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Sample records for chemically heterogeneous porous

  1. 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.

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

    Science.gov (United States)

    Soltanian, Mohamad Reza; Ritzi, Robert W; Dai, Zhenxue; Huang, Chao Cheng

    2015-03-01

    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 of changing the mean, variance, and integral scale of K and Kd on reactive solute dispersion. PMID:25532767

  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

    to attachment. In contrast, the effects of rc and q on Sf* were diminished by hr in comparison to attachment. Colloid immobilization adjacent to macroscopic roughness locations shares many similarities to grain–grain contact points and may be viewed as a type of straining process. In general, attachment...... 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. Salt crystallisation at the surface of a heterogeneous porous medium

    OpenAIRE

    Veran-Tissoires, Stéphanie; Marcoux, Manuel; Prat, Marc

    2012-01-01

    International audience; Evaporation of saline solutions from a porous medium often leads to the precipitation of salt at the surface of the porous medium. It is commonly observed that the crystallized salt does not form everywhere at the porous medium surface but only at some specific locations. To explain this phenomenon, we consider efflorescence formation at the surface of a saturated heterogeneous porous column (finer porous medium in coarse porous medium background) in the wicking situat...

  6. 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

  7. 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.

  8. Transport of reactive solutes in heterogeneous porous formation.

    NARCIS (Netherlands)

    Bosma, W.J.P.

    1994-01-01

    Transport and spreading behaviour of reactive solutes in heterogeneous porous formations is considered. Spatial variability is modeled by assuming a random space function (RSF) for the spatially variable properties. In the available literature, the effect of random spatial variability is mostly limi

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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...

  14. Multiscaling of porous soils as heterogeneous complex networks

    Directory of Open Access Journals (Sweden)

    A. Santiago

    2008-11-01

    Full Text Available 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 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 a empirically testable signature of heterogeneity in the topology of pore networks. We also show that the power-law scaling in the degree distribution is a robust trait of the soil model and analyze the influence of the parameters on the scaling exponents. We perform a numerical analysis of the soil model for a combination of parameters corresponding to empirical samples with different properties, and show that the simulation results exhibit a good agreement with the analytical predictions.

  15. 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.

  16. 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.

  17. Pore scale heterogeneity in the mineral distribution and surface area of porous rocks

    Science.gov (United States)

    Lai, Peter; Moulton, Kevin; Krevor, Samuel

    2014-05-01

    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 carbon dioxide 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]. The objective of this study was to quantify heterogeneity in reactive surface and observe the extent of its non-normal character. In this study we describe our work in using micron-scale x-ray imaging and other spectroscopic techniques for the purpose of describing the statistical distribution of reactive surface area within a porous medium, and identifying specific mineral phases and their distribution in 3-dimensions. Using in-house image processing techniques and auxilary charactersation 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 nitrogen BET surface area and backscattered electron imaging measurements of the CT-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

  18. 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.

  19. Analytical and experimental analysis of solute transport in heterogeneous porous media.

    Science.gov (United States)

    Wu, Lei; Gao, Bin; Tian, Yuan; Muñoz-Carpena, Rafael

    2014-01-01

    Knowledge of solute transport in heterogeneous porous media is crucial to monitor contaminant fate and transport in soil and groundwater systems. In this study, we present new findings from experimental and mathematical analysis to improve current understanding of solute transport in structured heterogeneous porous media. Three saturated columns packed with different sand combinations were used to examine the breakthrough behavior of bromide, a conservative tracer. Experimental results showed that bromide had different breakthrough responses in the three types of sand combinations, indicating that heterogeneity in hydraulic conductivity has a significant effect on the solute transport in structured heterogeneous porous media. Simulations from analytical solutions of a two-domain solute transport model matched experimental breakthrough data well for all the experimental conditions tested. Experimental and model results show that under saturated flow conditions, advection dominates solute transport in both fast-flow and slow-flow domains. The sand with larger hydraulic conductivity provided a preferential flow path for solute transport (fast-flow domain) that dominates the mass transfer in the heterogeneous porous media. Importantly, the transport in the slow-flow domain and mass exchange between the domains also contribute to the flow and solute transport processes and thus must be considered when investigating contaminant transport in heterogeneous porous media. PMID:24279625

  20. 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

  1. 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

  2. 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.

  3. 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

  4. Fluid effect on wave propagation in heterogeneous porous media

    NARCIS (Netherlands)

    Vogelaar, B.B.S.A.

    2009-01-01

    Acoustic wave propagation through porous media is affected by the properties of the pore fluid and the matrix material. The acoustic velocity is extensively used for imaging of subsurface strata, and to predict petrophysical properties. In contrast, the attenuation (loss of wave energy) is not routi

  5. 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

  6. 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.

  7. 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

  8. Dynamics of Coupled Contaminant and Microbial Transport in Heterogeneous Porous Media: Purdue Component. Final report

    International Nuclear Information System (INIS)

    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

  9. 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.

  10. Initial conditions or emergence; what determines dissolution patterns in heterogeneous porous rocks?

    Science.gov (United States)

    Szymczak, Piotr; Upadhyay, Virat; Ladd, Anthony

    2016-04-01

    Dissolution of fractured or porous rocks is often accompanied by the formation of highly localized flow paths. Dissolution, in general, does not proceed uniformly, as it is influenced both by the heterogeneities in the rock matrix and by the instabilities associated with the positive feedback loops between the flow, dispersion, and chemical reactions. As a result, distinct channels or "wormholes" develop within the rocks in which both the flow and dissolution focus. In this communication, we aim to investigate how these emerging flow paths are influenced by the initial local inhomogeneities of the porosity field. Our results indicate a surprising insensitivity of the evolving dissolution patterns and flow rates to the amplitude and correlation length characterizing the inhomogeneities. At long times wormhole competition overwhelms the initial variations in aperture distribution, resulting in a universal relation between the separation of the wormholes and their length. This hierarchy of scales even persists in the presence of relatively large inhomogeneities (vugs), which focus the flow at the beginning of the dissolution process, but - if the sample is large enough - with time tend to be overwhelmed by the spontaneous growth of instabilities. A natural consequence of wormhole competition is that the separation between growing wormholes corresponds roughly to their length, something that is borne out by field observations.

  11. 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.

  12. Conversion of lignocellulose into renewable chemicals by heterogeneous catalysis

    OpenAIRE

    Kobayashi, Hirokazu; Ohta, Hidetoshi; Fukuoka, Atsushi

    2012-01-01

    Conversion of lignocellulose into renewable chemicals and fuels has received great attention for building up the sustainable societies. However, the utilisation of lignocellulose in the chemical industry has almost been limited for paper manufacturing because of the complicated chemical structure and persistent property of lignocellulose. Heterogeneous catalysis has the potential to selectively convert lignocellulosic biomasses into various useful chemicals, and this methodology has rapidly p...

  13. Theory of the Kinetics of Chemical Potentials in Heterogeneous Catalysis

    OpenAIRE

    Cheng, Jun; Hu, P

    2011-01-01

    Simple and powerful: The reaction kinetics at surfaces of heterogeneous catalysts is reformulated in terms of the involved chemical potentials. Based on this formulism, an approach of searching for good catalysts is proposed without recourse to extensive calculations of reaction barriers and detailed kinetic analyses. (see picture; R=reactant, I=surface intermediate, P=product, and =standard chemical potential).

  14. 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...

  15. 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.

  16. 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.

  17. Grayscale lattice Boltzmann model for multiphase heterogeneous flow through porous media

    Science.gov (United States)

    Pereira, Gerald G.

    2016-06-01

    The grayscale lattice Boltzmann (LB) model has been recently developed to model single-phase fluid flow through heterogeneous porous media. Flow is allowed in each voxel but the degree of flow depends on that voxel's resistivity to fluid motion. Here we extend the grayscale LB model to multiphase, immiscible flow. The new model is outlined and then applied to a number of test cases, which show good agreement with theory. This method is subsequently used to model the important case where each voxel may have a different resistance to each particular fluid that is passing through it. Finally, the method is applied to model fluid flow through real porous media to demonstrate its capability. Both the capillary and viscous flow regimes are recovered in these simulations.

  18. 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.

  19. 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.

  20. 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...... the ionic interactions by mapping the Coulombic cross-coupling between the dispersive fluxes of the charged species in the heterogeneous domains. The outcomes of this study are important in many subsurface applications including migration of contaminants and propagation of reaction fronts....

  1. Heterogeneous nucleation of ice from supercooled NaCl solution confined in porous cement paste

    Science.gov (United States)

    Zeng, Qiang; Li, Kefei; Fen-Chong, Teddy

    2015-01-01

    Clarifying the nucleation process of chloride-based deicing salt solution (e.g., NaCl solution) confined in cement-based porous materials remains an important issue to understand its detrimental effects on material substrates. In this study, the pore structures of hardened cement pastes were characterized by mercury-intrusion and nitrogen-sorption porosimetry. The ice nucleation temperature of NaCl solution of different concentrations confined in the hardened cement pastes was measured and analyzed by classical heterogeneous nucleation theory. The kinetic factor, contact-angle factor including the contact angle between ice and the substrate were evaluated. The results revealed that the contact angle between ice and the substrate showed the minimum value when adding 3% NaCl into water. The heterogeneous ice nucleation rates were found to be proportional to the water activity shifts.

  2. 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...

  3. 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

  4. 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.

  5. 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.

  6. Energy-Based Spatial Weighting Functions and Equivalent Hydraulic Conductivity in Heterogeneous Porous Media.

    Science.gov (United States)

    Molz, F. J.; Guan, J.

    2004-12-01

    To improve understanding of property measurements in heterogeneous media, an energy-based weighting function concept was developed [Molz et al., WRR, 39(4), DAN-1, 2003]. In (assumed) homogeneous media, the instrument spatial weighting function (ISWF) depends only on the energy dissipation distribution set up by the measurement procedure, and it reduces to simply inverse sample volume (uniform weighting) for the 1-D parallel flow case (ideal permeameter). For 1-D transient flow in homogeneous media, such as with slug tests, the ISWF varies with position and time, with 95% of the total weighting contained within 115 well radii, even late in the test [Molz et al., Ground Water, in press, 2004]. The present talk deals with the heterogeneous case, which is what one deals with in natural systems. Thus, in actual measurements, the identification of the ISWF is connected to the problem of determining an "equivalent" hydraulic conductivity (Ke), and it would be ideal if the criterion for "equivalence" based on energy-dissipation- rate-weighting would produce the same Ke as that based on the common permeameter test. It can be shown that for 1-D linear and radial flow in heterogeneous porous media, the energy-dissipation based Ke and the usual Ke calculated using assumed homogeneity and Darcy's law are identical. We will explore whether this same equivalence holds in general for 2-D and 3-D heterogeneity. The results to date imply that as one makes K measurements in heterogeneous media at different locations or on different cores of heterogeneous materials, the ISWF will be heterogeneity-dependent, implying that the averaging process resulting in the "equivalent" K value also varies with position. If the testing procedure is transient, then the averaging process varies also with time. This suggests a fundamental ambiguity in the interpretation of hydraulic conductivity measurements in heterogeneous media that may impact how we approach modeling and prediction in a practical

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. Investigation of flow and solute transport at the field scale through heterogeneous deformable porous media

    Science.gov (United States)

    Chang, Ching-Min; Yeh, Hund-Der

    2016-09-01

    This work describes an investigation of the spatial statistical structure of specific discharge field and solute transport process of a nonreactive solute at the field scale through a heterogeneous deformable porous medium. The flow field is driven by a vertical gradient in the excess pore water pressure induced by a step increase in load applied on the upper part of a finite-thickness aquifer. The non-stationary spectral representation is adopted to characterize the spatial covariance of the specific discharge field necessary for the development of the solute particle trajectory statistics using the Lagrangian formalism. We show that the statistics of the specific discharge and particle trajectory derived herein are non-stationary and functions of the coefficient of soil compressibility, μ. The effect of μ on the relative variation of specific discharge and the solute particle trajectory statistics are analyzed upon evaluating our expressions.

  12. 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.

  13. 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.

  14. Impact of biofilm-induced heterogeneities on solute transport in porous media

    Science.gov (United States)

    Kone, T.; Golfier, F.; Orgogozo, L.; Oltéan, C.; Lefèvre, E.; Block, J. C.; Buès, M. A.

    2014-11-01

    In subsurface systems, biofilm may degrade organic or organometallic pollutants contributing to natural attenuation and soil bioremediation techniques. This increase of microbial activity leads to change the hydrodynamic properties of aquifers. The purpose of this work was to investigate the influence of biofilm-induced heterogeneities on solute transport in porous media and more specifically on dispersivity. We pursued this goal by (i) monitoring both spatial concentration fields and solute breakthrough curves from conservative tracer experiments in a biofilm-supporting porous medium, (ii) characterizing in situ the changes in biovolume and visualizing the dynamics of the biological material at the mesoscale. A series of experiments was carried out in a flow cell system (60 cm3) with a silica sand (Φ = 50-70 mesh) as solid carrier and Shewanella oneidensis MR-1 as bacterial strain. Biofilm growth was monitored by image acquisition with a digital camera. The biofilm volume fraction was estimated through tracer experiments with the Blue Dextran macromolecule as in size-exclusion chromatography, leading to a fair picture of the biocolonization within the flow cell. Biofilm growth was achieved in the whole flow cell in 29 days and up to 50% of void space volume was plugged. The influence of biofilm maturation on porous medium transport properties was evaluated from tracer experiments using Brilliant Blue FCF. An experimental correlation was found between effective (i.e., nonbiocolonized) porosity and biofilm-affected dispersivity. Comparison with values given by the theoretical model of Taylor and Jaffé (1990b) yields a fair agreement.

  15. 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.

  16. 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)].

  17. 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"

  18. 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.

  19. 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.

  20. A new approach to tracer transport analysis: From fracture systems to strongly heterogeneous porous media

    Energy Technology Data Exchange (ETDEWEB)

    Tsang, Chin-Fu

    1989-02-01

    Many current development and utilization of groundwater resources include a study of their flow and transport properties. These properties are needed in evaluating possible changes in groundwater quality and potential transport of hazardous solutes through the groundwater system. Investigation of transport properties of fractured rocks is an active area of research. Most of the current approaches to the study of flow and transport in fractured rocks cannot be easily used for analysis of tracer transport field data. A new approach is proposed based on a detailed study of transport through a fracture of variable aperture. This is a two-dimensional strongly heterogeneous permeable system. It is suggested that tracer breakthrough curves can be analyzed based on an aperture or permeability probability distribution function that characterizes the tracer flow through the fracture. The results are extended to a multi-fracture system and can be equally applied to a strongly heterogeneous porous medium. Finally, the need for multi-point or line and areal tracer injection and observation tests is indicated as a way to avoid the sensitive dependence of point measurements on local permeability variability. 30 refs., 15 figs.

  1. 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.

  2. 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.

  3. Factors affecting gas migration and contaminant redistribution in heterogeneous porous media subject to electrical resistance heating.

    Science.gov (United States)

    Munholland, Jonah L; Mumford, Kevin G; Kueper, Bernard H

    2016-01-01

    A series of intermediate-scale laboratory experiments were completed in a two-dimensional flow cell to investigate gas production and migration during the application of electrical resistance heating (ERH) for the removal of dense non-aqueous phase liquids (DNAPLs). Experiments consisted of heating water in homogeneous silica sand and heating 270 mL of trichloroethene (TCE) and chloroform (CF) DNAPL pools in heterogeneous silica sands, both under flowing groundwater conditions. Spatial and temporal distributions of temperature were measured using thermocouples and observations of gas production and migration were collected using front-face image capture throughout the experiments. Post-treatment soil samples were collected and analyzed to assess DNAPL removal. Results of experiments performed in homogeneous sand subject to different groundwater flow rates showed that high groundwater velocities can limit subsurface heating rates. In the DNAPL pool experiments, temperatures increased to achieve DNAPL-water co-boiling, creating estimated gas volumes of 131 and 114 L that originated from the TCE and CF pools, respectively. Produced gas migrated vertically, entered a coarse sand lens and subsequently migrated laterally beneath an overlying capillary barrier to outside the heated treatment zone where 31-56% of the original DNAPL condensed back into a DNAPL phase. These findings demonstrate that layered heterogeneity can potentially facilitate the transport of contaminants outside the treatment zone by mobilization and condensation of gas phases during ERH applications. This underscores the need for vapor phase recovery and/or control mechanisms below the water table during application of ERH in heterogeneous porous media during the co-boiling stage, which occurs prior to reaching the boiling point of water. PMID:26638038

  4. Massively Parallel Geostatistical Inversion of Coupled Processes in Heterogeneous Porous Media

    Science.gov (United States)

    Ngo, A.; Schwede, R. L.; Li, W.; Bastian, P.; Ippisch, O.; Cirpka, O. A.

    2012-04-01

    The quasi-linear geostatistical approach is an inversion scheme that can be used to estimate the spatial distribution of a heterogeneous hydraulic conductivity field. The estimated parameter field is considered to be a random variable that varies continuously in space, meets the measurements of dependent quantities (such as the hydraulic head, the concentration of a transported solute or its arrival time) and shows the required spatial correlation (described by certain variogram models). This is a method of conditioning a parameter field to observations. Upon discretization, this results in as many parameters as elements of the computational grid. For a full three dimensional representation of the heterogeneous subsurface it is hardly sufficient to work with resolutions (up to one million parameters) of the model domain that can be achieved on a serial computer. The forward problems to be solved within the inversion procedure consists of the elliptic steady-state groundwater flow equation and the formally elliptic but nearly hyperbolic steady-state advection-dominated solute transport equation in a heterogeneous porous medium. Both equations are discretized by Finite Element Methods (FEM) using fully scalable domain decomposition techniques. Whereas standard conforming FEM is sufficient for the flow equation, for the advection dominated transport equation, which rises well known numerical difficulties at sharp fronts or boundary layers, we use the streamline diffusion approach. The arising linear systems are solved using efficient iterative solvers with an AMG (algebraic multigrid) pre-conditioner. During each iteration step of the inversion scheme one needs to solve a multitude of forward and adjoint problems in order to calculate the sensitivities of each measurement and the related cross-covariance matrix of the unknown parameters and the observations. In order to reduce interprocess communications and to improve the scalability of the code on larger clusters

  5. 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.

