dimension for fracture length has been found, where the scaling exponent depends on the fracture number. The present fractal dual-porosity model may shed light on the transport physics of fractured porous media and provide theoretical basis for oil and gas exploitation, underground water, nuclear waste disposal and geothermal energy extraction as well as chemical engineering, etc.

  4. Modeling and Simulations of Particulate Flows through Functionalized Porous Media

    Science.gov (United States)

    Li, Chunhui; Dutta, Prashanta; Liu, Jin

    2016-11-01

    Transport of particulate fluid through a functionalized porous material is of significant interest in many industrial applications, such as earth sciences, battery designs and water/air purifications. The entire process is complex, which involves the convection of fluid, diffusion of reactants as well as reversible chemical reactions at the fluid-solid interface In this work we present a convection-diffusion-reaction model and simulate the transport of particulate fluid through a functionalized porous media. The porous structures are generated and manipulated through the quartet structure generation set method. The Navier-Stokes with convection-diffusion equations are solved using the lattice Boltzmann method. The chemical reactions at the interface are modeled by an absorption-desorption process and treated as the boundary conditions for above governing equations. Through our simulations we study the effects of porous structures, including porosity, pore orientation, and pore size as well as the kinetic rates of surface reactions on the overall performance of removal efficiency of the species from the solution. Our results show that whole process is highly affected by both the porous structures and absorption rate. The optimal parameters can be achieved by proper design. This work is supported by NSF Grants: CBET-1250107 and CBET -1604211.

  5. Headwater Streams in Porous Landscapes - What's the contributing area?

    Science.gov (United States)

    Jackson, C. R.; Bitew, M. M.; Du, E.; Griffiths, N.; Hopp, L.; Klaus, J.; McDonnell, J.; Vache, K. B.

    2015-12-01

    Building on a long legacy of hydrogeological investigations at the Savannah River Site in the Sandhills of the Upper Coastal Plain in South Carolina, we began in 2005 a headwater-scale investigation of hillslope flow pathways, streamflow sources, and water quality responses to intensive woody biomass production. The landscape is characterized by blackwater streams flowing slowly through wide flat stream valleys, deep unconsolidated layers of sands and clays, a regional clay layer beneath Fourmile Creek that defines the lower boundary of the surficial aquifer, rolling topography with steeper slopes on the valley margins and gentle slopes elsewhere, and a sandy clay loam argillic layer within 0.2 to 1.5m from the surface. Most water leaves headwater basins by groundwater flow, appearing as streamflow far downstream. Only at scales larger than 50 km2 does average streamflow match expectations from water balances. This raises the question, what constitutes the contributing area for headwater streams in porous landscapes? Perching and interflow generation over the argillic horizon is common, but leakage through clay is rapid relative to interflow travel times, so interflow serves to shift the point of percolation downslope from the point of infiltration. Only interflow from the valley-adjacent slopes can contribute to stormflow responses. Our interflow interception trenches and maximum rise piezometer networks reveal high heterogeneity in subsurface flow paths at multiple spatial scales. Streamwater has isotopic and chemical characteristics similar to deep groundwater, but we cannot easily determine the source area for groundwater reaching the first order streams. Our observations suggest that one's view of hillslope and catchment flow processes depends on the scale, number, and frequency of observations of state variables and outputs. In some cases, less frequent or less numerous observations of fewer tracers would have yielded different inferences. The data also

  6. Nanotube Arrays in Porous Anodic Alumina Membranes

    Institute of Scientific and Technical Information of China (English)

    Liang LI; Naoto KOSHIZAKI; Guanghai LI

    2008-01-01

    This review summarizes the various techniques developed for fabricating nanotube arrays in porous anodic alumina membranes (AAMs). After a brief introduction to the fabrication process of AAMs, taking carbons, metals, semiconductors, organics, biomoleculars, and heterojunctions as typical examples, attention will be focused on the recently established methods to fabricate nanotubes in AAM, including electrochemical deposition, surface sol-gel, modified chemical vapor deposition, atomic layer deposition, and layer-by-layer growth. Every method is demonstrated by one or two reported results. Finally, this review is concluded with some perspectives on the research directions and focuses on the AAM-based nanotubes fields.

  7. Preparation and characteristics of porous ceramics

    Institute of Scientific and Technical Information of China (English)

    Dongmei SHAO; Peiping ZHANG; Liyan MA; Juanjuan LIU

    2007-01-01

    Pyrophyllite is always used for making porous ceramics. In order to design the preparation technics of porous ceramics with pyrophyllite reasonably we must know the classifications, characteristics, properties and applications of porous ceramics. The classification and characteristics of porous ceramics are reviewed in this article; and several common preparations with their advantages and disadvantages are also introduced. The authors discussed the problems existing in researching and developing process for porous ceramics, and forecasted the development prospect of porous ceramics.

  8. Porous Thermoelectric Materials

    Directory of Open Access Journals (Sweden)

    Hiroshi Julian Goldsmid

    2009-08-01

    Full Text Available Thermoelectric materials are sometimes prepared using a sintering process in which the achievement of a high density is often one of the objectives. However, it has recently been shown that the introduction of a highly porous material is desirable in synthetic transverse thermoelements. Porosity may also be an advantage in conventional longitudinal thermoelectric modules in which a high thermal flux density creates problems, but heat transfer within the pores can degrade the thermoelectric figure of merit. The amount of this degradation is calculated and it is shown that it can be small enough to be acceptable in practical devices.