  6. Factors affecting gas migration and contaminant redistribution in heterogeneous porous media subject to electrical resistance heating

    Science.gov (United States)

    Munholland, Jonah L.; Mumford, Kevin G.; Kueper, Bernard H.

    2016-01-01

    A series of intermediate-scale laboratory experiments were completed in a two-dimensional flow cell to investigate gas production and migration during the application of electrical resistance heating (ERH) for the removal of dense non-aqueous phase liquids (DNAPLs). Experiments consisted of heating water in homogeneous silica sand and heating 270 mL of trichloroethene (TCE) and chloroform (CF) DNAPL pools in heterogeneous silica sands, both under flowing groundwater conditions. Spatial and temporal distributions of temperature were measured using thermocouples and observations of gas production and migration were collected using front-face image capture throughout the experiments. Post-treatment soil samples were collected and analyzed to assess DNAPL removal. Results of experiments performed in homogeneous sand subject to different groundwater flow rates showed that high groundwater velocities can limit subsurface heating rates. In the DNAPL pool experiments, temperatures increased to achieve DNAPL-water co-boiling, creating estimated gas volumes of 131 and 114 L that originated from the TCE and CF pools, respectively. Produced gas migrated vertically, entered a coarse sand lens and subsequently migrated laterally beneath an overlying capillary barrier to outside the heated treatment zone where 31-56% of the original DNAPL condensed back into a DNAPL phase. These findings demonstrate that layered heterogeneity can potentially facilitate the transport of contaminants outside the treatment zone by mobilization and condensation of gas phases during ERH applications. This underscores the need for vapor phase recovery and/or control mechanisms below the water table during application of ERH in heterogeneous porous media during the co-boiling stage, which occurs prior to reaching the boiling point of water.

  7. Chemical Modification of Porous Alumina for Nanowire Templating and NEXAFS Spectroscopy of Aqueous ATP

    OpenAIRE

    Kelly, Daniel Nicholas

    2010-01-01

    Part One: Chemical Modification of Porous Alumina for Nanowire Templating: A modified sol-gel technique and subsequent polymer coating technique was used to modify the size of nanowires grown via electrodeposition in porous alumina templates. The porous alumina film is initially soaked in a water-containing solution prior to exposure to a different solution of 3-aminopropyltriethoxysilane in toluene. The amount of water in the aqueous solution correlates with the thickness of silane coating ...

  8. Chemical heterogeneities in the mantle: The equilibrium thermodynamic approach

    Science.gov (United States)

    Tirone, M.; Buhre, S.; Schmück, H.; Faak, K.

    2016-02-01

    This study attempts to answer a simple and yet fundamental question in relation to our understanding of the chemical evolution of deep Earth and planetary interiors. Given two initially separate assemblages (lithologies) in chemical equilibrium can we predict the chemical and mineralogical compositions of the two assemblages when they are put together to form a new equilibrated system? Perhaps a common perception is that given sufficient time, the two assemblages will homogenize chemically and mineralogically, however from a chemical thermodynamic point of view, this is not the case. Certain petrological differences in terms of bulk composition, mineralogy and mineral abundance remain unless other processes, like melting or mechanical mixing come into play. While there is not a standard procedure to address this problem, in this study it is shown that by applying chemical thermodynamic principles and some reasonable assumptions, it is possible to determine the equilibrium composition of each of the two assemblages. Some examples that consider typical mantle rocks, peridotite, lherzolite, dunite and eclogite described by simplified chemical systems are used to illustrate the general approach. A preliminary application to evaluate the effect of melting a heterogeneous mantle in complete chemical equilibrium using a thermodynamic formulation coupled with a two-phase geodynamic model shows that major element composition of the melt product generated by different peridotites is very similar. This may explain the relative homogeneity of major elements of MORBs which could be the product of melting a relatively uniform mantle, as commonly accepted, or alternatively a peridotitic mantle with different compositions but in chemical equilibrium.

  9. 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

  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. 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.

  13. 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.

  14. Novel real function based method to construct heterogeneous porous scaffolds and additive manufacturing for use in medical engineering.

    Science.gov (United States)

    Yang, Nan; Tian, Yanling; Zhang, Dawei

    2015-11-01

    Heterogeneous porous scaffolds have important applications in biomedical engineering, as they can mimic the structures of natural tissues to achieve the corresponding properties. Here, we introduce a new and easy to implement real function based method for constructing complex, heterogeneous porous structures, including hybrid structures, stochastic structures, functionally gradient structures, and multi-scale structures, or their combinations (e.g., hybrid multi-scale structures). Based on micro-CT data, a femur-mimetic structure with gradient morphology was constructed using our method and fabricated using stereolithography. Results showed that our method could generate gradient porosity or gradient specific surfaces and be sufficiently flexible for use with micro-CT data and additive manufacturing (AM) techniques. PMID:26320819

  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. 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

    2016-06-01

    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 two-dimensional 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

  17. Practical chemical analysis of Pt and Pd based heterogeneous catalysts with hard X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Highlights: •Hard X-ray photoelectron spectroscopy (HAXPES) enables interface analysis of catalyst. •HAXPES enables overall analysis of porous film of Pt-doped CeO2 and related catalyst. •HAXPES enables analysis of trace elements for Pd and Pt3Ni nanoparticle catalysts. -- Abstract: Interfacial properties including configuration, porosity, chemical states, and atomic diffusion greatly affect the performance of supported heterogeneous catalysts. Hard X-ray photoelectron spectroscopy (HAXPES) can be used to analyze the interfaces of heterogeneous catalysts because of its large information depth of more than 20 nm. We use HAXPES to examine Pt-doped CeO2 and related thin film catalysts evaporated on Si, carbon, and carbon nanotube substrates, because Pt-doped CeO2 has great potential as a noble metal-based heterogeneous catalyst for fuel cells. The HAXPES measurements clarify that the dopant material, substrate material, and surface pretreatment of substrate are important parameters that affect the interfacial properties of Pt-doped CeO2 and related thin film catalysts. Another advantage of HAXPES measurement of heterogeneous catalysts is that it can be used for chemical analysis of trace elements by detecting photoelectrons from deep core levels, which have large photoionization cross-sections in the hard X-ray region. We use HAXPES for chemical analysis of trace elements in Pd nanoparticle catalysts immobilized on sulfur-terminated substrates and Pt3Ni nanoparticle catalysts enveloped by dendrimer molecules

  18. 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 ...

  19. Micro-PIV measurements of multiphase flow of water and supercritical CO2 in 2D heterogeneous porous micromodels

    Science.gov (United States)

    Li, Y.; Kazemifar, F.; Blois, G.; Christensen, K. T.

    2015-12-01

    Multiphase flow of water and supercritical carbon dioxide (CO2) in porous media is central to geological sequestration of CO2 into saline aquifers. However, our fundamental understanding of the coupled flow dynamics of CO2 and water in complex geologic media still remains limited, especially at the pore scale. Recently, studies have been carried out in 2D homogeneous models with the micro-PIV technique, yielding very interesting observations of pore-scale flow transport. The primary aim of this work is to leverage this experimental protocol to quantify the pore-scale flow of water and liquid/supercritical CO2 in 2D heterogeneous porous micromodels under reservoir-relevant conditions. The goal is to capture the dynamics of this multi-phase flow in a porous matrix that mimics the heterogeneity of natural rock. Fluorescent microscopy and the micro-PIV technique are employed to simultaneously measure the spatially-resolved instantaneous velocity field in the water and quantify the instantaneous spatial configuration of both phases. The results for heterogeneous micromodels will be presented and compared with those for homogeneous micromodels, yielding valuable insight into flow processes at the pore scale in natural rock.

  20. Transport and deposition of polymer-modified Fe0 nanoparticles in 2-D heterogeneous porous media: effects of particle concentration, Fe0 content, and coatings.

    Science.gov (United States)

    Phenrat, Tanapon; Cihan, Abdullah; Kim, Hye-Jin; Mital, Menka; Illangasekare, Tissa; Lowry, Gregory V

    2010-12-01

    Concentrated suspensions of polymer-modified Fe(0) nanoparticles (NZVI) are injected into heterogeneous porous media for groundwater remediation. This study evaluated the effect of porous media heterogeneity and the dispersion properties including particle concentration, Fe(0) content, and adsorbed polymer mass and layer thickness which are expected to affect the delivery and emplacement of NZVI in heterogeneous porous media in a two-dimensional (2-D) cell. Heterogeneity in hydraulic conductivity had a significant impact on the deposition of NZVI. Polymer modified NZVI followed preferential flow paths and deposited in the regions where fluid shear is insufficient to prevent NZVI agglomeration and deposition. NZVI transported in heterogeneous porous media better at low particle concentration (0.3 g/L) than at high particle concentrations (3 and 6 g/L) due to greater particle agglomeration at high concentration. High Fe(0) content decreased transport during injection due to agglomeration promoted by magnetic attraction. NZVI with a flat adsorbed polymeric layer (thickness ∼30 nm) could not be transported effectively due to pore clogging and deposition near the inlet, while NZVI with a more extended adsorbed layer thickness (i.e., ∼70 nm) were mobile in porous media. This study indicates the importance of characterizing porous media heterogeneity and NZVI dispersion properties as part of the design of a robust delivery strategy for NZVI in the subsurface. PMID:21058703

  1. An efficient distribution method for nonlinear transport problems in highly heterogeneous stochastic porous media

    Science.gov (United States)

    Ibrahima, Fayadhoi; Meyer, Daniel; Tchelepi, Hamdi

    2016-04-01

    Because geophysical data are inexorably sparse and incomplete, stochastic treatments of simulated responses are crucial to explore possible scenarios and assess risks in subsurface problems. In particular, nonlinear two-phase flows in porous media are essential, yet challenging, in reservoir simulation and hydrology. Adding highly heterogeneous and uncertain input, such as the permeability and porosity fields, transforms the estimation of the flow response into a tough stochastic problem for which computationally expensive Monte Carlo (MC) simulations remain the preferred option.We propose an alternative approach to evaluate the probability distribution of the (water) saturation for the stochastic Buckley-Leverett problem when the probability distributions of the permeability and porosity fields are available. We give a computationally efficient and numerically accurate method to estimate the one-point probability density (PDF) and cumulative distribution functions (CDF) of the (water) saturation. The distribution method draws inspiration from a Lagrangian approach of the stochastic transport problem and expresses the saturation PDF and CDF essentially in terms of a deterministic mapping and the distribution and statistics of scalar random fields. In a large class of applications these random fields can be estimated at low computational costs (few MC runs), thus making the distribution method attractive. Even though the method relies on a key assumption of fixed streamlines, we show that it performs well for high input variances, which is the case of interest. Once the saturation distribution is determined, any one-point statistics thereof can be obtained, especially the saturation average and standard deviation. Moreover, the probability of rare events and saturation quantiles (e.g. P10, P50 and P90) can be efficiently derived from the distribution method. These statistics can then be used for risk assessment, as well as data assimilation and uncertainty reduction

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

    KAUST Repository

    Efendiev, Yalchin

    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.

  3. 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

  4. 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

  5. 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. PMID:24735961

  6. 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.

  7. ELASTIC WAVEFIELD CALCULATION FOR HETEROGENEOUS ANISOTROPIC POROUS MEDIA USING THE 3-D IRREGULAR-GRID FINITE-DIFFERENCE

    Institute of Scientific and Technical Information of China (English)

    SunWeitao; YangHuizhu

    2003-01-01

    Based on the first-order Biot-equation with simplified coefficients, a staggered irregular-grid finite difference method (FDM) is developed to simulate elastic wave propagation in 3-D heterogeneous anisotropic porous media. The ‘slow' P wave in porous media wave simulation is highly dispersive. Finer grids are needed to get a precise wavefield calculation for models with curved interface and complex geometric structure. Fine grids in a global model greatly increase computation costs of regular grids scheme. Irregular fine or coarse grids in local fields not only cost less computing time than the conventional velocity-stress FDM, but also give a more accurate wavefield description. A dispersion analysis of the irregular-grid finite difference operator has confirmed the stability and high efficiency. The absorbing boundary condition is used to eliminate artificial reflections. Numerical examples show that this new irregular-grid finite difference method is of higher performance than conventional methods using regular rectangular grids in simulating elastic wave propagation in heterogeneous anisotropic porous media.

  8. Theory of water desalination by porous electrodes with fixed chemical charge

    OpenAIRE

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

    2015-01-01

    Water desalination by capacitive deionization (CDI) is performed via electrochemical cells consisting of two porous carbon electrodes. Upon transferring charge from one electrode to the other, ions are removed from the feedwater by electrosorption into electrical double layers (EDLs) within the micropores of the porous carbon. When using electrodes containing fixed chemical charge in the micropores, various counterintuitive observations have been made, such as "inverted CDI" where upon chargi...

  9. 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

  10. 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.

  11. Recognition and repair of chemically heterogeneous structures at DNA ends.

    Science.gov (United States)

    Andres, Sara N; Schellenberg, Matthew J; Wallace, Bret D; Tumbale, Percy; Williams, R Scott

    2015-01-01

    Exposure to environmental toxicants and stressors, radiation, pharmaceutical drugs, inflammation, cellular respiration, and routine DNA metabolism all lead to the production of cytotoxic DNA strand breaks. Akin to splintered wood, DNA breaks are not "clean." Rather, DNA breaks typically lack DNA 5'-phosphate and 3'-hydroxyl moieties required for DNA synthesis and DNA ligation. Failure to resolve damage at DNA ends can lead to abnormal DNA replication and repair, and is associated with genomic instability, mutagenesis, neurological disease, ageing and carcinogenesis. An array of chemically heterogeneous DNA termini arises from spontaneously generated DNA single-strand and double-strand breaks (SSBs and DSBs), and also from normal and/or inappropriate DNA metabolism by DNA polymerases, DNA ligases and topoisomerases. As a front line of defense to these genotoxic insults, eukaryotic cells have accrued an arsenal of enzymatic first responders that bind and protect damaged DNA termini, and enzymatically tailor DNA ends for DNA repair synthesis and ligation. These nucleic acid transactions employ direct damage reversal enzymes including Aprataxin (APTX), Polynucleotide kinase phosphatase (PNK), the tyrosyl DNA phosphodiesterases (TDP1 and TDP2), the Ku70/80 complex and DNA polymerase β (POLβ). Nucleolytic processing enzymes such as the MRE11/RAD50/NBS1/CtIP complex, Flap endonuclease (FEN1) and the apurinic endonucleases (APE1 and APE2) also act in the chemical "cleansing" of DNA breaks to prevent genomic instability and disease, and promote progression of DNA- and RNA-DNA damage response (DDR and RDDR) pathways. Here, we provide an overview of cellular first responders dedicated to the detection and repair of abnormal DNA termini. PMID:25111769

  12. 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.

  13. 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

  14. 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

  15. 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.

  16. Gravity-destabilized nonwetting phase invasion in macro-heterogeneous porous media: Experimental observations of invasion dynamics and scale analysis

    Energy Technology Data Exchange (ETDEWEB)

    GLASS JR.,ROBERT J.; CONRAD,STEPHEN H.; PEPLINSKI,WILLIAM J.

    1999-02-16

    The authors designed and conducted experiments in a heterogeneous sand pack where gravity-destabilized nonwetting phase invasion (CO{sub 2} and TCE) could be recorded using high resolution light transmission methods. The heterogeneity structure was designed to be reminiscent of fluvial channel lag cut-and-fill architecture and contain a series of capillary barriers. As invasion progressed, nonwetting phase structure developed a series of fingers and pools; behind the growing front they found nonwetting phase saturation to pulsate in certain regions when viscous forces were low. Through a scale analysis, they derive a series of length scales that describe finger diameter, pool height and width, and regions where pulsation occurs within a heterogeneous porous medium. In all cases, they find that the intrinsic pore scale nature of the invasion process and resulting structure must be incorporated into the analysis to explain experimental results. The authors propose a simple macro-scale structural growth model that assembles length scales for sub-structures to delineate nonwetting phase migration from a source into a heterogeneous domain. For such a model applied at the field scale for DNAPL migration, they expect capillary and gravity forces within the complex subsurface lithology to play the primary roles with viscous forces forming a perturbation on the inviscid phase structure.

  17. 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.

  18. 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.

  19. Eulerian Lagrangian Adaptive Fup Collocation Method for solving the conservative solute transport in heterogeneous porous media

    Science.gov (United States)

    Gotovac, Hrvoje; Srzic, Veljko

    2014-05-01

    linear system on adaptive grid because each Fup coefficient is obtained by predefined formulas equalizing Fup expansion around corresponding collocation point and particular collocation operator based on few surrounding solution values. Furthermore, each Fup coefficient can be obtained independently which is perfectly suited for parallel processing. Adaptive grid in each time step is obtained from solution of the last time step or initial conditions and advective Lagrangian step in the current time step according to the velocity field and continuous streamlines. On the other side, we implement explicit stabilized routine SERK2 for dispersive Eulerian part of solution in the current time step on obtained spatial adaptive grid. Overall adaptive concept does not require the solving of large linear systems for the spatial and temporal approximation of conservative transport. Also, this new Eulerian-Lagrangian-Collocation scheme resolves all mentioned numerical problems due to its adaptive nature and ability to control numerical errors in space and time. Proposed method solves advection in Lagrangian way eliminating problems in Eulerian methods, while optimal collocation grid efficiently describes solution and boundary conditions eliminating usage of large number of particles and other problems in Lagrangian methods. Finally, numerical tests show that this approach enables not only accurate velocity field, but also conservative transport even in highly heterogeneous porous media resolving all spatial and temporal scales of concentration field.