  9. Tortuosity of porous particles.

    Science.gov (United States)

    Barrande, M; Bouchet, R; Denoyel, R

    2007-12-01

    Tortuosity is often used as an adjustable parameter in models of transfer properties through porous media. This parameter, not reducible to classical measured microstructural parameters like specific surface area, porosity, or pore size distribution, reflects the efficiency of percolation paths, which is linked to the topology of the material. The measurement of the effective conductivity of a bed of particles saturated with an electrolyte is a simple way to evaluate tortuosity. Nevertheless, it received only little attention because of the real difficulties in both getting reliable results and interpreting data. Notably, the discrimination between the contribution of interparticle and intraparticle porosities to the tortuosity is not resolved. To our knowledge, there is no model able to fit the experimental data of the tortuosity of a suspension, and a fortiori of a particle bed, in the whole porosity range. Only empirical expressions have been proposed, but they do not allow deriving intratortuosity of a porous particle. For a dilute system, Maxwell's equation predicts the effective conductivity of suspensions of spherical particles as a function of the bulk electrolyte conductivity and of particle conductivity. The intraparticle tortuosity can be derived from the particle conductivity obtained from the Maxwell equation applied to data at infinite dilution of particles. Then, by assuming that the Maxwell equation is a first-order approximation of the conductivity as a function of porosity, we propose an explicit relation of the tortuosity tau of a suspension of porous particles, obtained by conductivity measurement, as tau = tau(epsilon, epsilon(p), tau(p)), where epsilon is the total porosity of the suspension, tau(p) is the intraparticle tortuosity, and epsilon(p) is the particle porosity. This relationship fits the experimental data in the whole porosity range and can be used to determine tau(p) from an experiment at only one porosity. Finally, the obtained

  10. Light Emitting Porous Silicon

    Science.gov (United States)

    1993-05-01

    ml - mm m lm m ~ m m ThO report Page 14 preparation method which has been originally described by Wohler [23] leads to a bright yellow substance with...Solid State Commun. 81, 307 (1992). [221 H. Kautsky, and H. Zocher, Z. Phys. 9,267 (1992). L TNO report Page 28 [231 F. Wohler , Lieb. Ann. 127, 275 (1863...Netherlands Fax + 31 70 328 09 61 Phone + 31 70 326 42 21 TNO- report copy no. e FEL-93eo047r Lh Emitting Porous Silicon sitho(s): DTICHMi.P.Th

  11. Small, porous polyacrylate beads

    Science.gov (United States)

    Rembaum, Alan (Inventor); Yen, Shiao-Ping Siao (Inventor); Dreyer, William J. (Inventor)

    1976-01-01

    Uniformly-shaped, porous, round beads are prepared by the co-polymerization of an acrylic monomer and a cross-linking agent in the presence of 0.05 to 5% by weight of an aqueous soluble polymer such as polyethylene oxide. Cross-linking proceeds at high temperature above about 50.degree.C or at a lower temperature with irradiation. Beads of even shape and even size distribution of less than 2 micron diameter are formed. The beads will find use as adsorbents in chromatography and as markers for studies of cell surface receptors.

  12. Crosslinked, porous, polyacrylate beads

    Science.gov (United States)

    Rembaum, Alan (Inventor); Yen, Shiao-Ping S. (Inventor); Dreyer, William J. (Inventor)

    1977-01-01

    Uniformly-shaped, porous, round beads are prepared by the co-polymerization of an acrylic monomer and a cross-linking agent in the presence of 0.05 to 5% by weight of an aqueous soluble polymer such as polyethylene oxide. Cross-linking proceeds at high temperature above about 50.degree. C or at a lower temperature with irradiation. Beads of even shape and even size distribution of less than 2 micron diameter are formed. The beads will find use as adsorbents in chromatography and as markers for studies of cell surface receptors.

  13. Heterogeneous network architectures

    DEFF Research Database (Denmark)

    Christiansen, Henrik Lehrmann

    2006-01-01

    Future networks will be heterogeneous! Due to the sheer size of networks (e.g., the Internet) upgrades cannot be instantaneous and thus heterogeneity appears. This means that instead of trying to find the olution, networks hould be designed as being heterogeneous. One of the key equirements here...... is flexibility. This thesis investigates such heterogeneous network architectures and how to make them flexible. A survey of algorithms for network design is presented, and it is described how using heuristics can increase the speed. A hierarchical, MPLS based network architecture is described...... and it is discussed that it is advantageous to heterogeneous networks and illustrated by a number of examples. Modeling and simulation is a well-known way of doing performance evaluation. An approach to event-driven simulation of communication networks is presented and mixed complexity modeling, which can simplify...

  14. CHEMICAL COMPOUNDS FOR METAL SHAPING

    Science.gov (United States)

    ALLOYS, *CHEMICAL MILLING, *METALS, *REFRACTORY MATERIALS, AIRCRAFT, ALUMINUM ALLOYS, CARBOXYMETHYLCELLULOSE , CHEMICALS, CHROMIUM ALLOYS, GELS, HEAT...RESISTANT ALLOYS, MATERIALS, MOLYBDENUM ALLOYS, NICKEL ALLOYS, NIOBIUM, POROUS MATERIALS, PROCESSING, PRODUCTION , SOLIDS, SOLUTIONS(MIXTURES), STAINLESS STEEL, STEEL, STRUCTURES, TANTALUM, TITANIUM ALLOYS, VANADIUM ALLOYS.