  20. Biomimetic Deposition of Apatite on Surface Chemically Modified Porous NiTi Shapememory Alloy

    Science.gov (United States)

    Wu, S. L.; Liu, X. M.; Chung, C. Y.; Chu, Paul K.; Chan, Y. L.; Yeung, K. W. K.; Chu, C. L.

    Porous NiTi shape memory alloy (SMA) with 48% porosity and an average pore size of 50-800 μm was synthesized by capsule-free hot isostatic pressing (CF-HIP). To enhance the surface bioactivity, the porous NiTi SMA was subjected to H2O2 and subsequent NaOH treatment. Scanning electron microscopy, X-ray diffraction, and X-ray photoelectron spectroscopy analyses revealed that a porous sodium titanate (Na2TiO3) film had formed on the surface of the porous NiTi SMA. An apatite layer was deposited on this film after immersion in simulated body fluid at 37°C, while no apatite could be found on the surface of the untreated porous NiTi SMA. The formation of the apatite layer infers that the bioactivity of the porous NiTi SMA may be enhanced by surface chemical treatment, which is favorable for its application as bone implants.

  1. Stability analysis of non-inertial thin film flow over a heterogeneously heated porous substrate

    Science.gov (United States)

    Kumawat, Tara Chand; Tiwari, Naveen

    2016-02-01

    The dynamics and linear stability of a gravity drive thin film flowing over non-uniformly heated porous substrate are studied. A governing equation for the evolution of film-thickness is derived within the lubrication approximation. Darcy-Brinkman equation is used to model flow in the porous medium along with a tangential stress-jump condition at the interface of the porous layer and the fluid film. A temperature profile is imposed at the solid wall to model an embedded heater beneath the porous layer. At the upstream edge of the heater, an opposing thermocapillary stress at the liquid-air interface leads to the formation of a thermocapillary ridge. The ridge becomes unstable beyond a critical Marangoni number leading to the formation of rivulets that are periodic in the spanwise direction. Increase in the values of parameters such as Darcy number, stress jump coefficient, and porosity is shown to have stabilizing effect on the film dynamics. The critical Marangoni number is shown to increase monotonically with Darcy number for various values of porosity. At large values of stress-jump coefficient, a non-monotonic variation in critical Marangoni number versus Darcy number is shown. A correlation is developed numerically for the ratio of critical Marangoni number at large Darcy number to that for a non-porous substrate as a function of porosity and thickness of the porous substrate. A transient growth analysis is carried out followed by non-linear stability analysis. The non-modal growth is found to be negligible thus indicating that the eigenvalues are physically determinant.

  2. 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,

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

    International Nuclear Information System (INIS)

    Highlights: ► Polymeric scaffolds, made from chitosan-based films fixed by chemical (citrate) or natural method (genipin), were developed. ► Nano-indentation with a constant harmonic frequency was applied on porous scaffolds to explore their surface mechanics. ► The relationship between surface mechanical property and cell-surface interactions of scaffold materials was demonstrated. ► 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 ≈2.325 GPa, which is significantly higher than that of an uncross-linked one (≈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.

  4. 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.

  5. 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...

  6. 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

  7. High-resolution Monte Carlo simulation of flow and conservative transport in heterogeneous porous media 2. Transport results

    Science.gov (United States)

    Naff, R.L.; Haley, D.F.; Sudicky, E.A.

    1998-01-01

    In this, the second of two papers concerned with the use of numerical simulation to examine flow and transport parameters in heterogeneous porous media via Monte Carlo methods, results from the transport aspect of these simulations are reported on. Transport simulations contained herein assume a finite pulse input of conservative tracer, and the numerical technique endeavors to realistically simulate tracer spreading as the cloud moves through a heterogeneous medium. Medium heterogeneity is limited to the hydraulic conductivity field, and generation of this field assumes that the hydraulic- conductivity process is second-order stationary. Methods of estimating cloud moments, and the interpretation of these moments, are discussed. Techniques for estimation of large-time macrodispersivities from cloud second-moment data, and for the approximation of the standard errors associated with these macrodispersivities, are also presented. These moment and macrodispersivity estimation techniques were applied to tracer clouds resulting from transport scenarios generated by specific Monte Carlo simulations. Where feasible, moments and macrodispersivities resulting from the Monte Carlo simulations are compared with first- and second-order perturbation analyses. Some limited results concerning the possible ergodic nature of these simulations, and the presence of non- Gaussian behavior of the mean cloud, are reported on as well.

  8. Heterogeneously Catalysed Chemical Reactions in Carbon Dioxide Medium

    OpenAIRE

    Musko, Nikolai E.; Grumwaldt, Jan-Dierk; Jensen, Anker Degn; Kontogeorgis, Georgios

    2013-01-01

    I dette Ph.D.-studium blev de forskellige kemiteknikområder - heterogen katalyse, superkritiske væsker og faseligevægtstermodynamik bragt sammen for udvalgte reaktioner. For at udnytte de gavnlige egenskaber af superkritiske væsker i heterogen katalyse blev eksperimentelle studier af katalytiske kemiske reaktioner i tæt og superkritisk kuldioxid suppleret med teoretiske beregninger af faseligevægte ved hjælp af avancerede termodynamiske modeller.I de seneste år er bruget af komprimeret kuldio...

  9. 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.

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

    International Nuclear Information System (INIS)

    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, NOx, Clx, HCl, N2O5, ClONO2 are calculated

  11. Heterogeneous nucleation of ice from supercooled NaCl solution confined in porous cement paste

    OpenAIRE

    Zeng, Qiang; Li, Kefei; FEN CHONG, Teddy

    2015-01-01

    Clarifying the nucleation process of chloride-based deicing salt solution (e.g., NaCl solution) confined in cement-based porous materials remains an important issue to understand its detrimental effects on material substrates. In this study, the pore structures of hardened cement pastes were characterized by mercury-intrusion and nitrogen-sorption porosimetry. The ice nucleation temperature of NaCl solution of different concentrations confined in the hardened cement pastes was measured and an...

  12. 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.

  13. 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.

  14. 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.

  15. Heterogeneous Catalytic Conversion of Biobased Chemicals into Liquid Fuels in the Aqueous Phase.

    Science.gov (United States)

    Wu, Kejing; Wu, Yulong; Chen, Yu; Chen, Hao; Wang, Jianlong; Yang, Mingde

    2016-06-22

    Different biobased chemicals are produced during the conversion of biomass into fuels through various feasible technologies (e.g., hydrolysis, hydrothermal liquefaction, and pyrolysis). The challenge of transforming these biobased chemicals with high hydrophilicity is ascribed to the high water content of the feedstock and the inevitable formation of water. Therefore, aqueous-phase processing is an interesting technology for the heterogeneous catalytic conversion of biobased chemicals. Different reactions, such as dehydration, isomerization, aldol condensation, ketonization, and hydrogenation, are applied for the conversion of sugars, furfural/hydroxymethylfurfural, acids, phenolics, and so on over heterogeneous catalysts. The activity, stability, and reusability of the heterogeneous catalysts in water are summarized, and deactivation processes and several strategies are introduced to improve the stability of heterogeneous catalysts in the aqueous phase. PMID:27158985

  16. Upscaling of Heterogeneous Porous Rocks Using High Resolution Hydrogeophysical Scanning Measurements

    Science.gov (United States)

    Bussod, G. Y.; Svyatskiy, D.; Zyvoloski, G.; Boitnott, G. N.; Lichtner, P. C.; Moulton, J. D.

    2009-12-01

    This research is part of a DOE SBIR project that combines physical properties measurements on consolidated and unconsolidated subsurface lithologies, with numerical and effective media models that describe subsurface contaminant flow and transport. This paper presents results from an application of a new high-resolution methodology for the laboratory characterization of hydrogeophysical properties on core and field samples. The methodology is used to constrain contaminant flow and transport models for both unsaturated and saturated subsurface conditions. Spatially integrated fine-scale scanning (mm-cm resolution) of permeabilities, ultrasonic velocities and electrical conductivities on core and field samples are used to quantify heterogeneities at the smallest continuum scale. Through application of numerical and effective medium upscaling techniques, the scans provide a means to assign hydrogeophysical properties and model parameters at scales more appropriate to field applications, while preserving the physical influence of fine scale heterogeneities that cannot be explicitly modeled. The methodology is being applied to several contaminated DOE sites at LANL, NM, Hanford, WA and Rifle, CO. We illustrate that fine- and meso- scale heterogeneities (mm-m) can cause significant saturation dependent anisotropy in hydrogeophysical properties (e.g., electrical conductivity and relative permeability). These effects are captured in our upscaling methodology to provide more accurate model parameters used in representation of the contaminated subsurface. Through a series of examples, we show how quantification of the fine scale heterogeneities of a particular flow unit can be used to constrain upscaled model properties at the meter scale. We show that as a result of these heterogeneities, the change in scale from centimeters to meters requires a change in character of the capillary pressure / relative permeability relationships. As an example, we find that after applying

  17. 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)

  18. Contaminant degradation in physically and chemically heterogeneous aquifers.

    Science.gov (United States)

    Cunningham, Jeffrey A; Fadel, Ziad J

    2007-12-01

    This paper examines the importance of the correlation between hydraulic conductivity (K) and degradation rate constant (k) during the transport of reactive contaminants in heterogeneous aquifers. We simulated reactive transport in an ensemble of two-dimensional heterogeneous aquifers. Two sets of transport simulations were conducted: one in which a perfect positive correlation was assumed between ln(K) and ln(k), and one in which a perfect negative correlation was assumed. We found that the sign of the correlation has important consequences for the contaminant transport. Qualitatively, a negative correlation leads to significantly more pronounced "fingering" of the contaminant plume than does a positive correlation, with potentially important consequences for downgradient receptors. Quantitatively, the expected behavior (as quantified by the contaminant mass remaining in the aquifer) is statistically different between the positive and negative cases: on average, more contaminant mass persists when K and k are negatively correlated. Also, the negative correlation leads to more variability between realizations of the ensemble, whereas a positive correlation induces relatively little variability between realizations. We discuss the implications of these findings for the management of contaminated aquifers. PMID:17854951

  19. 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.

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

    International Nuclear Information System (INIS)

    Injection of anthropogenic carbon dioxide (CO2) into geological formations is a promising approach to reduce greenhouse gas emissions into the atmosphere. Predicting the amount of CO2 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 (Snw) 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 Snw. In either pore networks, the specific interfacial length is linearly proportional to Snw 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 Snw for either favorable (M ≥ 1) or unfavorable (M < 1) displacement, and the slope is slightly higher for the unfavorable displacement

  1. 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.

  2. 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.

  3. Experiment and theory for heterogeneous nucleation of protein crystals in a porous medium

    Science.gov (United States)

    Chayen, Naomi E.; Saridakis, Emmanuel; Sear, Richard P.

    2006-01-01

    The determination of high-resolution structures of proteins requires crystals of suitable quality. Because of the new impetus given to structural biology by structural genomics/proteomics, the problem of crystallizing proteins is becoming increasingly acute. There is therefore an urgent requirement for the development of new efficient methods to aid crystal growth. Nucleation is the crucial step that determines the entire crystallization process. Hence, the holy grail is to design a "universal nucleant," a substrate that induces the nucleation of crystals of any protein. We report a theory for nucleation on disordered porous media and its experimental testing and validation using a mesoporous bioactive gel-glass. This material induced the crystallization of the largest number of proteins ever crystallized using a single nucleant. The combination of the model and the experimental results opens up the scope for the rational design of nucleants, leading to alternative means of controlling crystallization. protein crystallization | phase diagram | microbatch | vapor diffusion

  4. 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.

  5. 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...

  6. Discontinuous approximation of viscous two-phase flow in heterogeneous porous media

    Science.gov (United States)

    Bürger, Raimund; Kumar, Sarvesh; Sudarshan Kumar, Kenettinkara; Ruiz-Baier, Ricardo

    2016-09-01

    Runge-Kutta Discontinuous Galerkin (RKDG) and Discontinuous Finite Volume Element (DFVE) methods are applied to a coupled flow-transport problem describing the immiscible displacement of a viscous incompressible fluid in a non-homogeneous porous medium. The model problem consists of nonlinear pressure-velocity equations (assuming Brinkman flow) coupled to a nonlinear hyperbolic equation governing the mass balance (saturation equation). The mass conservation properties inherent to finite volume-based methods motivate a DFVE scheme for the approximation of the Brinkman flow in combination with a RKDG method for the spatio-temporal discretization of the saturation equation. The stability of the uncoupled schemes for the flow and for the saturation equations is analyzed, and several numerical experiments illustrate the robustness of the numerical method.

  7. Chemical synthesis of porous web-structured CdS thin films for photosensor applications

    International Nuclear Information System (INIS)

    The photo-activity of chemically deposited cadmium sulphide (CdS) thin film has been studied. The simple chemical route nucleates the CdS films with size up to the mean free path of the electron. Growth Kinematics of crystalline hexagonal CdS phase in the thin film form was monitored using X-ray diffraction. The time limitation set for the formation of the amorphous/nano-crystalline material is 40 and 60 min. Thereafter enhancement of the crystalline orientation along the desired plane was identified. Web-like porous structured surface morphology of CdS thin film over the entire area is observed. With decrease in synthesis time, increase of band gap energy i.e., a blue spectral shift was seen. The activation energy of CdS thin film at low and high temperature region was examined. It is considered that this activation energy corresponds to the donor levels associated with shallow traps or surface states of CdS thin film. The photo-electrochemical performance of CdS thin films in polysulphide electrolyte showed diode-like characteristics. Exposure of light on the CdS electrode increases the photocurrent. This suggests the possibility of production of free carriers via excited ions and also the light harvesting mechanism due to porous web-structured morphology. These studies hint that the obtained CdS films can work as a photosensor. - Highlights: • Photoactivity of chemically synthesized cadmium sulphide (CdS) thin films was studied. • Web-like porous structured surface morphology of CdS thin film over the entire area was observed. • Blue spectral shift with lowering of the synthesis time suggests films can act as a window layer over the absorber layer. • Porous web-structured CdS thin films can be useful in light harvesting

  8. 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...

  9. 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.

  10. 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...

  11. Flow over and within large-scale porous topography: Impact of surface heterogeneity on turbulence structure

    Science.gov (United States)

    Hamed, Ali M.; Ranjan, Prateek; Sadowski, Matthew J.; Nepf, Heidi M.; Chamorro, Leonardo P.

    2015-11-01

    An experimental investigation of the flow within and above model canopies was carried out to determine the effect of canopy height heterogeneity on the structure and spatial distribution of the turbulence. Two 800 mm long models with 20% blockage were placed in a 2.5 m long refractive-index-matching channel. The first model (base case) is constituted of equal height (h) square bar elements arranged in a staggered configuration. The other model bars had two heights (h +1/3h and h-1/3h) alternated every two rows. Particle image velocimetry was used to map the flow field at three locations spanning the length of the canopy under three confinement ratios H/h =2, 3, and 4, where H is the free surface height. The experiments were performed at Reynolds number ReH = 6800 , 10200, and 13600. Refractive index matching renders the canopy invisible and grants full optical access allowing the flow field within the canopy to be measured by PIV. Turbulence statistics complemented with POD, quadrant analysis, and LES decomposition reveal the distinctive effect of the height heterogeneity on the shear layer that forms on top of the canopy, and on the free flow over the canopies.

  12. Effects of heterogeneous porous geology on ground-water flow and transport modeling in multiaquifer systems

    Energy Technology Data Exchange (ETDEWEB)

    Stephenson, D.E.; Duffield, G.M.; Buss, D.R.; Wadsworth, T.D.

    1989-01-01

    A three-dimensional model was used to investigate the influence of simple heterogeneities and discontinuities in an acquitard on ground-water flow and transport in a 17 mi/sup 2/ region of Savannah River Plant (SRP) where geologic and hydrologic control exists. Simple ''holes'' and faults in the confining bed were studied. These features produced variations in the distribution of hydraulic heads that could be difficult to detect without closely spaced monitoring wells in the vicinity of the feature. In terms of solute transport, however, significant changes in flow directions and rates resulted from the presence of the feature. The simulations showed that such heterogeneities and discontinuities can reverse flow directions near the feature and significantly reduce contaminant travel times to lower aquifers. The results of these model simulations indicate the importance of adequate geologic control for the accurate prediction of ground-water flowpaths in multiaquifer systems with implications for ground-water monitoring strategies, remedial system design, and risk assessments. 18 refs., 18 figs.

  13. 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.

  14. Field-scale experiments of unsaturated flow and solute transport in a heterogeneous porous medium

    Science.gov (United States)

    Nichol, Craig; Smith, Leslie; Beckie, Roger

    2005-05-01

    A multiyear flow and conservative tracer test has been carried out in unsaturated mine waste rock to examine the physical mechanisms by which water moves through this coarse, heterogeneous, granular material. The experimental system has a footprint of 8 m × 8 m, is 5 m high, and is built on a contiguous grid of 16 zero-tension lysimeters. A chloride tracer was applied during a single rainfall event. Subsequently, the system has been subject to both natural and applied rainfall events in which no further tracer was added. Water flow and tracer transport is monitored using in situ measurements of moisture content, matric suction, and soil water solution samplers. Results demonstrate for transient infiltration conditions the influence and interaction of matrix flow in a heterogeneous granular matrix, preferential flow in macropores, and noncapillary pathways. Tracer migration through preferential flow paths dominates the initial and peak breakthrough concentrations. Point measurements of tracer concentration from in situ solution samplers yield a relatively poor indication of the flux-averaged transport of mass that is recorded at the base of the experiment, in addition to overestimating the stored mass and underestimating residence time.