  15. Towards a rigorous mesoscale modeling of reactive flow and transport in an evolving porous medium and its applications to soil science

    Science.gov (United States)

    Ray, Nadja; Rupp, Andreas; Knabner, Peter

    2016-04-01

    Soil is arguably the most prominent example of a natural porous medium that is composed of a porous matrix and a pore space. Within this framework and in terms of soil's heterogeneity, we first consider transport and fluid flow at the pore scale. From there, we develop a mechanistic model and upscale it mathematically to transfer our model from the small scale to that of the mesoscale (laboratory scale). The mathematical framework of (periodic) homogenization (in principal) rigorously facilitates such processes by exactly computing the effective coefficients/parameters by means of the pore geometry and processes. In our model, various small-scale soil processes may be taken into account: molecular diffusion, convection, drift emerging from electric forces, and homogeneous reactions of chemical species in a solvent. Additionally, our model may consider heterogeneous reactions at the porous matrix, thus altering both the porosity and the matrix. Moreover, our model may additionally address biophysical processes, such as the growth of biofilms and how this affects the shape of the pore space. Both of the latter processes result in an intrinsically variable soil structure in space and time. Upscaling such models under the assumption of a locally periodic setting must be performed meticulously to preserve information regarding the complex coupling of processes in the evolving heterogeneous medium. Generally, a micro-macro model emerges that is then comprised of several levels of couplings: Macroscopic equations that describe the transport and fluid flow at the scale of the porous medium (mesoscale) include averaged time- and space-dependent coefficient functions. These functions may be explicitly computed by means of auxiliary cell problems (microscale). Finally, the pore space in which the cell problems are defined is time- and space dependent and its geometry inherits information from the transport equation's solutions. Numerical computations using mixed finite

  16. Moisture Sorption in Porous Materials

    DEFF Research Database (Denmark)

    Nielsen, Lauge Fuglsang

    2007-01-01

    Abstract: Information on pore geometry is very important in any study of the mechanical and physical behavior of porous materials. Unfortunately pores are not very accessible for direct measurements. Indirect methods have to be used which involve impregnation (sorption) experiments from which...... in the subject considered this software is available on request to the author. Keywords: Porous materials, moisture, adsorption, desorption, BET-parameters....

  17. Fullerene-doped porous glasses

    Science.gov (United States)

    Joshi, M. P.; Kukreja, L. M.; Rustagi, K. C.

    We report the doping of C60 in porous glass by diffusion in solution phase at room temperature. The presence of C60 in the doped porous glass was confirmed spectroscopically. We also report the changes in optical absorption spectrum and intensity-dependent transmission of 30 ns laser pulses at 527 nm in these materials.

  18. Fullerene-doped porous glasses

    Energy Technology Data Exchange (ETDEWEB)

    Joshi, M.P. [Center for Adv. Technol., Indore (India). Nonlinear Optics Group; Kukreja, L.M. [Center for Adv. Technol., Indore (India). Nonlinear Optics Group; Rustagi, K.C. [Center for Adv. Technol., Indore (India). Nonlinear Optics Group

    1997-07-01

    We report the doping of C{sub 60} in porous glass by diffusion in solution phase at room temperature. The presence of C{sub 60} in the doped porous glass was confirmed spectroscopically. We also report the changes in optical absorption spectrum and intensity-dependent transmission of 30 ns laser pulses at 527 nm in these materials. (orig.)

  19. Aerosol dynamics in porous media

    NARCIS (Netherlands)

    Ghazaryan, Lilya

    2014-01-01

    In this thesis, a computational model was developed for the simulation of aerosol formation through nucleation, followed by condensation and evaporation and filtration by porous material. Understanding aerosol dynamics in porous media can help improving engineering models that are used in various in

  20. Measurement of Fluid Flow in Pipe and Porous Media by High-Resolution Magnetic Resonance Imaging

    Institute of Scientific and Technical Information of China (English)

    JIANG Lan-lan; SONG Yong-chen; LIU Yu; DOU Bin-lin; ZHU Ning-jun; ZHAO Jia-fei; BULITI Abudula

    2012-01-01

    The objective of this study is to understand the process of fluid flow in pipe and porous media with different pore structures.High-resolution Magnetic Resonance Imaging (MRI) technique was used to visualize the pore structure and measure fluid flow.The porous media was formed by packed bed of glass beads.Flow measurement was carried out by a modified spin echo sequence.The results show that the velocity distribution in pipe is annular and the linear relation between MRI velocity and actual velocity is found in pipe flow measurement.The flow distribution in porous media is rather heterogeneous,and it is consistent with heterogeneous pore structure.The flow through pores with the high volume flow rate is determined largely by geometrical effects such as pore size and cross-sectional area.

  1. Detecting alpha radiation by scintillation in porous materials

    Energy Technology Data Exchange (ETDEWEB)

    Keillor, M.E. [McClellan Central Lab., McClellan AFB, CA (United States); Burggraf, L.W. [Air Force Inst. of Tech., Wright-Patterson AFB, OH (United States)

    1997-10-01

    This paper presents a study of some parameters essential to the development of a heterogeneous scintillation detector with improved alpha energy resolution and detection efficiency. Such a detector with better than 10% alpha energy resolution could provide in situ capability to identify and quantify important alpha-emitting radionuclides in dilute aqueous solutions. Nanoporous gel-silica is a potential scintillation matrix with the promise of improved energy resolution and 100% detection efficiency. Scintillating gel-silica made by a sol-gel process is under development. As a step toward realizing the system described, the dependence of alpha detection efficiency and intrinsic energy resolution in particulate and porous glass scintillation detectors is examined. The two main areas of this research are: (1) computer modeling of the geometric detection efficiency and energy dispersion in particulate and porous glass scintillation detectors and (2) experiments to test model predictions for detection of alphas in liquid-infiltrated porous glass structures. To confirm the predicted alpha energy deposition, the authors measured scintillation in nanoporous gel-silica infiltrated with an organic liquid scintillator. Results show that phase dimensions must be considered in constructing a heterogeneous detector for alpha spectroscopy. Nanometer-scale dimensions available in gel-silica essentially eliminate degradation of energy resolution due to energy dispersion of alpha particles within the liquid sample, while providing 100% detection efficiency.