  15. Contaminant tailing in highly heterogeneous porous formations: Sensitivity on model selection and material properties

    Science.gov (United States)

    Maghrebi, Mahdi; Jankovic, Igor; Weissmann, Gary S.; Matott, L. Shawn; Allen-King, Richelle M.; Rabideau, Alan J.

    2015-12-01

    Coupled impacts of slow advection, diffusion and sorption were investigated using two heterogeneity models that differ in structure and in the mathematical framework that was used to simulate flow and transport and to quantify contaminant tailing. Both models were built using data from a highly heterogeneous exposure of the Borden Aquifer at a site located 2 km north-west of the Stanford-Waterloo experimental site at Canadian Forces Base Borden, Ontario, Canada. The inclusions-based model used a simplified representation of the different materials found at the site, while the second model was based on transitional probability geostatistics of the formation. These two models were used to investigate sensitivity of contaminant tailing on model selection and on geometric and material properties. While simulations were based on data collected at Borden, models were exercised beyond the geometric and material properties that characterize the site. Various realizations have identified very low conductive silty clay, found at volume fraction of 23.4%, as the material with dominant influence on tailing, and vertical diffusion in and out of low conductive units, affected by sorption, as the dominant transport mechanism causing tailing. The two models yielded almost identical transport results when vertical correlation lengths of silty clay were matched. Several practical implications relevant for characterization of low conductive units were identified and briefly discussed.

  16. 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

  17. 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)

  18. 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.

  19. To Model Chemical Reactivity in Heterogeneous Emulsions, Think Homogeneous Microemulsions.

    Science.gov (United States)

    Bravo-Díaz, Carlos; Romsted, Laurence Stuart; Liu, Changyao; Losada-Barreiro, Sonia; Pastoriza-Gallego, Maria José; Gao, Xiang; Gu, Qing; Krishnan, Gunaseelan; Sánchez-Paz, Verónica; Zhang, Yongliang; Dar, Aijaz Ahmad

    2015-08-25

    Two important and unsolved problems in the food industry and also fundamental questions in colloid chemistry are how to measure molecular distributions, especially antioxidants (AOs), and how to model chemical reactivity, including AO efficiency in opaque emulsions. The key to understanding reactivity in organized surfactant media is that reaction mechanisms are consistent with a discrete structures-separate continuous regions duality. Aggregate structures in emulsions are determined by highly cooperative but weak organizing forces that allow reactants to diffuse at rates approaching their diffusion-controlled limit. Reactant distributions for slow thermal bimolecular reactions are in dynamic equilibrium, and their distributions are proportional to their relative solubilities in the oil, interfacial, and aqueous regions. Our chemical kinetic method is grounded in thermodynamics and combines a pseudophase model with methods for monitoring the reactions of AOs with a hydrophobic arenediazonium ion probe in opaque emulsions. We introduce (a) the logic and basic assumptions of the pseudophase model used to define the distributions of AOs among the oil, interfacial, and aqueous regions in microemulsions and emulsions and (b) the dye derivatization and linear sweep voltammetry methods for monitoring the rates of reaction in opaque emulsions. Our results show that this approach provides a unique, versatile, and robust method for obtaining quantitative estimates of AO partition coefficients or partition constants and distributions and interfacial rate constants in emulsions. The examples provided illustrate the effects of various emulsion properties on AO distributions such as oil hydrophobicity, emulsifier structure and HLB, temperature, droplet size, surfactant charge, and acidity on reactant distributions. Finally, we show that the chemical kinetic method provides a natural explanation for the cut-off effect, a maximum followed by a sharp reduction in AO efficiency with

  20. Metal transport and chemical heterogeneity in early star forming systems

    Science.gov (United States)

    Ritter, Jeremy S.; Sluder, Alan; Safranek-Shrader, Chalence; Milosavljević, Miloš; Bromm, Volker

    2015-08-01

    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 exploding in close succession. Overall, supernova ejecta are highly inhomogeneously dispersed 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 centres of the dark matter haloes. Partial turbulent homogenization on scales resolved in the simulation is observed only in the densest clouds where 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 cloud have gone into gravitational collapse, we predict that the abundances in second-generation stars will be deficient in the innermost mass shells of the supernova (if only one has exploded) or in the ejecta of the latest supernovae (when multiple have exploded). This indicates that hydrodynamics gives rise to biases complicating the identification of nucleosynthetic sources in the chemical abundance spaces of the surviving stars.

  1. Heterogeneously Catalysed Chemical Reactions in Carbon Dioxide Medium

    DEFF Research Database (Denmark)

    Musko, Nikolai E.

    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...... useful for the phase behaviour investigations. The direct synthesis of dimethyl carbonate from methanol and CO2 has been investigated for quite a long time, however hardly any sufficiently active catalysts have been found so far. Nevertheless, optimisation of the phase equilibria of the reaction mixture...... 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...

  2. 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...

  3. 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.

  4. 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.

  5. High-resolution monte carlo simulation of flow and conservative transport in heterogeneous porous media 1. Methodology and flow results

    Science.gov (United States)

    Naff, R.L.; Haley, D.F.; Sudicky, E.A.

    1998-01-01

    In this, the first of two papers concerned with the use of numerical simulation to examine flow and transport parameters in heterogeneous porous media via Monte Carlo methods, Various aspects of the modelling effort are examined. In particular, the need to save on core memory causes one to use only specific realizations that have certain initial characteristics; in effect, these transport simulations are conditioned by these characteristics. Also, the need to independently estimate length Scales for the generated fields is discussed. The statistical uniformity of the flow field is investigated by plotting the variance of the seepage velocity for vector components in the x, y, and z directions. Finally, specific features of the velocity field itself are illuminated in this first paper. In particular, these data give one the opportunity to investigate the effective hydraulic conductivity in a flow field which is approximately statistically uniform; comparisons are made with first- and second-order perturbation analyses. The mean cloud velocity is examined to ascertain whether it is identical to the mean seepage velocity of the model. Finally, the variance in the cloud centroid velocity is examined for the effect of source size and differing strengths of local transverse dispersion.

  6. 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.

  7. Spectral Quasi-linearization Method for Homogeneous-Heterogeneous Reactions on Nonlinear Convection Flow of Micropolar Fluid Saturated Porous Medium with Convective Boundary Condition

    Science.gov (United States)

    RamReddy, Chetteti; Pradeepa, Teegala

    2016-05-01

    Based on the nonlinear variation of density with temperature (NDT) in the buoyancy term, the mixed convection flow along a vertical plate of a micropolar fluid saturated porous medium is considered. In addition, the effect of homogeneous-heterogeneous reaction and convective boundary condition has been taken into account. Using lie scaling group transformations, the similarity representation is attained for the system of partial differential equations, prior to being solved by a spectral quasilinearization method. The results show that in the presence of aiding and opposing flow situations, both the species concentration and mass transfer rate decreases when the strength of homogeneous and heterogeneous reaction parameters are enhanced.

  8. 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.

  9. Surface modification of porous poly(tetrafluoraethylene) film by a simple chemical oxidation treatment

    Energy Technology Data Exchange (ETDEWEB)

    Wang Shifang; Li Juan [State Key Laboratory of Mould Technology, Department of Materials Science and Engineering, Huazhong University of Science and Technology, Luo-Yu Road 1037, Wuhan, Hubei 430074 (China); Suo Jinping, E-mail: jpsuo@yahoo.com.cn [State Key Laboratory of Mould Technology, Department of Materials Science and Engineering, Huazhong University of Science and Technology, Luo-Yu Road 1037, Wuhan, Hubei 430074 (China); Luo Tianzhi [State Key Laboratory of Mould Technology, Department of Materials Science and Engineering, Huazhong University of Science and Technology, Luo-Yu Road 1037, Wuhan, Hubei 430074 (China)

    2010-01-15

    A simple, inexpensive and environmental chemical treatment process, i.e., treating porous poly(tetrafluoroethylene) (PTFE) films by a mixture of potassium permanganate solution and nitric acid, was proposed to improve the hydrophilicity of PTFE. To evaluate the effectiveness of this strong oxidation treatment, contact angle measurement was performed. The effects of treatment time and temperature on the contact angle of PTFE were studied as well. The results showed that the chemical modification decreased contact angle of as-received PTFE film from 133 {+-} 3 deg. to 30 {+-} 4 deg. treated at 100 deg. C for 3 h, effectively converting the hydrophobic PTFE to a hydrophilic PTFE matrix. The changes in chemical structure, surface compositions and crystal structure of PTFE were examined by attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectroscopy (XPS), environmental scanning electron microscopy (ESEM), X-ray diffraction (XRD), respectively. It was found that the F/C atomic ratio decreased from untreated 1.65-0.10 treated by the mixture at 100 deg. C for 3 h. Hydrophilic groups such as carbonyl (C=O) and hydroxyl (-OH) were introduced on the surface of PTFE after treatment. Furthermore, hydrophilic compounds K{sub 0.27}MnO{sub 2}.0.54H{sub 2}O was absorbed on the surface of porous PTFE film. Both the introduction of hydrophilic groups and absorption of hydrophilic compounds contribute to the significantly decreased contact angle of PTFE.

  10. Surface modification of porous poly(tetrafluoraethylene) film by a simple chemical oxidation treatment

    Science.gov (United States)

    Wang, Shifang; Li, Juan; Suo, Jinping; Luo, Tianzhi

    2010-01-01

    A simple, inexpensive and environmental chemical treatment process, i.e., treating porous poly(tetrafluoroethylene) (PTFE) films by a mixture of potassium permanganate solution and nitric acid, was proposed to improve the hydrophilicity of PTFE. To evaluate the effectiveness of this strong oxidation treatment, contact angle measurement was performed. The effects of treatment time and temperature on the contact angle of PTFE were studied as well. The results showed that the chemical modification decreased contact angle of as-received PTFE film from 133 ± 3° to 30 ± 4° treated at 100 °C for 3 h, effectively converting the hydrophobic PTFE to a hydrophilic PTFE matrix. The changes in chemical structure, surface compositions and crystal structure of PTFE were examined by attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectroscopy (XPS), environmental scanning electron microscopy (ESEM), X-ray diffraction (XRD), respectively. It was found that the F/C atomic ratio decreased from untreated 1.65-0.10 treated by the mixture at 100 °C for 3 h. Hydrophilic groups such as carbonyl (C dbnd O) and hydroxyl ( sbnd OH) were introduced on the surface of PTFE after treatment. Furthermore, hydrophilic compounds K 0.27MnO 2·0.54H 2O was absorbed on the surface of porous PTFE film. Both the introduction of hydrophilic groups and absorption of hydrophilic compounds contribute to the significantly decreased contact angle of PTFE.

  11. Surface modification of porous poly(tetrafluoraethylene) film by a simple chemical oxidation treatment

    International Nuclear Information System (INIS)

    A simple, inexpensive and environmental chemical treatment process, i.e., treating porous poly(tetrafluoroethylene) (PTFE) films by a mixture of potassium permanganate solution and nitric acid, was proposed to improve the hydrophilicity of PTFE. To evaluate the effectiveness of this strong oxidation treatment, contact angle measurement was performed. The effects of treatment time and temperature on the contact angle of PTFE were studied as well. The results showed that the chemical modification decreased contact angle of as-received PTFE film from 133 ± 3 deg. to 30 ± 4 deg. treated at 100 deg. C for 3 h, effectively converting the hydrophobic PTFE to a hydrophilic PTFE matrix. The changes in chemical structure, surface compositions and crystal structure of PTFE were examined by attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectroscopy (XPS), environmental scanning electron microscopy (ESEM), X-ray diffraction (XRD), respectively. It was found that the F/C atomic ratio decreased from untreated 1.65-0.10 treated by the mixture at 100 deg. C for 3 h. Hydrophilic groups such as carbonyl (C=O) and hydroxyl (-OH) were introduced on the surface of PTFE after treatment. Furthermore, hydrophilic compounds K0.27MnO2.0.54H2O was absorbed on the surface of porous PTFE film. Both the introduction of hydrophilic groups and absorption of hydrophilic compounds contribute to the significantly decreased contact angle of PTFE.

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

    Science.gov (United States)

    Ramana Reddy, G. V.; Bhaskar Reddy, N.; Gorla, R. S. R.

    2016-02-01

    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.

  13. Chemical cleaning of porous stainless steel cross-flow filter elements for nuclear waste applications

    International Nuclear Information System (INIS)

    The Waste Treatment and Immobilization Plant (WTP) currently under construction for treatment of High-Level Waste (HLW) at the Hanford Site will rely on cross-flow ultrafiltration to provide solids-liquid separation as a core part of the treatment process. To optimize process throughput, periodic chemical cleaning of the porous stainless steel filter elements has been incorporated into the design of the plant. It is currently specified that chemical cleaning with nitric acid will occur after significant irreversible membrane fouling is observed. Irreversible fouling is defined as fouling that cannot be removed by backpulsing the filter. PNNL has investigated chemical cleaning processes as part of integrated tests with HLW simulants and with actual Hanford tank wastes. To quantify the effectiveness of chemical cleaning, the residual membrane resistance after cleaning was compared against the initial membrane resistance for each test in a series of long-term fouling tests. The impact of the small amount of residual resistance in these tests could not be separated from other parameters and the historical benchmark of >1 GPM/ft2 for clean water flux was determined to be an adequate metric for chemical cleaning. Using the results from these tests, a process optimization strategy is presented suggesting that for the simulant material under test, the value of chemical cleaning may be suspect. The period of enhanced filtration may not be enough to offset the down time required for chemical cleaning, without respect to the other associated costs.

  14. Chemical cleaning of porous stainless steel cross-flow filter elements for nuclear waste applications

    Energy Technology Data Exchange (ETDEWEB)

    Billing, Justin M.; Daniel, Richard C.; Hallen, Richard T.; Schonewill, Philip P.; Shimskey, Rick W.; Peterson, Reid A.

    2011-05-10

    The Waste Treatment and Immobilization Plant (WTP) currently under construction for treatment of High-Level Waste (HLW) at the Hanford Site will rely on cross-flow ultrafiltration to provide solids-liquid separation as a core part of the treatment process. To optimize process throughput, periodic chemical cleaning of the porous stainless steel filter elements has been incorporated into the design of the plant. It is currently specified that chemical cleaning with nitric acid will occur after significant irreversible membrane fouling is observed. Irreversible fouling is defined as fouling that cannot be removed by backpulsing the filter. PNNL has investigated chemical cleaning processes as part of integrated tests with HLW simulants and with actual Hanford tank wastes. To quantify the effectiveness of chemical cleaning, the residual membrane resistance after cleaning was compared against the initial membrane resistance for each test in a series of long-term fouling tests. The impact of the small amount of residual resistance in these tests could not be separated from other parameters and the historical benchmark of >1 GPM/ft2 for clean water flux was determined to be an adequate metric for chemical cleaning. Using the results from these tests, a process optimization strategy is presented suggesting that for the simulant material under test, the value of chemical cleaning may be suspect. The period of enhanced filtration may not be enough to offset the down time required for chemical cleaning, without respect to the other associated costs.

  15. An Inverse Model of Three-Dimensional Flow and Transport in Heterogeneous Porous Media

    Science.gov (United States)

    Robinson, B. A.; Vrugt, J. A.; Yoon, H.; Zhang, C.; Werth, C. J.; Kitanidis, P. K.; Lichtner, P. C.; Lu, C.

    2007-12-01

    A three-dimensional flow and transport model was developed to simulate the results of a laboratory-scale experiment in which snapshots of concentration were obtained using magnetic resonance imaging (MRI) during the displacement of tracer through a 14 by 8 by 8 cm flow cell. The medium was deliberately constructed to be heterogeneous with a known spatial correlation structure using sand of five different grain-size distributions. The extremely well characterized flow cell and large, high-precision data set of concentrations during displacement make this a unique experiment for examining the validity of flow and transport models, and for exploring new methods for interpreting large data sets using advanced optimization algorithms. A transport model was constructed by solving the steady state flow equations using the Finite Element Heat and Mass (FEHM) code, using FEHM's particle tracking transport model for simulating tracer migration. The particle tracking model was selected so that precise estimates of the transport parameters could be obtained that are not corrupted by numerical dispersion; a large number of particles (typically one million) were required to provide accuracy. The inverse model included nine uncertain parameters, the five permeability values of the individual sand units, and four dispersion/diffusion parameters. The inverse problem was solved with AMALGAM and DREAM, two recently developed self-adaptive multimethod optimization algorithms. The computations were enabled by performing both the transport model and the optimization loop on a high-performance computing cluster. Computational results indicate that parameter estimates and increased understanding of the behavior of the system can be obtained, and significant improvements in the fit to the data over hand calibration can be achieved, using this inverse modeling approach. The study also illustrates that numerical methods that make effective use of high- performance computing resources and

  16. 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.

  17. 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.)

  18. 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. PMID:26774131

  19. 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...

  20. 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

  1. Electrochromic properties of porous NiO thin films prepared by a chemical bath deposition

    Energy Technology Data Exchange (ETDEWEB)

    Xia, X.H.; Tu, J.P.; Zhang, J.; Wang, X.L. [Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zhang, W.K.; Huang, H. [College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032 (China)

    2008-06-15

    Highly porous nickel oxide thin films were prepared on ITO glass by a simple chemical bath deposition (CBD) method in combination with a following heat-treatment process. XRD analysis revealed that the as-deposited precursor film contained {beta}-Ni(OH){sub 2} and {gamma}-NiOOH, and they changed to cubic polycrystalline NiO after annealing. The FTIR results showed presence of free hydroxyl ion and water in the NiO thin films. The electrochromic properties of NiO thin films were investigated in an aqueous alkaline electrolyte (1 M KOH) by means of transmittance, cyclic voltammetry (CV) and chronoamperometry (CA) measurements. The NiO thin film annealed at 300 C exhibited a noticeable electrochromism and good memory effect. The coloration efficiency was calculated to be 42 cm{sup 2} C{sup -1} at 550 nm, with a variation of transmittance up to 82%. The porous NiO thin films also showed good reaction kinetics with fast switching speed, and the coloration and bleaching time were 8 and 10 s, respectively. (author)

  2. 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.