  2. An Overview of Recent Development in Composite Catalysts from Porous Materials for Various Reactions and Processes

    Directory of Open Access Journals (Sweden)

    Zaiku Xie

    2010-05-01

    Full Text Available Catalysts are important to the chemical industry and environmental remediation due to their effective conversion of one chemical into another. Among them, composite catalysts have attracted continuous attention during the past decades. Nowadays, composite catalysts are being used more and more to meet the practical catalytic performance requirements in the chemical industry of high activity, high selectivity and good stability. In this paper, we reviewed our recent work on development of composite catalysts, mainly focusing on the composite catalysts obtained from porous materials such as zeolites, mesoporous materials, carbon nanotubes (CNT, etc. Six types of porous composite catalysts are discussed, including amorphous oxide modified zeolite composite catalysts, zeolite composites prepared by co-crystallization or overgrowth, hierarchical porous catalysts, host-guest porous composites, inorganic and organic mesoporous composite catalysts, and polymer/CNT composite catalysts.

  3. Heterogeneous Neutron Capture Record of the Norton County Enstatite Achondrite

    Science.gov (United States)

    Hidaka, H.; Yoneda, S.

    2012-09-01

    Large and heterogeneous isotopic variations of Sm and Gd due to neutron capture reactions caused by cosmic-ray irradiation were found in chemical and mineral separates from the Norton County meteorite.

  4. Heterogeneous cellular networks

    CERN Document Server

    Hu, Rose Qingyang

    2013-01-01

    A timely publication providing coverage of radio resource management, mobility management and standardization in heterogeneous cellular networks The topic of heterogeneous cellular networks has gained momentum in industry and the research community, attracting the attention of standardization bodies such as 3GPP LTE and IEEE 802.16j, whose objectives are looking into increasing the capacity and coverage of the cellular networks. This book focuses on recent progresses,  covering the related topics including scenarios of heterogeneous network deployment, interference management i

  5. Two-Level Domain Decomposition Methods for Highly Heterogeneous Darcy Equations. Connections with Multiscale Methods

    Directory of Open Access Journals (Sweden)

    Dolean Victorita

    2014-07-01

    Full Text Available Multiphase, compositional porous media flow models lead to the solution of highly heterogeneous systems of Partial Differential Equations (PDE. We focus on overlapping Schwarz type methods on parallel computers and on multiscale methods. We present a coarse space [Nataf F., Xiang H., Dolean V., Spillane N. (2011 SIAM J. Sci. Comput. 33, 4, 1623-1642] that is robust even when there are such heterogeneities. The two-level domain decomposition approach is compared to multiscale methods.

  6. MECHANISM FOR VISCOELASTIC POLYMER SOLUTION PERCOLATING THROUGH POROUS MEDIA

    Institute of Scientific and Technical Information of China (English)

    ZHANG Li-juan; YUE Xiang-an

    2007-01-01

    The pore throat of porous media is modeled as a constricted channel or expanded channel. The flow of viscoelastic polymer solution in pore throat model is studied by numerical method. Relationship between pressure drop and flow rate is developed, viscoelasticity and throat size are found to be two main factors in high flow resistance. According to pore throat model, 2-D stochastic channel bundle is put forward to model porous media, which is composed of pore throat models in series - parallel connection with size and length accord to Haring - Greenkorn stochastic distribution. Percolation model of viscoelastic fluid is developed on the basis of Darcy equation and pressure drop vs. flow rate relation in 2-D stochastic channel bundle. Results indicate that the seepage ability of viscoelastic polymer solution decreases with the increase of viscoelasticity, injection rate, and heterogeneity as well as the decrease of mean pore size of porous media. The high pressure drop of viscoelastic fluid at the connection of pore to throat plays a great role in its anomalous high flow resistance through porous media.

  7. Formulation of porous poly(lactic-co-glycolic acid) microparticles by electrospray deposition method for controlled drug release

    Energy Technology Data Exchange (ETDEWEB)

    Hao, Shilei; Wang, Yazhou; Wang, Bochu, E-mail: wangbc2000@126.com; Deng, Jia; Zhu, Liancai; Cao, Yang

    2014-06-01

    In the present study, the electrospray deposition was successfully applied to prepare the porous poly(lactic-co-glycolic acid) (PLGA) microparticles by one-step processing. Metronidazole was selected as the model drug. The porous PLGA microparticles had high drug loading and low density, and the porous structure can be observed by scanning electron microscope (SEM) and transmission electron microscopy (TEM). The production time has been shortened considerably compared with that of the traditional multi-emulsion method. In addition, no chemical reaction occurred between the drug and polymer in the preparation of porous microparticles, and the crystal structure of drug did not change after entrapment into the porous microparticles. The porous microparticles showed a sustained release in the simulated gastric fluid, and the release followed non-Fickian or case II transport. Furthermore, porous microparticles showed a slight cytotoxicity in vitro. The results indicated that electrospray deposition is a good technique for preparation of porous microparticles, and the low-density porous PLGA microparticles has a potential for the development of gastroretentive systems or for pulmonary drug delivery. - Highlights: • The porous PLGA microparticles were successfully prepared by the electrospray deposition method at one step. • The porous microparticles had high loading capacity and low density. • The microparticle showed a sustained release in the simulated gastric liquid. • The microparticles showed a slight cytotoxicity in vitro.