  3. 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.

  4. Chemically grown, porous, nickel oxide thin-film for electrochemical supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Inamdar, A.I.; Kim, YoungSam; Im, Hyunsik [Department of Semiconductor Science, Dongguk University, Seoul 100-715 (Korea, Republic of); Pawar, S.M.; Kim, J.H. [Department of Materials Science and Engineering, Chonnam National University, Gwangju 500-757 (Korea, Republic of); Kim, Hyungsang [Department of Physics, Dongguk University, Seoul 100-715 (Korea, Republic of)

    2011-02-15

    A porous nickel oxide film is successfully synthesized by means of a chemical bath deposition technique from an aqueous nickel nitrate solution. The formation of a rock salt NiO structure is confirmed with XRD measurements. The electrochemical supercapacitor properties of the nickel oxide film are examined using cyclic voltammetery (CV), galvanostatic and impedance measurements in two different electrolytes, namely, NaOH and KOH. A specific capacitance of {proportional_to}129.5 F g{sup -1} in the NaOH electrolyte and {proportional_to}69.8 F g{sup -1} in the KOH electrolyte is obtained from a cyclic voltammetery study. The electrochemical stability of the NiO electrode is observed for 1500 charge-discharge cycles. The capacitative behaviour of the NiO electrode is confirmed from electrochemical impedance measurements. (author)

  5. Biological functionalization and patterning of porous silicon prepared by Pt-assisted chemical etching

    International Nuclear Information System (INIS)

    Porous silicon fabricated via Pt-assisted chemical etching of p-type Si (1 0 0) in 1:1:1 EtOH/HF/H2O2 solution possesses a longer durability in air and in aqueous media than anodized one, which is advantageous for biomedical applications. Its surface SiHx (x = 1 and 2) species can react with 10-undecylenic acid completely under microwave irradiation, and subsequent derivatizations of the end carboxylic acid result in affinity capture of proteins. We applied two approaches to produce protein microarrays: photolithography and spotting. The former provides a homogeneous microarray with a very low fluorescence background, while the latter presents an inhomogeneous microarray with a high noise background.

  6. 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. PMID:27536531

  7. 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.

  8. Characteristics of lateral heterogeneities with thermal and chemical origins in the pyrolitic lower mantle

    Institute of Scientific and Technical Information of China (English)

    Baosheng Li

    2009-01-01

    The relative changes between shear and compressional velocities (R_(SP)=(e)ln V_S/(e)ln V_P), bulk sound and shear velocities (R_(CS)=(e)ln V_C/(e)ln V_S), and density versus shear wave velocity (R_(PS)=(e)ln ρ/(e)ln V_S) in response to thermal and chemical variations were investigated for the pyrolitic lower mantle. For heterogeneities with thermal origins, R_(SP) increases from 1.7 to 2.0 together with R_(ρS) decreasing from 0.4 to 0.2 and R_(CS)=~0.27 from the top to the bottom of the lower mantle. In comparison, chemical variations (bulk iron or silica contents) are characterized by R_(SP) 0.5 at lower mantle depths. Negative values of R_(ρS) and R_(CS) are indicative of chemical anomalies in the lower mantle, but a combination of thermal and chemical heterogeneities may be required to produce velocity and density anomalies at the magnitudes observed in seismic data. Further refinement of these characteristics requires data on the higher order pressure and temperature derivatives of the elastic moduli of the constituent phases.

  9. 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.

  10. 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.

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

    International Nuclear Information System (INIS)

    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. (paper)

  12. Physical and chemical immobilization of choline oxidase onto different porous solid supports: Adsorption studies.

    Science.gov (United States)

    Passos, Marieta L C; Ribeiro, David S M; Santos, João L M; Saraiva, M Lúcia M F S

    2016-08-01

    This work carries out for the first time the comparison between the physical and chemical immobilization of choline oxidase onto aminated silica-based porous supports. The influence on the immobilization efficiency of concentration, pH, temperature and contact time between the support and choline oxidase, was evaluated. The immobilization efficiency was estimated taking into consideration the choline oxidase activity, which was assessed by using cadmium telluride (CdTe) quantum dots (QDs), obtained by hydrothermal synthesis, as photoluminescent probes. Hydrogen peroxide produced by enzyme activity was capable of quenching CdTe QDs photoluminescence. The magnitude of the PL quenching process was directly related with the enzyme activity. By comparing the chemical process with the physical adsorption, it was observed that the latter provided the highest choline oxidase immobilization. The equilibrium data were analyzed using Langmuir and Freundlich isotherms and kinetic data were fitted to the pseudo-first-order and pseudo-second-order models. Thermodynamic parameters, such as Gibbs free energy and entropy were also calculated. These results will certainly contribute to the development of new sensing schemes for choline, taking into account the growing demand for its quantification in biological samples. PMID:27241295

  13. 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

  14. 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.

  15. 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.

  16. 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.

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

    International Nuclear Information System (INIS)

    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. (paper)

  18. 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...

  19. Line-imaging velocimetry for observing spatially heterogeneous mechanical and chemical responses in plastic bonded explosives during impact.

    Science.gov (United States)

    Bolme, C A; Ramos, K J

    2013-08-01

    A line-imaging velocity interferometer was implemented on a single-stage light gas gun to probe the spatial heterogeneity of mechanical response, chemical reaction, and initiation of detonation in explosives. The instrument is described in detail, and then data are presented on several shock-compressed materials to demonstrate the instrument performance on both homogeneous and heterogeneous samples. The noise floor of this diagnostic was determined to be 0.24 rad with a shot on elastically compressed sapphire. The diagnostic was then applied to two heterogeneous plastic bonded explosives: 3,3(')-diaminoazoxyfurazan (DAAF) and PBX 9501, where significant spatial velocity heterogeneity was observed during the build up to detonation. In PBX 9501, the velocity heterogeneity was consistent with the explosive grain size, however in DAAF, we observed heterogeneity on a much larger length scale than the grain size that was similar to the imaging resolution of the instrument. PMID:24007075

  20. 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

  1. 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

  2. Problems of application of porous silicon to chemical and photocatalytic production of hydrogen

    International Nuclear Information System (INIS)

    Advantages of the use of silicon and porous silicon (PS) for the chemical production of hydrogen have been analyzed and compared with other fuels. An analytic expression is derived for the dependence of the volume of hydrogen produced at the PS interaction with water on the material porosity, as well as for the corresponding energy yield, when the produced gas is used in the power sources of electronic systems. It is found that the silicon porosity growth results in a reduction of the total volume of hydrogen released in the reaction with water, as compared with the amount of H2 obtained from the initial quantity of raw silicon. This effect is explained by significant losses of a material at PS formation. The ratio between the accumulation of hydrogen in the PS material and silicon losses in the etchant is determined to be optimal for the silicon porosity in the interval of 60-70%. When applying the produced hydrogen in fuel cells, the etching of silicon provides a growth of the output power, but reduces the total amount of the produced energy. Those mechanisms are analyzed to demonstrate the inexpedience of using the composites on the basis of pure nano-PS for the photocatalytic water dissociation

  3. 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.

  4. Chemical Entropy Generation and MHD Effects on the Unsteady Heat and Fluid Flow through a Porous Medium

    Directory of Open Access Journals (Sweden)

    Gamal M. Abdel-Rahman Rashed

    2016-01-01

    Full Text Available Chemical entropy generation and magnetohydrodynamic effects on the unsteady heat and fluid flow through a porous medium have been numerically investigated. The entropy generation due to the use of a magnetic field and porous medium effects on heat transfer, fluid friction, and mass transfer have been analyzed numerically. Using a similarity transformation, the governing equations of continuity, momentum, and energy and concentration equations, of nonlinear system, were reduced to a set of ordinary differential equations and solved numerically. The effects of unsteadiness parameter, magnetic field parameter, porosity parameter, heat generation/absorption parameter, Lewis number, chemical reaction parameter, and Brinkman number parameter on the velocity, the temperature, the concentration, and the entropy generation rates profiles were investigated and the results were presented graphically.

  5. Thermal Instability of Chemically Reacting Maxwell Fluid in a Horizontal Porous Layer with Constant Heat Flux Lower Boundary

    Directory of Open Access Journals (Sweden)

    Syeda Khudeja Akbar

    2015-08-01

    Full Text Available The effect of chemical reaction on the linear stability of a viscoelastic fluid saturated horizontal densely-packed porous layer is investigated. The viscoelastic properties are given by Maxwell constitutive relations. The porous layer is cooled from the upper boundary while an adiabatic thermal boundary condition is imposed at the lower boundary. Linear stability analysis suggests that there is a competition between the processes of viscous relaxation and thermal diffusion that causes the first convective instability to be oscillatory rather than stationary. The effect of Deborah number, Darcy-Prandtl number, normalized porosity, and the Frank-Kamenetskii number on the stability of the system is investigated. Using a weighted residual method we calculate numerically the convective thresholds for both stationary and oscillatory instability. The effects of viscoelasticity and chemical reaction on the instability are emphasized. Some existing results are reproduced as the particular cases of the present study.

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

    International Nuclear Information System (INIS)

    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 12 weeks. 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. - Highlights: • Ta film was coated on porous Ti6Al4V scaffold using chemical vapor deposition. Tantalum coating allowed for higher levels of cell adhesion and proliferation. • Better new bone formation occurred inside the tantalum-coated scaffolds. • Clinical image data was integrated with EBM to fabricate customized scaffold

  7. 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. PMID:23623123

  8. 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.

  9. 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.

  10. 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.

  11. 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)

  12. X-ray Spectroscopy for Chemical and Energy Sciences. the Case of Heterogeneous Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Frenkel, A. I. [Brookhaven National Lab. (BNL), Upton, NY (United States); van Bokhoven, J. A. [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2014-09-01

    Heterogeneous catalysis is the enabling technology for much of the current and future processes relevant for energy conversion and chemicals synthesis. The development of new materials and processes is greatly helped by the understanding of the catalytic process at the molecular level on the macro/micro-kinetic time scale and on that of the actual bond breaking and bond making. The performance of heterogeneous catalysts is inherently the average over the ensemble of active sites. Much development aims at unravelling the structure of the active site; however, in general, these methods yield the ensemble-average structure. A benefit of X-ray-based methods is the large penetration depth of the X-rays, enabling in situ and operando measurements. Furthermore, the potential of X-ray absorption and emission spectroscopy methods (XANES, EXAFS, HERFD, RIXS and HEROS) to directly measure the structure of the catalytically active site at the single nanoparticle level using nanometer beams at diffraction-limited storage ring sources is highlighted. Use of pump-probe schemes coupled with single-shot experiments will extend the time range from the micro/macro-kinetic time domain to the time scale of bond breaking and making.

  13. X-ray spectroscopy for chemical and energy sciences: the case of heterogeneous catalysis.

    Science.gov (United States)

    Frenkel, Anatoly I; van Bokhoven, Jeroen A

    2014-09-01

    Heterogeneous catalysis is the enabling technology for much of the current and future processes relevant for energy conversion and chemicals synthesis. The development of new materials and processes is greatly helped by the understanding of the catalytic process at the molecular level on the macro/micro-kinetic time scale and on that of the actual bond breaking and bond making. The performance of heterogeneous catalysts is inherently the average over the ensemble of active sites. Much development aims at unravelling the structure of the active site; however, in general, these methods yield the ensemble-average structure. A benefit of X-ray-based methods is the large penetration depth of the X-rays, enabling in situ and operando measurements. The potential of X-ray absorption and emission spectroscopy methods (XANES, EXAFS, HERFD, RIXS and HEROS) to directly measure the structure of the catalytically active site at the single nanoparticle level using nanometer beams at diffraction-limited storage ring sources is highlighted. The use of pump-probe schemes coupled with single-shot experiments will extend the time range from the micro/macro-kinetic time domain to the time scale of bond breaking and making. PMID:25177997

  14. Chemical Imaging of Heterogeneous Muscle Foods Using Near-Infrared Hyperspectral Imaging in Transmission Mode.

    Science.gov (United States)

    Wold, Jens Petter; Kermit, Martin; Segtnan, Vegard Herman

    2016-06-01

    Foods and biomaterials are, in general, heterogeneous and it is often a challenge to obtain spectral data which are representative for the chemical composition and distribution. This paper presents a setup for near-infrared (NIR) transmission imaging where the samples are completely trans-illuminated, probing the entire sample. The system measures falling samples at high speed and consists of an NIR imaging scanner covering the spectral range 760-1040 nm and a powerful line light source. The investigated samples were rather big: whole pork bellies of thickness up to 5 cm, salmon fillets with skin, and 3 cm thick model samples of ground pork meat. Partial least square regression models for fat were developed for ground pork and salmon fillet with high correlations (R = 0.98 and R = 0.95, respectively). The regression models were applied at pixel level in the hyperspectral transmission images and resulted in images of fat distribution where also deeply embedded fat clearly contributed to the result. The results suggest that it is possible to use transmission imaging for rapid, nondestructive, and representative sampling of very heterogeneous foods. The proposed system is suitable for industrial use. PMID:27257302

  15. 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.

  16. 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.

  17. Taylor dispersion in heterogeneous porous media: Extended method of moments, theory, and modelling with two-relaxation-times lattice Boltzmann scheme

    Science.gov (United States)

    Vikhansky, Alexander; Ginzburg, Irina

    2014-02-01

    This article describes a generalization of the method of moments, called extended method of moments (EMM), for dispersion in periodic structures composed of impermeable or permeable porous inclusions. Prescribing pre-computed steady state velocity field in a single periodic cell, the EMM sequentially solves specific linear stationary advection-diffusion equations and restores any-order moments of the resident time distribution or the averaged concentration distribution. Like the pioneering Brenner's method, the EMM recovers mean seepage velocity and Taylor dispersion coefficient as the first two terms of the perturbative expansion. We consider two types of dispersion: spatial dispersion, i.e., spread of initially narrow pulse of concentration, and temporal dispersion, where different portions of the solute have different residence times inside the system. While the first (mean velocity) and the second (Taylor dispersion coefficient) moments coincide for both problems, the higher moments are different. Our perturbative approach allows to link them through simple analytical expressions. Although the relative importance of the higher moments decays downstream, they manifest the non-Gaussian behaviour of the breakthrough curves, especially if the solute can diffuse into less porous phase. The EMM quantifies two principal effects of bi-modality, as the appearance of sharp peaks and elongated tails of the distributions. In addition, the moments can be used for the numerical reconstruction of the corresponding distribution, avoiding time-consuming computations of solute transition through heterogeneous media. As illustration, solutions for Taylor dispersion, skewness, and kurtosis in Poiseuille flow and open/impermeable stratified systems, both in rectangular and cylindrical channels, power-law duct flows, shallow channels, and Darcy flow in parallel porous layers are obtained in closed analytical form for the entire range of Péclet numbers. The high-order moments and

  18. Probing Seismically Melting Induced Mantle Heterogeneities in Thermal-chemical Convection Models

    Science.gov (United States)

    Heck, H. V.; Davies, H.; Nowacki, A.; Wookey, J. M.

    2015-12-01

    Two regions at the base of the Earth's mantle (the Large Low-Shear Velocity Provinces) pose a fundamental problem in understanding large-scale mantle dynamics and history. Are they dense piles of (possibly primordial) material separated from mantle circulation, or large-scale thermal features which are part of global mantle convection? Or some combination of the two? We use our numerical 3D spherical mantle convection code to perform simulations of the Earths mantle dynamical evolution. We drive the surface velocity of the model according to 200 Ma plate motion reconstructions, to arrive at Earth-like structures in the mantle at present day. Variations in bulk chemistry will be tracked in two ways: 1) by starting the calculations with a (primordial) dense layer at the base of the mantle, and 2) by tracking basalt fraction which is fractionated upon melting close to the surface. The resulting distribution of chemical heterogeneity and temperature will be converted to seismic velocities. This will be done with a thermodynamical database (Stixrude & Lithgow-Bertelloni, GJI, 2005, 2011), allowing us to compare the model with previous observations of triplications and waveform complexity near the margins of the LLSVPs. These observations have been taken as proof that strong chemical variations are present; our simulations can be used to show whether this is true, or if purely thermal convection can also cause these features. We simulate finite-frequency, 3D seismograms at ~5 s period and compare these with previous studies.

  19. Preparation of highly porous carbonaceous sorbents from sewage sludge by physical and chemical activation

    Energy Technology Data Exchange (ETDEWEB)

    Ros, A.; Martin, M.J. [Girona Univ., Lab. d' Enginyerie Quimica i Ambiental, Dept. d' Enginyeria Quimica, Agraria i Tecnologia Agroalimentaria, Facultat de Ciencies (Spain); Lillo-Rodenas, M.A.; Linares-Solano, A. [Alicante Univ., Dept. de Quimica Inorganica (Spain); Fuente, E.; Montes-Moran, M.A. [Instituto Nacional del Carbon, CSIC, Oviedo (Spain)

    2005-07-01

    Among the different porous materials, activated carbon (AC) is the most widely used for environmental applications such as gas-phase pollutant removal, gas separation, solvent recovery and water purification, because of its high specific surfacea. Commercial activated carbons are generally produced from coals and lignocellulosic materials [1]. Additionally, in the latest years great attention is being focused on the reuse of wastes such as sewage sludges [2,3]. The objective of this study is to find more effective activating procedures to prepare AC from sewage sludge. Both dried sludges from two different WWTP (SL, SB) and their corresponding chars prepared by pyrolysis (SL-P, SB-P) were activated using physical activation (CO{sub 2}) and chemical activation (H{sub 3}PO{sub 4}, NaOH and KOH). As shown in Table 1, pyrolysis of the raw sludges slightly increased the specific surface area, up to 50 m{sup 2}/g. Acid-washing of the pyrolyzed samples with 5 M HCl removes part of the metal content leading to an increase in the specific surface areas for both SL-PD and SB-PD, with surface areas of 428 m{sup 2}/g and 188 m{sup 2}/g, respectively. This simple washing treatment is useful for the development of porous adsorbents, especially in the case of SL derived materials. Our results show that CO{sub 2} physical activation of the pyrolyzed and the HCl-washed samples develops no appreciable porosity in the final materials, under the experimental conditions used. For CO{sub 2} activation, maximum temperatures of 870 C and holding times up to 4 hours in CO{sub 2} (100 ml/min) were used. Chemical activation with H{sub 3}PO{sub 4} of the pristine samples and those pyrolyzed was performed at 450 C, a temperature typically used for the activation by H{sub 3}PO{sub 4} of lignocellulosic precursors, and using two different H{sub 3}PO{sub 4} solutions (30 and 50% wt). These conditions were not either suitable for an efficient porosity development. A detailed study about the

  20. Spectroscopic Characterization and Simulation of Chemical Sputtering Using the DiMES Porous Plug Injector in DIII-D

    Energy Technology Data Exchange (ETDEWEB)

    McLean, A G; Davis, J W; Stangeby, P C; Brooks, N H; Whyte, D G; Allen, S L; Bray, B D; Brezinsek, S; Elder, J D; Fenstermacher, M E; Groth, M; Haasz, A A; Hollmann, E M; Isler, R; Lasnier, C J; Rudakov, D L; Watkins, J G; West, W P; Wong, C C

    2006-05-15

    A self-contained gas injection system for the Divertor Material Evaluation System (DiMES) on DIII-D has been employed for in-situ study of chemical erosion in the tokamak divertor environment. The Porous Plug Injector (PPI) releases methane, a major component of molecular influx due to chemical sputtering of graphite, from the tile surface into the plasma at a controlled rate through a porous graphite surface. Perturbation to local plasma is minimized, while also simulating the immediate environment of methane molecules released from a solid graphite surface. The release rate was chosen to be of the same order of magnitude as natural sputtering. Photon efficiencies of CH{sub 4} for measured local plasma conditions are reported. The contribution of chemical versus physical sputtering to the source of C{sup +} at the target is assessed through measurement of CII and CD/CH band emissions during release of CH{sub 4} from the PPI, and due to intrinsic emission.

  1. 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.

  2. 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.

  3. 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.

  4. Spectroscopic characterization and simulation of chemical sputtering using the DiMES porous plug injector in DIII-D

    Energy Technology Data Exchange (ETDEWEB)

    McLean, A.G. [University of Toronto, Institute for Aerospace Studies, 4925 Dufferin Street, Toronto, Ont., M3H 5T6 (Canada)]. E-mail: adam.mclean@utoronto.ca; Davis, J.W. [University of Toronto, Institute for Aerospace Studies, 4925 Dufferin Street, Toronto, Ont., M3H 5T6 (Canada); Stangeby, P.C. [University of Toronto, Institute for Aerospace Studies, 4925 Dufferin Street, Toronto, Ont., M3H 5T6 (Canada); Brooks, N.H. [General Atomics, San Diego, CA 92186-5608 (United States); Whyte, D.G. [M.I.T. Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge MA 02139 (United States); Allen, S.L. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Bray, B.D. [General Atomics, San Diego, CA 92186-5608 (United States); Brezinsek, S. [Institut fuer Plasmaphysik Forschungszentrum, Juelich GmbH 52425, Juelich (Germany); Elder, J.D. [University of Toronto, Institute for Aerospace Studies, 4925 Dufferin Street, Toronto, Ont., M3H 5T6 (Canada); Fenstermacher, M.E. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Groth, M. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Haasz, A.A. [University of Toronto, Institute for Aerospace Studies, 4925 Dufferin Street, Toronto, Ont., Canada M3H 5T6 (Canada); Hollmann, E.M. [University of California, San Diego, La Jolla, CA 92093 (United States); Isler, R.C. [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Lasnier, C.J. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Rudakov, D.L. [University of California, San Diego, La Jolla, CA 92093 (United States); Watkins, J.G. [Sandia National Laboratories, Albuquerque, NM 87185 (United States); West, W.P. [General Atomics, San Diego, CA 92186-5608 (United States); Wong, C.P.C. [General Atomics, San Diego, CA 92186-5608 (United States)

    2007-06-15

    A self-contained gas injection system for the Divertor Material Evaluation System (DiMES) on DIII-D has been employed for in situ study of chemical erosion in the tokamak divertor environment. The porous plug injector (PPI) releases methane into the plasma at a controlled rate through a porous graphite surface flush to a tile. In this way, the perturbation to the local plasma can be minimized, while also simulating the immediate environment of methane molecules released from a solid graphite surface. Photon efficiencies of CH{sub 4} for measured local plasma conditions are reported. The contribution of chemical vs physical sputtering to the source of C{sup +} at the target can, in principle, be assessed through measurement of CII and CD/CH band emissions during release of CH{sub 4} from the PPI, and due to intrinsic emission. These first results from this new experimental tool demonstrate the potential for the PPI to provide definitive results in future applications in DIII-D and indicate the improvements required to obtain firm quantitative conclusions.

  5. Spectroscopic characterization and simulation of chemical sputtering using the DiMES porous plug injector in DIII-D

    International Nuclear Information System (INIS)

    A self-contained gas injection system for the Divertor Material Evaluation System (DiMES) on DIII-D has been employed for in situ study of chemical erosion in the tokamak divertor environment. The porous plug injector (PPI) releases methane into the plasma at a controlled rate through a porous graphite surface flush to a tile. In this way, the perturbation to the local plasma can be minimized, while also simulating the immediate environment of methane molecules released from a solid graphite surface. Photon efficiencies of CH4 for measured local plasma conditions are reported. The contribution of chemical vs physical sputtering to the source of C+ at the target can, in principle, be assessed through measurement of CII and CD/CH band emissions during release of CH4 from the PPI, and due to intrinsic emission. These first results from this new experimental tool demonstrate the potential for the PPI to provide definitive results in future applications in DIII-D and indicate the improvements required to obtain firm quantitative conclusions

  6. 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.

  7. Porous solgel fiber as a transducer for highly sensitive chemical sensing.

    Science.gov (United States)

    Tao, Shiquan; Winstead, Christopher B; Singh, Jagdish P; Jindal, Rajeev

    2002-08-15

    A novel solgel process for making porous silica fiber and doping the fiber core with sensing material is described. A CoCl(2) -doped solgel fiber was fabricated and was used to construct an active-core optical fiber moisture sensor. Test results show that the sensitivity of the active-core optical fiber sensor is much higher than that of an evanescent-wave-based optical fiber sensor. PMID:18026453

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

    OpenAIRE

    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 ...

  9. 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

  10. 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

  11. 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.

  12. Variable viscosity and thermophoresis effects on Darcy mixed convective heat and mass transfer past a porous wedge in the presence of chemical reaction

    Directory of Open Access Journals (Sweden)

    Muhaimin I.

    2009-01-01

    Full Text Available An analysis is presented to investigate the effect of thermophoresis particle deposition and variable viscosity on Darcy mixed convective heat and mass transfer of a viscous, incompressible fluid past a porous wedge in the presence of chemical reaction. The wall of the wedge is embedded in a uniform Darcian porous medium in order to allow for possible fluid wall suction or injection. The viscosity of the fluid is assumed to be a inverse linear function of temperature. The results are analyzed for the effect of different physical parameters, such as variable viscosity, magnetic, chemical reaction and thermophoresis parameters, on the flow, the heat and mass transfer characteristics.

  13. 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

  14. 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.

  15. Optical chemical sensors for atmospheric pollutants based on nano porous materials: application to the formaldehyde and the other carbonyl compounds

    International Nuclear Information System (INIS)

    Formaldehyde, a well-identified indoor pollutant, was recently classified as carcinogenic. New regulations for the air quality are expected and therefore there is a need for low-cost sensors, sensitive and selective with a fast response time for the detection of formaldehyde at ppb level. In the present work, we had developed a chemical sensor based on nano-porous matrices doped with Fluoral-P and optical methods of detection. The nano-porous matrices, elaborated via the Sol-Gel process, display nano-pores whose cavity is tailored for the trapping of the targeted pollutant. They provide a first selectivity with the discrimination of the pollutants by their size. A second selectivity is obtained with a molecular probe, Fluoral-P, which reacts specifically with formaldehyde leading to the 3,5- di-acetyl-1,4-dihydro-lutidine (DDL). The kinetics of formation of DDL was studied as function of many parameters such as the concentration of Fluoral-P in the matrix, the pollutant content in gas mixture, the flow rate, the relative humidity of the gas mixtures and interference with other carbonylated compounds. The present chemical sensor can detect, via absorbance measurements, 2 ppb of formaldehyde within 30 min over a O to 60% relative humidity range. Moreover, to detect the total carbonylated compounds, we also explored the potentiality of a chemical sensor using, as a probe molecule, the 2'4-dinitro-phenyl-hydrazine which forms with these compounds the corresponding hydrazones derivatives. A patent was deposited for these two sensors. We have also developed a semi-miniaturized prototype for demonstration, using a flow cell, a miniaturized spectrophotometer, a light source and a lap-top. (author)

  16. 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

  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. Fabrication of heterogeneous nanomaterial array by programmable heating and chemical supply within microfluidic platform towards multiplexed gas sensing application.

    Science.gov (United States)

    Yang, Daejong; Kang, Kyungnam; Kim, Donghwan; Li, Zhiyong; Park, Inkyu

    2015-01-01

    A facile top-down/bottom-up hybrid nanofabrication process based on programmable temperature control and parallel chemical supply within microfluidic platform has been developed for the all liquid-phase synthesis of heterogeneous nanomaterial arrays. The synthesized materials and locations can be controlled by local heating with integrated microheaters and guided liquid chemical flow within microfluidic platform. As proofs-of-concept, we have demonstrated the synthesis of two types of nanomaterial arrays: (i) parallel array of TiO2 nanotubes, CuO nanospikes and ZnO nanowires, and (ii) parallel array of ZnO nanowire/CuO nanospike hybrid nanostructures, CuO nanospikes and ZnO nanowires. The laminar flow with negligible ionic diffusion between different precursor solutions as well as localized heating was verified by numerical calculation and experimental result of nanomaterial array synthesis. The devices made of heterogeneous nanomaterial array were utilized as a multiplexed sensor for toxic gases such as NO2 and CO. This method would be very useful for the facile fabrication of functional nanodevices based on highly integrated arrays of heterogeneous nanomaterials. PMID:25634814

  19. Continent-ocean chemical heterogeneity in the mantle based on seismic tomography.

    Science.gov (United States)

    Forte, A M; Dziewonski, A M; O'connell, R J

    1995-04-21

    Seismic models of global-scale lateral heterogeneity in the mantle show systematic differences below continents and oceans that are too large to be purely thermal in origin. An inversion of the geoid, based on a seismic model that includes viscous flow in the mantle, indicates that the differences beneath continents and oceans can be accounted for by differences in composition in the upper mantle superposed on mantle-wide thermal heterogeneities. The net continent-ocean density differences, integrated over depth, are small and cause only a low flux of mass and heat across the asthenosphere and mantle transition zone. PMID:17746544

  20. Heterogeneous Catalysis

    OpenAIRE

    Schlögl, R.

    2015-01-01

    A heterogeneous catalyst is a functional material that continually creates active sites with its reactants under reaction conditions. These sites change the rates of chemical reactions of the reactants localized on them without changing the thermodynamic equilibrium between the materials.

  1. 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.

  2. 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.

  3. Successful definition of nanowire and porous Si regions of different porosity levels by regular positive photoresist using metal-assisted chemical etching

    International Nuclear Information System (INIS)

    A simple and efficient method for selective formation of porous Si areas using regular photoresist as a masking layer is presented. Such a simple masking layer is sufficient to create a wide range of porosity levels through metal-assisted chemical etching (MaCE) using platinum, palladium and silver nanoparticles. Reproducible porous areas with a minimum feature size of 5 µm were produced on Si wafers. The pore size and height are the functions of the etching time and type of nanoparticles. Using Ag nanopaticles we have been able to obtain Si nanowires of about 30 µm height. Based on these results, a combination of positive photoresist and MaCE seems to be a reliable way for micron and submicron patterning of nanowire and porous areas on Si wafers, which is simple, inexpensive and compatible with integrated circuit fabrication techniques

  4. Fundamentals of the Layer-by-Layer Chemical Analysis of Heterogeneous Samples Using Secondary Ion Energy-mass Spectrometry

    Science.gov (United States)

    Nikitenkov, Nikolay N.; Vilkhivskaya, Olga V.; Nikitenkov, Alexsey N.; Sypchenko, Vladimir S.

    The experimental results presented in this paper demonstrate an opportunity for phase analysisof the surfacelayers of heterogeneous solidsusing the energy spectra of secondary ions (ESSI). The resultant ESSI from performing layer-by-layersputteringof thin-film systems using a stationary N2+ primary ion beam are presented and discussed. As examples of such studies, the depth distributions of the chemical compositions were studied on ZnO/Zn andInxAsyOz/InAs. An analysis of the simultaneous change in depth of both secondary molecular ion intensities and secondary atomic ion energy distributions (with reference to the target) enables the identification of separate phases.

  5. Heterogeneous TiO2 Photocatalysis : Fundamental Chemical Aspects and Effects of Solid Phase Alterations

    OpenAIRE

    Diesen, Veronica

    2013-01-01

    Heterogeneous photocatalysis on TiO2 is an emerging green technology for water disinfection. The rationale for this technology is based on in-situ generation of highly reactive transitory species for degradation of organic and inorganic pollutants as well as microorganisms. Recent research has concentrated on improving the efficiency of the photocatalytic process, however, some fundamental information on the mechanistic aspects and rate limiting properties still remain elusive.     The focus ...

  6. The role of pellet thermal stability in reactor design for heterogeneously catalysed chemical reactions

    OpenAIRE

    Wijngaarden, R.J.; Westerterp, K.R.

    1992-01-01

    For exothermic fluid-phase reactions, a reactor which is cooled at the wall can exhibit multiplicity or parametric sensitivity. Moreover, for heterogeneously catalysed exothermic fluid-phase reactions, each of the catalytically active pellets in the reactor can exhibit multiplicity. Both forms of multiplicity can lead to thermal instability and as such have to be taken into account in reactor design. Here the effect of both instabilities is quantified. To this end, simple first-order kinetics...

  7. 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.

  8. Geochemical and fluid dynamic investigations into the nature of chemical heterogeneity in the earth's mantle. Doctoral thesis

    Energy Technology Data Exchange (ETDEWEB)

    Hauri, E.H.

    1992-09-01

    Variations in the abundances of elements and radiogenic isotopes in mantle derived periodotites and volcanic rocks are chemical integrals over time, space, and process, which ultimately contain information about the role of convection in the earth's mantle in creating, maintaining, and destroying geochemical heterogeneities. Successful inversion of these integrals extensive of these integrals requires extensive knowledge of the geochemical behavior of elements, the length scales of chemical variability, the evolution with time of geologic systems, the physical properties of mantle rocks, and the driving forces of phenomena which govern heat and mass transport in a dynamic earth. This dissertation attempts to add to this knowledge by examining the trace element and isotope geochemistry of mantle periodotites and oceanic island basalts, and by studying aspects of the flow of viscous fluids driven by thermal buoyancy.

  9. Chemical heterogeneity of Mt. Etna magmas in the last 15 ka. Inferences on their mantle sources

    Science.gov (United States)

    Corsaro, Rosa Anna; Métrich, Nicole

    2016-05-01

    Primitive basaltic magmas are crucial in the study of the geochemical heterogeneity documented in Etna magmas and their inferred mantle sources. We undertook a systematic sampling of the less evolved basalts (Mg# > 50) erupted over the last 15 ka, a time period which corresponds to the activity of the youngest volcanic edifice of Mt. Etna complex, i.e. Mongibello volcano. We focused on lava flows and pyroclastites emplaced during 'deep-dyke fed' (DDF) eruptions which were driven by the rapid ascent of deeply-rooted magma intrusions that bypassed the shallow plumbing system of the volcano. All the samples were analyzed by the same laboratory to avoid analytical bias, to build a comprehensive dataset on their major and trace element compositions and to propose a coherent framework for interpreting the geochemical fingerprints of present-day Etna basalts. Trace element modeling, together with literature data for Sr isotopes, gave insight into long-term magmatic processes related to different melting degrees of the heterogeneous mantle beneath Mt Etna. DDF magma batches provide good snapshots of their mantle source heterogeneities that point to the variable involvement of clinopyroxenitic lithology, Rb-87Sr-Cl-rich fluid component(s) possibly controlled by their source mineralogy, and slab-derived fluids selectively enriched in alkalis (Rb, K). The ongoing alkali (Rb, K) enrichment of the present-day magmas, well manifest since the 1970s, is decoupled from that of Sr and Cl. We propose that this process is linked to mantle source composition and is concomitant with changes in both volcanological and seismotectonic patterns of the volcano. There is no time evolution of DDF magma chemistry.