  8. Rationally designed porous silicon as platform for optical biosensors

    Energy Technology Data Exchange (ETDEWEB)

    Priano, G. [INQUIMAE, DQIAyQF, FCEN, Universidad de Buenos Aires, Ciudad Universitaria, Pabellon 2 (C1428EHA) Buenos Aires (Argentina); Acquaroli, L.N.; Lasave, L.C. [Instituto De Desarrollo Tecnologico Para La Industria Quimica, UNL, CONICET, Gueemes 3450 (S3000GLN) Santa Fe (Argentina); Battaglini, F. [INQUIMAE, DQIAyQF, FCEN, Universidad de Buenos Aires, Ciudad Universitaria, Pabellon 2 (C1428EHA) Buenos Aires (Argentina); Arce, R.D., E-mail: rarce@intec.unl.edu.ar [Instituto De Desarrollo Tecnologico Para La Industria Quimica, UNL, CONICET, Gueemes 3450 (S3000GLN) Santa Fe (Argentina); Departamento De Materiales, Facultad De Ingenieria Quimica, UNL, Santiago del Estero 2829 (S3000) Santa Fe (Argentina); Koropecki, R.R. [Instituto De Desarrollo Tecnologico Para La Industria Quimica, UNL, CONICET, Gueemes 3450 (S3000GLN) Santa Fe (Argentina); Departamento De Materiales, Facultad De Ingenieria Quimica, UNL, Santiago del Estero 2829 (S3000) Santa Fe (Argentina)

    2012-08-01

    Optical porous silicon multilayer structures are able to work as sensitive chemical sensors or biosensors based in their optical response. An algorithm to simulate the optical response of these multilayers was developed, considering the optical properties of the individual layers. The algorithm allows designing and customizing the porous silicon structures according to a given application. The results obtained by the simulation were experimentally verified; for this purpose different photonic structures were prepared, such as Bragg reflectors and microcavities. Some of these structures have been derivatized by the introduction of aminosilane groups on the porous silicon surface. The algorithm also permits to simulate the effects produced by a non uniform derivatization of the multilayer. - Highlights: Black-Right-Pointing-Pointer Mesoporous silicon structure Black-Right-Pointing-Pointer Functionalization of mesoporous silicon as sensors Black-Right-Pointing-Pointer Design of the one-dimensional photonic crystal Black-Right-Pointing-Pointer Simulation of non-uniformity in covering the sensor structure.

  9. Pressure Sensitive Device Using Conductive and Porous Structures

    Energy Technology Data Exchange (ETDEWEB)

    So, Hye-Mi; Chang, Won Seok [Korea Institute of Machinery and Materials, Daejeon (Korea, Republic of); Park, Cheolmin [University of Science and Technology, Daejeon (Korea, Republic of)

    2014-07-15

    Porous conductors are known to demonstrate excellent electrical, mechanical, and chemical resistance. These porous conductors demonstrated potential applications in various fields such as electrodes for supercapacitors, flexible heaters, catalytic electrodes, and sorbents. In this study, we described a pressure sensitive device using conductive and porous sponges. With an extremely simple “dipping and drying” process using a single-walled carbon nanotube (SWCNT) solution, we produced conductive sponges with sheet resistance of < 30 kΩ/sq. These carbon nanotube sponges can be deformed into any shape elastically and repeatedly compressed to large strains without collapse. The pressure sensors developed from these sponges demonstrated high resistance change under pressure of up to a half of their initial resistance.

  10. Bacteria transport through porous material: Final technical report

    Energy Technology Data Exchange (ETDEWEB)

    Yen, T.F.

    1989-02-13

    The injection and penetration of bacteria into a reservoir is the most problematic and crucial of the steps in microbial enhanced recovery (MEOR). In the last phase of our work valuable information on bacterial transport in porous media was obtained. A great deal of progress was made to determine chemical bonding characteristics between adsorbed bacteria and the rock surfaces. In order to further enhance our knowledge of the effects of surface tensions on bacteria transport through porous media, a new approach was taken to illustrate the effect of liquid surface tension on bacterial transport through a sandpack column. Work in surface charge characterization of reservoir rock as a composite oxide system was also accomplished. In the last section of this report a mathematical model to simulate the simultaneous diffusion and growth of bacteria cells in a nutrient-enriched porous media is proposed.

  11. Porous polyoxadiazole membranes for harsh environment

    KAUST Repository

    Maab, Husnul

    2013-10-01

    A series of polyoxadiazoles with exceptionally high stability at temperatures as high as 370°C and in oxidative medium has been synthesized by polycondensation and manufactured into porous membranes by phase inversion. The membranes were characterized by thermal analysis (TGA), chemical stability was measured by immersion test, oxidative stability by Fenton\\'s test, pore diameter by porosimetry and the morphology by FESEM. The polymers are soluble only in sulfuric acid and are stable in organic solvents like NMP, THF and isopropanol. The membranes selectivity was confirmed by separation of polystyrene standards with different molecular weights. Most membranes were characterized as having a cut-off of 60,000. g/mol. Being stable under harsh environments, the membranes have incomparable characteristics with perspectives of application in chemical and pharmaceutical industry, catalytic reactors, in combination with oxidative processes and other applications so far envisioned only for ceramic membranes. © 2013.