  10. Effect of Binders on Porous Properties, Surface Chemical Properties and Adsorption Characteristics of Granular Adsorbents from Sewage Sludge

    Directory of Open Access Journals (Sweden)

    Liheng LIU

    2014-12-01

    Full Text Available To investigate the influence of binders on porous properties, surface chemical properties and methylene blue adsorption characteristics of granular adsobnts from sewage sludge, four samples(G1, G2, G3 and G4 respectively using soluble starch, sodium carboxymethyl cellulose, sodium silicate and calcium sulfate as binders and a sample without binder (G0 were prepared by carbonization method. The pore structure and surface characterization of samples prepared show that G1 and G2 have many microporous and mesoporous pores while the activation of sodium silicate and calcium sulfate cause that G1 and G2 are typical mesoporous adsorbents. The FTIR spectra of all samples suggest that the major differences of surface functional groups are between 1000-1200 cm-1 and 400-800 cm-1. Langmuir model fitted the methylene blue (MB adsorption data better, and the MB adsorption of G0, G1, G2, G3 and G4 are 56.50, 40.32, 33.44, 29.33 and 71.94mg/g, respectively. DOI: http://dx.doi.org/10.5755/j01.ms.20.4.6031

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  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. Well-aligned carbon nanotube array membrane synthesized in porous alumina template by chemical vapor deposition

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    A new simple approach was developed for preparing well-aligned and monodispersed carbon nanotube (CNT) array membrane within the cylindrical pores of anodic aluminum oxide (AAO) template by chemical vapor deposition (CVD). Acetylene and hydrogen were used in the CVD process with Fe-catalyzer at 700℃ under 250 Pa. Scanning electron microscope (SEM) and transmission electron microscope (TEM) were employed to characterize the resulting highly- oriented uniform hollow tube array which had a diameter of about 250 nm, a tube density of 5.3′ 108 cm-2 and a length of about 60 m m. The length and diameter of the tubes depend on the thickness and pore diameter of the template. The growth properties of the CNT array film can be achieved by controlling the structure of the template, the particle size of Fe-catalyzer, the temperature in the reactor, the flow ratio and the deposition time. The highly-oriented and uniform CNT array membrane fabricated by this simple method is very much useful in a variety of applications.

  17. 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.

  18. Treatment of Actual Chemical Wastewater by a Heterogeneous Fenton Process Using Natural Pyrite

    OpenAIRE

    Liang Sun; Yan Li; Aimin Li

    2015-01-01

    Wastewater from chemical plants has remarkable antibiotic effects on the microorganisms in traditional biological treatment processes. An enhanced Fenton system catalyzed by natural pyrite was developed to degrade this kind of wastewater. Approximately 30% chemical oxygen demand (COD) was removed within 120 min when 50 mmol/L H2O2 and 10 g/L natural pyrite were used at initial pH from 1.8 to 7. A BOD5/COD enhancement efficiency of 210% and an acute biotoxicity removal efficiency of 84% were a...

  19. 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

  20. 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.

  1. 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

  2. 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.

  3. 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. PMID:25211030

  4. 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.

  5. 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.

  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. 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.

  8. Transformation of Sorbitol to Biofuels by Heterogeneous Catalysis: Chemical and Industrial Considerations

    International Nuclear Information System (INIS)

    Decreasing oil supplies and increasing energy demand provide incentives to find alternative fuels. First, the valorisation of edible crops for ethanol and bio-diesel production led to first generation biofuels. Nowadays, research is focused on lignocellulosic biomass as a source of renewable carbon (second generation biofuels). Whereas the cellulosic ethanol production is in progress, a new way consisting of the transformation of ex-lignocellulose sugars and polyols towards light hydrocarbons by heterogeneous catalysis in aqueous phase has been recently described. This process is performed under mild conditions (T < 300 deg. C and P < 50 bar). It requires on one hand hydrogen formation by catalytic reforming of carbohydrates in aqueous phase and on the other hand, the dehydration/hydrogenation of polyols leading to alkanes by selective C-O bond cleavages. The challenge here is to conceive multifunctional catalytic systems that are stable, active and selective under the reaction conditions. The aim of this article is to present the involved reactions, the catalytic systems described in literature for that kind of transformation and examples of industrial applications. (authors)

  9. Electronic Energy Transfer in Polarizable Heterogeneous Environments: A Systematic Investigation of Different Quantum Chemical Approaches.

    Science.gov (United States)

    Steinmann, Casper; Kongsted, Jacob

    2015-09-01

    Theoretical prediction of transport and optical properties of protein-pigment complexes is of significant importance when aiming at understanding the structure-function relationship in such systems. Electronic energy transfer (EET) couplings represent a key property in this respect since such couplings provide important insight into the strength of interaction between photoactive pigments in protein-pigment complexes. Recently, attention has been payed to how the environment modifies or even controls the electronic couplings. To enable such theoretical predictions, a fully polarizable embedding model has been suggested (Curutchet, C., et al. J. Chem. Theory Comput., 2009, 5, 1838-1848). In this work, we further develop this computational model by extending it with an ab initio derived polarizable force field including higher-order multipole moments. We use this extended model to systematically examine three different ways of obtaining EET couplings in a heterogeneous medium ranging from use of the exact transition density to a point-dipole approximation. Several interesting observations are made, for example, the explicit use of transition densities in the calculation of the electronic couplings, and also when including the explicit environment contribution, can be replaced by a much simpler transition point charge description without comprising the quality of the model predictions. PMID:26575923

  10. Hierarchical porous NiCo2S4 hexagonal plates: Formation via chemical conversion and application in high performance supercapacitors

    International Nuclear Information System (INIS)

    Graphical abstract: - Highlights: • Hierarchical porous NiCo2S4 hexagonal plates are prepared via hydrothermal method. • The architecture of hexagonal plates is composed by numbers of nanoparticles. • The evolution of phase and morphology are confirmed by XRD and SEM measurements. • NiCo2S4 hexagonal plates exhibit excellent cycling stability and rate performance. - Abstract: Design: and prepare electrode material with porous structure is an effective method to enhance the electrochemical performance in supercapacitors. In this work, we developed hierarchical porous NiCo2S4 hexagonal plates via hydrothermal method by controlling sulfidation process. Measurements, such as XRD and SEM, are used to investigate the morphological and structural evolution of the hierarchical porous NiCo2S4 hexagonal plates. With advantages of high electronic conductivity, the interconnected nanometer-sized subunits of the material and the existence of porous, which cause shorter distance for transportation of electrolyte ion, excellent electrochemical performances exhibit with a high specific capacitance of 852.5 F g−1 after 5000 cycles at a current density of 10 A g−1. The outstanding properties indicate hierarchical porous NiCo2S4 hexagonal plates are promising future electrode materials for supercapacitors

  11. The physico-chemical, antigenic, and functional heterogeneity of human serum amyloid A

    International Nuclear Information System (INIS)

    In the present study we attempted to develop a rapid method to isolate serum amyloid A isomers (SAA is.) and to determine whether this physicochemical heterogeneity corresponds to an antigenic and functional one. Pure human low molecular SAA (SAAL) was prepared from the serum of 6 patients (pts.) using standard techniques. Preparative isoelectric focusing in agarose/sephadex gels was used to separate SAAL is. Monoclonal antibodies (m. abs.) to SAAL and to AA were prepared by hybridization of P3XU-1 nonsecretory murine myeloma cells with murine spleen cells from Balb/c mice immunized with pooled SAAL and AA respectively. Four distinctly migrating SAAL isomers with PI's of 4.9, 5.8, 6.6, and 7.2 were isolated from 6 pts. while only three isomers were separated from the pt. with myasthenia gravis. Four m. abs. to SAAL, one to AA, six m. abs. to SAAL-2 is. and one to SAAL-1 is. were generated in murine ascitic fluid. Dishes coated with the four human SAA is., human AA, various mammalian and human proteins as well as with serum from 31 pts. with metastatic Ca. and 23 pts. with inflammatory diseases (ID) were reacted with the m. abs. The amount of binding was determined using 125I labelled goat antimouse serum. The m. abs. to SAA were found specific for human SAA recognizing two different patterns in relationship to the intensity of binding to SAA is. One of them (7A2-43) had a greater affinity for SAA from pts with ID, while the other (5A6-5) reacted stronger with SAA from pts with metastatic Ca

  12. Heterogeneous physical and chemical processes in a rarefied-gas flow in channels

    Science.gov (United States)

    Rebrov, A. K.; Yudin, I. B.

    2016-05-01

    A flow with physical and chemical reactions on hot surfaces is investigated. On the basis of physical experiments, determining the hydrogen-dissociation degree in rarefied gas and calculation of the flow by the method of direct simulation Monte Carlo (DSMC), it is possible to specify certain unknown constants of interaction of molecules and atoms with a tungsten surface. By the example of the hydrogen flow in a hightemperature tungsten cylindrical channel, the role of dissociation, sorption, and recombination processes is shown in a wide range of flow regimes from free-molecular to continuum.

  13. Numerical investigation of variable viscosities and thermal stratification effects on MHD mixed convective heat and mass transfer past a porous wedge in the presence of a chemical reaction

    Institute of Scientific and Technical Information of China (English)

    I. Muhaimin; R. Kandasamy; Azme B. Khamis

    2009-01-01

    An analysis is presented to investigate the effects of variable viscosities and thermal stratification on the MHD mixed convective heat and mass transfer of a viscous, incompressible, and electrically conducting fluid past a porous wedge in the presence of a 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 governing boundary layer equations are written into a dimensionless form by similarity transformations. The transformed coupled nonlinear ordinary differential equations are solved numerically with finite difference methods. Numerical calculations up to the third-order level of truncation are carried out for different values of dimensionless parameters. The results are presented graphically, and show that the flow field and other quantities of physical interest are significantly influenced by these parameters. The results are compared with those available in literature, and show excellent agreement.

  14. 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.

  15. Chemical Heterogeneity on Mercury's Surface Revealed by the MESSENGER X-ray Spectrometer

    Science.gov (United States)

    Weider, Shoshana Z.; Nittler, Larry R.; Starr, Richard D.; McCoy, Timothy J.; Stockstill-Cahill, Karen R.; Byrne, Paul K.; Denevi, Brett W.; Head, James W.; Solomon, Sean C.

    2012-01-01

    We present the analysis of 205 spatially resolved measurements of the surfacecomposition of Mercury from MESSENGERs X-Ray Spectrometer. The surfacefootprints of these measurements are categorized according to geological terrain. Northernsmooth plains deposits and the plains interior to the Caloris basin differ compositionallyfrom older terrain on Mercury. The older terrain generally has higher MgSi, SSi, andCaSi ratios, and a lower AlSi ratio than the smooth plains. Mercurys surface mineralogyis likely dominated by high-Mg mafic minerals (e.g., enstatite), plagioclase feldspar, andlesser amounts of Ca, Mg, andor Fe sulfides (e.g., oldhamite). The compositionaldifference between the volcanic smooth plains and the older terrain reflects differentabundances of these minerals and points to the crystallization of the smooth plains from amore chemically evolved magma source. High-degree partial melts of enstatite chondritematerial provide a generally good compositional and mineralogical match for much ofthe surface of Mercury. An exception is Fe, for which the low surface abundance onMercury is still higher than that of melts from enstatite chondrites and may indicate anexogenous contribution from meteoroid impacts.

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

    Science.gov (United States)

    Highfield, James

    2015-01-01

    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. PMID:25884553

  17. 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.

  18. A highly porous NiO/polyaniline composite film prepared by combining chemical bath deposition and electro-polymerization and its electrochromic performance

    Science.gov (United States)

    Xia, X. H.; Tu, J. P.; Zhang, J.; Wang, X. L.; Zhang, W. K.; Huang, H.

    2008-11-01

    A highly porous NiO/polyaniline (PANI) composite film was prepared on ITO glass by combining the chemical bath deposition and electro-polymerization methods, successively. The porous NiO film acts as a template for the preferential growth of PANI along NiO flakes, and the NiO/PANI composite film has an intercrossing net-like morphology. The electrochromic performance of the NiO/PANI composite film was investigated in 1 M LiClO4+1 mM HClO4/propylene carbonate (PC) by means of transmittance, cyclic voltammetry (CV) and chronoamperometry (CA) measurements. The NiO/PANI thin film exhibits a noticeable electrochromism with reversible color changes from transparent yellow to purple and presents quite good transmittance modulation with a variation of transmittance up to 56% at 550 nm. The porous NiO/polyaniline (PANI) composite film also shows good reaction kinetics with fast switching speed, and the response time for oxidation and reduction is 90 and 110 ms, respectively.

  19. A highly porous NiO/polyaniline composite film prepared by combining chemical bath deposition and electro-polymerization and its electrochromic performance

    International Nuclear Information System (INIS)

    A highly porous NiO/polyaniline (PANI) composite film was prepared on ITO glass by combining the chemical bath deposition and electro-polymerization methods, successively. The porous NiO film acts as a template for the preferential growth of PANI along NiO flakes, and the NiO/PANI composite film has an intercrossing net-like morphology. The electrochromic performance of the NiO/PANI composite film was investigated in 1 M LiClO4+1 mM HClO4/propylene carbonate (PC) by means of transmittance, cyclic voltammetry (CV) and chronoamperometry (CA) measurements. The NiO/PANI thin film exhibits a noticeable electrochromism with reversible color changes from transparent yellow to purple and presents quite good transmittance modulation with a variation of transmittance up to 56% at 550 nm. The porous NiO/polyaniline (PANI) composite film also shows good reaction kinetics with fast switching speed, and the response time for oxidation and reduction is 90 and 110 ms, respectively.

  20. 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.

  1. Chemical reaction effect on an unsteady MHD free convection flow past a vertical porous plate in the presence of suction or injection

    Directory of Open Access Journals (Sweden)

    Shivaiah S.

    2012-01-01

    Full Text Available The objective of this paper is to analyze the effect of chemical reaction on unsteady magneto hydrodynamic free convective fluid flow past a vertical porous plate in the presence of suction or injection. The governing equations of the flow field are solved numerically by a finite element method. The effects of the various parameters on the velocity, temperature and concentration profiles are presented graphically and values of skin-friction coefficient, Nusselt number and Sherwood number for various values of physical parameters are presented through tables.

  2. 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.

  3. 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.

  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. PMID:26652458

  5. 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.

  6. TOUGH2, Unsaturated Ground Water and Heat Transfer - T2VOC, H2O, Air, VOC Flow Simulation in Porous Multidimensional Media - iTOUGH2, Inverse Modeling for TOUGH2 Multiphase Flow Simulators - TOUGHREACT, Chemically reactive non-isothermal flows of multiphase fluids in porous and fractured media - TMVOCV1.0, Multicomponent, multiphase, nonisothermal flows of water, soil gas, volatile organic chemicals (VOCs) - ECO2N, a TOUGH2 fluid property module for mixtures of water-NaCl-CO2

    International Nuclear Information System (INIS)

    1 - Description of program or function: TOUGH2V2.0 is a new and improved version of TOUGH2 for simulating fluid flow and heat transfer in porous media. It is upwardly compatible with and includes all of the capabilities of the earlier version, including the flexibility to handle different fluid mixtures (water, water with tracer; water, CO2; water, air; water, air, with vapor pressure lowering; and water, hydrogen), facilities for processing of geometric data (computational grids), and an internal version control system to ensure referenceability of code applications. Improvements in TOUGH2V2.0 include (1) several new EOS modules for different fluid mixtures, including brines and water-soluble and volatile tracers, (2) enhanced capabilities for previously released fluid property modules, (3) description of diffusion and dispersion in multiphase systems, (4) strongly coupled flow and transport processes, (5) coupling between flow in geothermal reservoirs and well-bores in two-phase conditions, (6) tracer transport with sorption and radioactive decay, (7) flow in media with strong heterogeneity, and (8) a new package of preconditioned conjugate gradient routines for more robust solution of numerically difficult problems. In addition, numerous enhancements were made to facilitate applications to more diverse and demanding flow problems. The TZVOC code for three phase flow of water, air, and a non-aqueous phase liquid (NAPL) has been fully integrated into and is now part of the TOUGH2V2.0 program package. TOUGH2V2.0 comes with a new self-contained users guide that includes technical specifications, a complete reference of input data formats and a collection of sample problems. TOUGH2V2.0 is a multi-dimensional numerical model for simulating the coupled transport of water, vapor, air, and other fluids, and heat in porous and fractured media. iTOUGH2 (inverse TOUGH2) is a computer program that provides inverse modeling capabilities for the TOUGH2 code, a simulator for

  7. 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. PMID:27104986

  8. 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.

  9. 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.

  10. 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).

  11. Sleuthing for drivers of particulate organic matter chemical fingerprints: Effects of land use history and soil heterogeneity in the winegrape region of Napa, CA

    Science.gov (United States)

    Yu, O. T.; Calderon, F. J.; Greenhut, R. F.; Hollander, A. D.; O'Geen, A.; Burns, K. N.; Steenwerth, K. L.

    2013-12-01

    Quantity and quality of soil organic matter (SOM, whole soil) and particulate organic matter (POM) fractions may reflect land use history and soil heterogeneity. Attributes of soil heterogeneity like soil mineralogy and texture serve as crucial components in stabilizing SOM, especially the fine fraction (Partitioning Around Medoids (PAM), using existing datasets from NRCS SoilWeb for soil great group, texture class, aspect, slope, elevation, irradiation, and soil organic matter. At least three vineyards (three locations per vineyard) of each soil cluster type were surveyed for soil attributes (pH, exchangeable cations, cation exchange capacity, texture, SOM, POM, TOC, DON; n = 72 sampled locations). The chemical fingerprints of SOM and silt/clay associated-OM (<53 μm; 0-5 cm and 5-10 cm in depth) were measured by FTIR. Current management and land use history were gathered through interviews with vineyard managers. Soil mineralogy was determined by x-ray diffraction (XRD). Data trends suggest that drivers (any natural or human-induced factor that causes a change) of the chemical fingerprints were linked to management practices and land use history, whereas content was strongly linked to soil heterogeneity and mineralogy. Using vineyards as the model system, these data establish the framework for a comprehensive study linking agricultural landscape attributes to processes directing SOM stabilization, greenhouse gas emissions, and the soil microorganisms responsible for such emissions.