  12. Teaching Heterogeneous Classes.

    Science.gov (United States)

    Millrood, Radislav

    2002-01-01

    Discusses an approach to teaching heterogeneous English-as-a-Second/Foreign-Language classes. Draws on classroom research data to describe the features of a success-building lesson context. (Author/VWL)

  13. The flow of a foam in a two-dimensional porous medium

    Science.gov (United States)

    Géraud, Baudouin; Jones, Siân. A.; Cantat, Isabelle; Dollet, Benjamin; Méheust, Yves

    2016-02-01

    Foams have been used for decades as displacing fluids for enhanced oil recovery and aquifer remediation, and more recently, for remediation of the vadose zone, in which case foams carry chemical amendments. Foams are better injection fluids than aqueous solutions due to their low sensitivity to gravity and because they are less sensitive to permeability heterogeneities, thus allowing a more uniform sweep. The latter aspect results from their peculiar rheology, whose understanding motivates the present study. We investigate foam flow through a two-dimensional porous medium consisting of circular obstacles positioned randomly in a horizontal transparent Hele-Shaw cell. The local foam structure is recorded in situ, which provides a measure of the spatial distribution of bubble velocities and sizes at regular time intervals. The flow exhibits a rich phenomenology including preferential flow paths and local flow nonstationarity (intermittency) despite the imposed permanent global flow rate. Moreover, the medium selects the bubble size distribution through lamella division-triggered bubble fragmentation. Varying the mean bubble size of the injected foam, its water content, and mean velocity, we characterize those processes systematically. In particular, we measure the spatial evolution of the distribution of bubble areas, and infer the efficiency of bubble fragmentation depending on the various control parameters. We furthermore show that the distributions of bubble sizes and velocities are correlated. This study sheds new light on the local rheology of foams in porous media and opens the way toward quantitative characterization of the relationship between medium geometry and foam flow properties. It also suggests that large-scale models of foam flows in the subsurface should account for the correlation between bubble sizes and velocities.

  14. Heterogeneous OH oxidation of organic aerosols

    Science.gov (United States)

    Smith, J.; Kroll, J.; Cappa, C.; Che, D.; Ahmed, M.; Leone, S.; Worsnop, D.; Wilson, K.

    2008-12-01

    The hydroxyl radical (OH) is the most important reactive species in both clean and polluted atmospheres, and therefore gas-phase OH chemistry has been extensively studied for decades. Due to this enormous effort the rates and mechanism of OH reactions with gas phase organics are relatively well understood. However, it unclear whether these well established gas-phase chemical mechanisms apply to the more complex heterogeneous reactions of OH radicals with organic aerosols (OA). Although recent studies have begun to examine OH oxidation of OA, numerous outstanding questions still remain regarding both the rate and chemical mechanism of these reactions. Here we present an in depth investigation of the heterogeneous oxidation of organic squalane particles by OH radicals. By combining a photochemical aerosol flow reactor with a high-resolution aerosol mass spectrometer (AMS), with both electron impact and vacuum ultraviolet photoionization, we investigate OH heterogeneous chemistry in unprecedented detail. Employing elemental composition measurements with detailed kinetics we have arrived at a simple oxidation model which accurately accounts for the evolution of squalane and its" oxidation products. In addition, by exploring a large range of OH concentrations we are able to directly measure the role of secondary particle-phase chain chemistry which can significantly accelerate the oxidation of OA in the atmosphere. Based on these measurements we have arrived at an explicit chemical mechanism for heterogeneous OH oxidation of OA which accurately accounts for our observations over a wide range of reaction conditions.

  15. Filtration in Porous Media

    DEFF Research Database (Denmark)

    Yuan, Hao; Shapiro, Alexander

    There is a considerable and ongoing effort aimed at understanding the transport and the deposition of suspended particles in porous media, especially non-Fickian transport and non-exponential deposition of particles. In this work, the influential parameters in filtration models are studied...... to understand their effects on the non-Fickian transport and the non-exponential deposition. The filtration models are validated by the comparisons between the modelling results and the experimental data.The elliptic equation with distributed filtration coefficients may be applied to model non-Fickian transport...... and hyperexponential deposition. The filtration model accounting for the migration of surface associated particles may be applied for non-monotonic deposition....

  16. Optimized manufacturable porous materials

    DEFF Research Database (Denmark)

    Andreassen, Erik; Andreasen, Casper Schousboe; Jensen, Jakob Søndergaard

    Topology optimization has been used to design two-dimensional material structures with specific elastic properties, but optimized designs of three-dimensional material structures are more scarsely seen. Partly because it requires more computational power, and partly because it is a major challenge...... to include manufacturing constraints in the optimization. This work focuses on incorporating the manufacturability into the optimization procedure, allowing the resulting material structure to be manufactured directly using rapid manufacturing techniques, such as selective laser melting/sintering (SLM....../S). The available manufacturing methods are best suited for porous materials (one constituent and void), but the optimization procedure can easily include more constituents. The elasticity tensor is found from one unit cell using the homogenization method together with a standard finite element (FE) discretization...

  17. Multiphase flow in porous media using CFD

    DEFF Research Database (Denmark)

    Hemmingsen, Casper Schytte; Walther, Jens Honore

    We present results from a new Navier-Stokes model for multiphase flow in porous media implemented in Ansys Fluent 16.2 [1]. The model includes the Darcy-Forchheimer source terms in the momentum equations and proper account for relative permeability and capillary pressure in the porous media...... to model both the non-porous and porous media using the same formulation....

  18. Gas Permeation Characteristics across Nano-Porous Inorganic Membranes

    Directory of Open Access Journals (Sweden)

    M.R Othman, H. Mukhtar

    2012-10-01

    Full Text Available An overview of parameters affecting gas permeation in inorganic membranes is presented. These factors include membrane physical characteristics, operational parameters and gas molecular characteristics. The membrane physical characteristics include membrane materials and surface area, porosity, pore size and pore size distribution and membrane morphology. The operational parameters include feed flow rate and concentration, stage cut, temperature and pressure. The gas molecular characteristics include gas molecular weight, diameter, critical temperature, critical pressure, Lennard-Jones parameters and diffusion volumes. The current techniques of material characterization may require complementary method in describing microscopic heterogeneity of the porous ceramic media. The method to be incorporated in the future will be to apply a stochastic model and/or fractal dimension. Keywords: Inorganic membrane, surface adsorption, Knudsen diffusion, Micro-porous membrane, permeation, gas separation.

  19. Porous media geometry and transports

    CERN Document Server

    Adler, Pierre

    1992-01-01

    The goal of ""Porous Media: Geometry and Transports"" is to provide the basis of a rational and modern approach to porous media. This book emphasizes several geometrical structures (spatially periodic, fractal, and random to reconstructed) and the three major single-phase transports (diffusion, convection, and Taylor dispersion).""Porous Media"" serves various purposes. For students it introduces basic information on structure and transports. Engineers will find this book useful as a readily accessible assemblage of al the major experimental results pertaining to single-phase tr

  20. A Twophase Multirate-Mass Transfer Model for Flow and Transport in Porous Media

    Science.gov (United States)

    Dentz, M.; Tecklenburg, J.; Neuweiler, I.; Carrera, J.

    2015-12-01

    We present an upscaled non-local model for two-phase flow and transport in highly heterogeneous porous media. The media under consideration are characterized by sharp contrasts in the hydraulic properties typical for fractured porous media, for example. A two-scale expansion gives an upscaled flow and transport formulation that models multiratemass transfer between mobile (fracture) and immobile (matrix) medium portions. The evolution of saturation due to viscous dominated flow in the mobile domain and mass exchange with the immobile zones through capillary countercurrent flow. The medium heterogeneity is mapped onto the mass transfer parameters, which are encoded in a memory functionthat describes the non-local flux between mobile and immobile zones. The upscaled model is parameterized by the medium heterogeneity and the distribution of hydraulic parameters. Breakthrough of the displaced fluidshows characteristic heavy tails due to fluid retention in immobile zones.

  1. TMVOC, simulator for multiple volatile organic chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Pruess, Karsten; Battistelli, Alfredo

    2003-03-25

    TMVOC is a numerical simulator for three-phase non-isothermal flow of water, soil gas, and a multicomponent mixture of volatile organic chemicals (VOCs) in multidimensional heterogeneous porous media. It is an extension of the TOUGH2 general-purpose simulation program developed at the Lawrence Berkeley National Laboratory. TMVOC is designed for applications to contamination problems that involve hydrocarbon fuel or organic solvent spills in saturated and unsaturated zones. It can model contaminant behavior under ''natural'' environmental conditions, as well as for engineered systems, such as soil vapor extraction, groundwater pumping, or steam-assisted source remediation. TMVOC is upwards compatible with T2VOC (Falta et al., 1995) and can be initialized from T2VOC-style initial conditions. The main enhancements in TMVOC relative to T2VOC are as follows: a multicomponent mixture of volatile organic chemicals can be modeled; any and all combinations of the three phases water-oil-gas are treated; several non-condensible gases may be present; diffusion is treated in all phases in a manner that is fully coupled with phase partitioning. This paper gives a brief summary of the methodology used in TMVOC as well as highlighting some implementation issues. Simulation of a NAPL spill and subsequent remediation is discussed for a 2-D vertical section of a saturated-unsaturated flow problem.

  2. Graphene synthesized on porous silicon for active electrode material of supercapacitors

    Science.gov (United States)

    Su, B. B.; Chen, X. Y.; Halvorsen, E.

    2016-11-01

    We present graphene synthesized by chemical vapour deposition under atmospheric pressure on both porous nanostructures and flat wafers as electrode scaffolds for supercapacitors. A 3nm thin gold layer was deposited on samples of both porous and flat silicon for exploring the catalytic influence during graphene synthesis. Micro-four-point probe resistivity measurements revealed that the resistivity of porous silicon samples was nearly 53 times smaller than of the flat silicon ones when all the samples were covered by a thin gold layer after the graphene growth. From cyclic voltammetry, the average specific capacitance of porous silicon coated with gold was estimated to 267 μF/cm2 while that without catalyst layer was 145μF/cm2. We demonstrated that porous silicon based on nanorods can play an important role in graphene synthesis and enable silicon as promising electrodes for supercapacitors.

  3. Epitaxial Growth of High-Quality Silicon Films on Double-Layer Porous Silicon

    Institute of Scientific and Technical Information of China (English)

    黄宜平; 竺士炀; 李爱珍; 王瑾; 黄靖云; 叶志镇

    2001-01-01

    The epitaxial growth of a high-quality silicon layer on double-layer porous silicon by ultra-high vacuum/chemical vapour deposition has been reported. The two-step anodization process results in a double-layer porous silicon structure with a different porosity. This double-layer porous silicon structure and an extended low-temperature annealing in a vacuum system was found to be helpful in subsequent silicon epitaxial growth. X-ray diffraction,cross-sectional transmission electron microscopy and spreading resistance testing were used in this work to study the properties of epitaxial silicon layers grown on the double-layer porous silicon. The results show that the epitaxial silicon layer is of good crystallinity and the same orientation with the silicon substrate and the porous silicon layer.

  4. Rate of Convergence of Phase Field Equations in Strongly Heterogeneous Media towards their Homogenized Limit

    CERN Document Server

    Schmuck, Markus; Kalliadasis, Serafim

    2013-01-01

    We study phase field equations based on the diffuse-interface approximation of general homogeneous free energy densities showing different local minima of possible equilibrium configurations in perforated/porous domains. The study of such free energies in homogeneous environments found a broad interest over the last decades and hence is now widely accepted and applied in both science and engineering. Here, we focus on strongly heterogeneous materials with perforations such as porous media. To the best of our knowledge, we present a general formal derivation of upscaled phase field equations for arbitrary free energy densities and give a rigorous justification by error estimates for a broad class of polynomial free energies. The error between the effective macroscopic solution of the new upscaled formulation and the solution of the microscopic phase field problem is of order $\\epsilon^1/2$ for a material given characteristic heterogeneity $\\epsilon$. Our new, effective, and reliable macroscopic porous media fo...

  5. Pore scale heterogeneity in the mineral distribution and reactive surface area of rocks

    Science.gov (United States)

    Lai, P. E.; Krevor, S. C.

    2013-12-01

    There are long-standing challenges in characterizing reactive transport in porous media at scales larger than individual pores. This hampers the prediction of the field-scale impact of geochemical processes on fluid flow [1]. This is a source of uncertainty for CO2 injection, which results in a reactive fluid-rock system, particularly in carbonate rock reservoirs. A potential cause is the inability of the continuum approach to incorporate the impact of heterogeneity in pore-scale reaction rates. This results in part from pore-scale heterogeneities in surface area of reactive minerals [2,3]. In this study we have created μm resolution 3D images of 3 sandstone and 4 carbonate rocks using x-ray microtomography. Using in-house image processing techniques and auxiliary characterisation with thin section, electron microscope and spectroscopic techniques we quantified the surface area of each mineral phase in the x-ray CT images. This quantification was validated against N2 BET surface area and He porosity measurements of the imaged samples. Distributions in reactive surface area for each mineral phase were constructed by calculating surface areas in thousands of randomly selected subvolume images of the total sample, each normalized to the pore volume in that image. In all samples, there is little correlation between the reactive surface area fraction and the volumetric fraction of a mineral in a bulk rock. Berea sandstone was far less heterogeneous and has a characteristic pore size at which a surface area distribution may be used to quantify heterogeneity. In carbonates, heterogeneity is more complex and surface area must be characterized at multiple length scales for an accurate description of reactive transport. [1] Maher, Steefel, Depaolo and Vianni (2006) Geochimica et Cosmochimica Acta, 70, 337-363 [2] Landrot, Ajo-Franklin, Yang, Cabrini and Steefel (2012) Chemical Geology 318-319, 113-125 [3] Li, Peters and Celia (2007) American Journal of Science 307, 1146

  6. Synergistic Carbon Dioxide Capture and Conversion in Porous Materials.

    Science.gov (United States)

    Zhang, Yugen; Lim, Diane S W

    2015-08-24

    Global climate change and excessive CO2 emissions have caused widespread public concern in recent years. Tremendous efforts have been made towards CO2 capture and conversion. This has led to the development of numerous porous materials as CO2 capture sorbents. Concurrently, the conversion of CO2 into value-added products by chemical methods has also been well-documented recently. However, realizing the attractive prospect of direct, in situ chemical conversion of captured CO2 into other chemicals remains a challenge.

  7. Diffusion in porous crystalline materials

    NARCIS (Netherlands)

    Krishna, R.

    2012-01-01

    The design and development of many separation and catalytic process technologies require a proper quantitative description of diffusion of mixtures of guest molecules within porous crystalline materials. This tutorial review presents a unified, phenomenological description of diffusion inside meso-

  8. Study of formation, stabilization and properties of porous silicon and porous silica

    Science.gov (United States)

    Hecini, Mouna; Khelifa, Abdellah; Bouzid, Bachir; Drouiche, Nadjib; Aoudj, Salaheddine; Hamitouche, Houria

    2013-09-01

    The large specific surface area of porous silicon (PS) gives it a high degree of chemical surface reactivity. Formation of silicon oxide (silica, SiO2), via different oxidation methods (thermal or electrochemical) within the porous matrix turns out to be an additional factor of PS stability and an improvement of its chemical, structural, morphological, crystalline and optical properties. In this work, PS reactivity is justified by the presence of siloxane (SiOSi) and silanol (SiOH) free and bound sites. Oxidation and densification effects on mesoporous silicon layers properties were investigated. The influence of operating parameters (current density, electrolyte concentration, treatment time, temperature, and oxidizing gas) on PS morphology and oxide quality were assessed. Sample characterization was performed using FTIR, SEM, EDS, XRD and UV-Visible spectrophotometry. Our results showed that oxidation provides stabilization and chemical modification of PS specific surface by creation of SiOH and SiOSi active sites. The optical and crystalline properties are dependent on oxidation temperature. Wet thermal oxidation, preceded by a short dry oxidation under O2, followed by densification under N2, with an oxidation rate of greater than 62%, improves PS properties for a functionalization via silanization.

  9. Impact of Aquifer Heterogeneities on Autotrophic Denitrification.

    Science.gov (United States)

    McCarthy, A.; Roques, C.; Selker, J. S.; Istok, J. D.; Pett-Ridge, J. C.

    2015-12-01

    Nitrate contamination in groundwater is a big challenge that will need to be addressed by hydrogeologists throughout the world. With a drinking water standard of 10mg/L of NO3-, innovative techniques will need to be pursued to ensure a decrease in drinking water nitrate concentration. At the pumping site scale, the influence and relationship between heterogeneous flow, mixing, and reactivity is not well understood. The purpose of this project is to incorporate both physical and chemical modeling techniques to better understand