  12. Voltammetry at porous electrodes: A theoretical study

    OpenAIRE

    Barnes, Edward O; Chena, Xiaojun; 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.

  13. NMR of porous Bio-systems

    NARCIS (Netherlands)

    Snaar, E.J.M.

    2002-01-01

    The structure and dynamics of water diffusion and -transport at a microscale in heterogeneous porous media have been investigated using various 1H NMR techniques. In particular in biological porous media the dynamics are usually very complex since it is intimately related to th

  14. Probabilistic human health risk assessment of degradation-related chemical mixtures in heterogeneous aquifers: Risk statistics, hot spots, and preferential channels

    Science.gov (United States)

    Henri, Christopher V.; Fernández-Garcia, Daniel; Barros, Felipe P. J.

    2015-06-01

    The increasing presence of toxic chemicals released in the subsurface has led to a rapid growth of social concerns and the need to develop and employ models that can predict the impact of groundwater contamination on human health risk under uncertainty. Monitored natural attenuation is a common remediation action in many contamination cases. However, natural attenuation can lead to the production of daughter species of distinct toxicity that may pose challenges in pollution management strategies. The actual threat that these contaminants pose to human health depends on the interplay between the complex structure of the geological media and the toxicity of each pollutant byproduct. This work addresses human health risk for chemical mixtures resulting from the sequential degradation of a contaminant (such as a chlorinated solvent) under uncertainty through high-resolution three-dimensional numerical simulations. We systematically investigate the interaction between aquifer heterogeneity, flow connectivity, contaminant injection model, and chemical toxicity in the probabilistic characterization of health risk. We illustrate how chemical-specific travel times control the regime of the expected risk and its corresponding uncertainties. Results indicate conditions where preferential flow paths can favor the reduction of the overall risk of the chemical mixture. The overall human risk response to aquifer connectivity is shown to be nontrivial for multispecies transport. This nontriviality is a result of the interaction between aquifer heterogeneity and chemical toxicity. To quantify the joint effect of connectivity and toxicity in health risk, we propose a toxicity-based Damköhler number. Furthermore, we provide a statistical characterization in terms of low-order moments and the probability density function of the individual and total risks.

  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. 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

  17. Non-equilibrium thermo-chemical heat storage in porous media: Part 2 – A 1D computational model for a calcium hydroxide reaction system

    International Nuclear Information System (INIS)

    Thermal energy storage technologies can facilitate the transition to an energy system based largely on renewable sources and enable efficiency gains for industrial processes in general. Due to their specific advantages, various concepts of thermo-chemical storage systems are being developed. They share characteristic features of mass and heat transport that are strongly coupled through a variety of physical and chemical phenomena. To facilitate the understanding of the coupled multi-physics processes inside such systems, a versatile conceptual model for directly permeated reactive beds was developed in part 1 of this work. It was based on thermodynamic principles and the Theory of Porous Media. The model was then implemented into OpenGeoSys, a scientific finite element simulation software. In this article, the model is specified to the well-studied calcium hydroxide reaction system to illustrate its practical applicability. Sensitivity analyses reveal the influence of particle diameter, porosity, permeability, mass flux, and reaction rate. Two distinct “reaction waves” are identified to migrate through the reactor. The power required to pump the gas stream was decomposed into parts related to the classical mechanical pressure drop and to the chemical reaction. The results can be used for the optimization of thermochemical heat storage systems. - Highlights: • Detailed investigation of coupled multiphysics in thermochemical heat storage. • Thermodynamically consistent model for thermochemical heat storage systems. • Analysis of thermal power depending on material and process parameters. • Two reaction waves are identified that traverse the reactor. • Mechanical pumping power splits into mechanically and chemically induced parts

  18. 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.)

  19. 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. PMID:27469042

  20. 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.

  1. 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

    2016-01-01

    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.

  2. Percolation in Heterogeneous Media

    International Nuclear Information System (INIS)

    This work is a theoretical reflection on the problematic of the modeling of heterogeneous media, that is on the way of their simple representation conserving their characteristic features. Two particular problems are addressed in this thesis. Firstly, we study the transport in porous media, that is in a heterogeneous media which structure is quenched. A pore space is represented in a simple way - a pore is symbolized as a tube of a given length and a given diameter. The fact that the correlations in the distribution of pore sizes are taken into account by a construction of a hierarchical network makes possible the modeling of porous media with a porosity distributed over several length scales. The transport in the hierarchical network shows qualitatively different phenomena from those observed in simpler models. A comparison of numerical results with experimental data shows that the hierarchical network gives a good qualitative representation of the structure of real porous media. Secondly, we study a problem of the transport in a heterogeneous media which structure is evolving during the time. The models where the evolution of the structure is not influenced by the transport are studied in detail. These models present a phase transition of the same nature as that observed on the percolation networks. We propose a new theoretical description of this transition, and we express critical exponents describing the evolution of the conductivity as a function of fundamental exponents of percolation theory. (author)

  3. 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.

  4. Radiative heat transfer to steady flow of a chemically reacting fluid in a horizontal porous channel with variable wall temperature

    International Nuclear Information System (INIS)

    Fluid motion in a horizontal channel at very high temperatures is studied when the radiative heat flux is expressible in general differential form. On the assumption that the fluid is chemically reacting while the temperatures of the channel walls vary linearly with axial distance, the problem is reduced to a set of coupled nonlinear ordinary integro-differential equations when only linear terms in the axial distance are retained. An iterative sequence is established in which the eventual linear equations are discretized by employing finite differences for derivatives and trapazium rule for integrals. The effect of the chemical rate constant and the radiative parameters on the flow are discussed. (author). 5 refs, 2 figs

  5. 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.

  6. 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

  7. 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...

  8. Particle dispersion and deposition in porous media: a computational perspective

    Science.gov (United States)

    Boccardo, Gianluca; Crevacore, Eleonora; Sethi, Rajandrea; Marchisio, Daniele

    2015-11-01

    This work investigates particle dispersion in porous media, which is of central relevance in a number of applications ranging from groundwater remediation tochemical engineering. The challenge lies in studying the complex fluid dynamics behavior arising at the microscale (very difficult to observe experimentally) and obtaining transport models to be employed at the macroscopic scale of interest. While a wealth of studies have approached this problem, the case of particle transport with a concurrent heterogeneous chemical reaction (e.g.: particle deposition) still lacks a satisfactory description, especially when considering a polydisperse population of solid particles. Moreover, the oft-used simplified descriptions of the porous medium (via array of spheres or similar strategies) fail to fully take into account the effect of the packing structure. Our novel approach relies on an ``in-silico'' procedure where many 3-D realistic porous media models are constructed via rigid-body simulations and fluid flowand particle transport are then investigated through computational fluid dynamics. The results evidence the need for a deeper look, afforded by these methodology, into the influence of the features of realistic porous media on particle transport and deposition.

  9. 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

    2016-06-01

    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.

  10. Structural and optical properties study of nanocrystalline Si (nc-Si) thin films deposited on porous aluminum by plasma enhanced chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Ghrib, M.; Gaidi, M.; Khedher, N. [Photovoltaic Laboratory Research and Technology Centre of Energy, Borj-Cedria Science and Technology Park, BP 95, 2050 Hammam-Lif (Tunisia); Ghrib, T., E-mail: taher.ghrib@yahoo.fr [Photovoltaic Laboratory Research and Technology Centre of Energy, Borj-Cedria Science and Technology Park, BP 95, 2050 Hammam-Lif (Tunisia); Ben Salem, M. [L3M, Department of Physics, Faculty of Sciences of Bizerte, 7021 Zarzouna (Tunisia); Ezzaouia, H. [Photovoltaic Laboratory Research and Technology Centre of Energy, Borj-Cedria Science and Technology Park, BP 95, 2050 Hammam-Lif (Tunisia)

    2011-02-15

    In this paper we report detail investigation and correlation between micro-structural and optical properties of nanocrystalline silicon (nc-Si) deposited by plasma enhancement chemical vapor deposition (PECVD) on porous aluminum structure. The influence of the microstructure of the nc-Si thin films on their optical properties was investigated through an extensive characterization. The effect of anodisation currents on the microstructure of aluminum surface layer and nc-Si films was systematically studied by atomic force microscopy (AFM) and transmission electron microscopy (TEM), Raman spectroscopy and X-ray diffraction (XRD). The optical constants (n and k as a function of wavelength) of the films were obtained using variable angle spectroscopic ellipsometry (SE) in the UV-vis-NIR regions. The silicon layer (SL) was modeled as a mixture of void, crystalline silicon and aluminum using the Bruggeman approximation. Based on this full characterization, it is demonstrated that the optical characteristics of the films are directly correlated to their micro-structural properties. A very bright photoluminescence (PL) was obtained and find to depend on anodisation current.

  11. Chemical characteristics of ice residual nuclei in anvil cirrus clouds: evidence for homogeneous and heterogeneous ice formation

    Directory of Open Access Journals (Sweden)

    C. H. Twohy

    2005-01-01

    Full Text Available A counterflow virtual impactor was used to collect residual particles larger than about 0.1 μm diameter from anvil cirrus clouds generated over Florida in the southern United States. A wide variety of particle types were found. About one-third of the nuclei were salts, with varying amounts of crustal material, industrial metals, carbonaceous particles, and sulfates. Ambient aerosol particles near the anvils were found to have similar compositions, indicating that anvils act to redistribute particles over large regions of the atmosphere. Sampling occurred at a range of altitudes spanning temperatures from −21 to −56°C. More insoluble (crustal and metallic particles typical of heterogeneous ice nuclei were found in ice crystals at warmer temperatures, while more soluble salts and sulfates were present at cold temperatures. At temperatures below about −35 to −40°C, soluble nuclei outnumbered insoluble nuclei, evidently reflecting the transition from primarily heterogeneous to primarily homogeneous freezing as a source of anvil ice.

  12. 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.

  13. 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. PMID:26263277

  14. 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.

  15. Biogenic Cracks in Porous Rock

    Science.gov (United States)

    Hemmerle, A.; Hartung, J.; Hallatschek, O.; Goehring, L.; Herminghaus, S.

    2014-12-01

    Microorganisms growing on and inside porous rock may fracture it by various processes. Some of the mechanisms of biofouling and bioweathering are today identified and partially understood but most emphasis is on chemical weathering, while mechanical contributions have been neglected. However, as demonstrated by the perseverance of a seed germinating and cracking up a concrete block, the turgor pressure of living organisms can be very significant. Here, we present results of a systematic study of the effects of the mechanical forces of growing microbial populations on the weathering of porous media. We designed a model porous medium made of glass beads held together by polydimethylsiloxane (PDMS), a curable polymer. The rheological properties of the porous medium, whose shape and size are tunable, can be controlled by the ratio of crosslinker to base used in the PDMS (see Fig. 1). Glass and PDMS being inert to most chemicals, we are able to focus on the mechanical processes of biodeterioration, excluding any chemical weathering. Inspired by recent measurements of the high pressure (~0.5 Mpa) exerted by a growing population of yeasts trapped in a microfluidic device, we show that yeast cells can be cultured homogeneously within porous medium until saturation of the porous space. We investigate then the effects of such an inner pressure on the mechanical properties of the sample. Using the same model system, we study also the complex interplay between biofilms and porous media. We focus in particular on the effects of pore size on the penetration of the biofilm within the porous sample, and on the resulting deformations of the matrix, opening new perspectives into the understanding of life in complex geometry. Figure 1. Left : cell culture growing in a model porous medium. The white spheres represent the grains, bonds are displayed in grey, and microbes in green. Right: microscopy picture of glass beads linked by PDMS bridges, scale bar: 100 μm.

  16. Automated separation for heterogeneous immunoassays

    OpenAIRE

    Truchaud, A.; Barclay, J; Yvert, J. P.; Capolaghi, B.

    1991-01-01

    Beside general requirements for modern automated systems, immunoassay automation involves specific requirements as a separation step for heterogeneous immunoassays. Systems are designed according to the solid phase selected: dedicated or open robots for coated tubes and wells, systems nearly similar to chemistry analysers in the case of magnetic particles, and a completely original design for those using porous and film materials.

  17. 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.

  18. 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.

  19. 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.

  20. 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. PMID:26651843

  1. 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.

  2. Computational Modeling of Heterogeneous Reactive Materials at the Mesoscale

    Energy Technology Data Exchange (ETDEWEB)

    BAER, MARVIN R.

    1999-09-22

    The mesoscopic processes of consolidation, deformation and reaction of shocked porous energetic materials are studied using shock physics analysis of impact on a collection of discrete ''crystals.'' Highly resolved three-dimensional CTH simulations indicate that rapid deformation occurs at material contact points causing large amplitude fluctuations of stress states with wavelengths of the order of several particle diameters. Localization of energy produces ''hot-spots'' due to shock focusing and plastic work near internal boundaries as material flows into interstitial regions. Numerical experiments indicate that ''hot-spots'' are strongly influenced by multiple crystal interactions. Chemical reaction processes also produce multiple wave structures associated with particle distribution effects. This study provides new insights into the micromechanical behavior of heterogeneous energetic materials strongly suggesting that initiation and sustained reaction of shocked heterogeneous materials involves states distinctly different from single jump state descriptions.

  3. 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.

  4. Heterogeneous atmospheric chemistry

    Science.gov (United States)

    Schryer, D. R.

    1982-01-01

    The present conference on heterogeneous atmospheric chemistry considers such topics concerning clusters, particles and microparticles as common problems in nucleation and growth, chemical kinetics, and catalysis, chemical reactions with aerosols, electron beam studies of natural and anthropogenic microparticles, and structural studies employing molecular beam techniques, as well as such gas-solid interaction topics as photoassisted reactions, catalyzed photolysis, and heterogeneous catalysis. Also discussed are sulfur dioxide absorption, oxidation, and oxidation inhibition in falling drops, sulfur dioxide/water equilibria, the evidence for heterogeneous catalysis in the atmosphere, the importance of heterogeneous processes to tropospheric chemistry, soot-catalyzed atmospheric reactions, and the concentrations and mechanisms of formation of sulfate in the atmospheric boundary layer.

  5. 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.

  6. 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.

  7. Tritium transport in lithium ceramics porous media

    Energy Technology Data Exchange (ETDEWEB)

    Tam, S.W.; Ambrose, V.

    1991-12-31

    A random network model has been utilized to analyze the problem of tritium percolation through porous Li ceramic breeders. Local transport in each pore channel is described by a set of convection-diffusion-reaction equations. Long range transport is described by a matrix technique. The heterogeneous structure of the porous medium is accounted for via Monte Carlo methods. The model was then applied to an analysis of the relative contribution of diffusion and convective flow to tritium transport in porous lithium ceramics. 15 refs., 4 figs.

  8. Tritium transport in lithium ceramics porous media

    Energy Technology Data Exchange (ETDEWEB)

    Tam, S.W.; Ambrose, V.

    1991-01-01

    A random network model has been utilized to analyze the problem of tritium percolation through porous Li ceramic breeders. Local transport in each pore channel is described by a set of convection-diffusion-reaction equations. Long range transport is described by a matrix technique. The heterogeneous structure of the porous medium is accounted for via Monte Carlo methods. The model was then applied to an analysis of the relative contribution of diffusion and convective flow to tritium transport in porous lithium ceramics. 15 refs., 4 figs.

  9. 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

  10. 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

  11. Influence of permeability anisotropy on mixing controlled reactive transport simulations in porous media

    Science.gov (United States)

    Chiogna, Gabriele; Herrera, Paulo

    2015-04-01

    Several studies have demonstrated how plume deformation induced by flow heterogeneity in porous media can enhance mixing of reactants. This enhancement can have important impact on mixing controlled reactions such a biodegradation of plumes of organic compounds. On the other hand, recent studies have indicated the possibility of observing complex flow topology on groundwater flow that occurs in anisotropic yet homogenous porous media. Moreover, it has been demonstrated that those complex flow topologies can also enhance solute mixing. We study the effect of medium anisotropy on reactive solute transport for the case of a chemical reactor composed of two homogeneous anisotropic layers. We simulate different injection strategies for different chemical reactions that involve two reactants. We demonstrate the effect of the medium anisotropy by analyzing the results of the simulations and identify best strategies for the operation and design of the system to maximize reaction rates. These findings could have potential application in the design of new remediation systems for contaminated groundwater, chemical reactors and other engineering problems that involve flow through porous media.

  12. Modification of chemical and physical factors in steamflood to increase heavy oil recovery

    Energy Technology Data Exchange (ETDEWEB)

    Yortsos, Y.C.

    1990-02-01

    This report summarizes research progress made during the period October 1, 1988--September 30, 1989. We report advances in the following general areas: (1) chemical-steam simulation model, (2) vapor-liquid flow in porous media, (3) foam flow in porous media, (4) caustic flooding at elevated temperatures, and (5) reservoir heterogeneity. Additional efforts have been devoted in the last quarter of the past year in upgrading and debugging the simulator. New features were added in three-phase relative permeabilities, the vertical equilibrium and the phase behavior subroutines. 123 refs., 79 figs., 2 tabs.

  13. Methane Activation by Heterogeneous Catalysis

    OpenAIRE

    Horn, R.; Schlögl, R.

    2015-01-01

    Methane activation by heterogeneous catalysis will play a key role to secure the supply of energy, chemicals and fuels in the future. Methane is the main constituent of natural gas and biogas and it is also found in crystalline hydrates at the continental slopes of many oceans and in permafrost areas. In view of this vast reserves and resources, the use of methane as chemical feedstock has to be intensified. The present review presents recent results and developments in heterogeneous catalyti...

  14. Heterogeneous Catalysis.

    Science.gov (United States)

    Miranda, R.

    1989-01-01

    Described is a heterogeneous catalysis course which has elements of materials processing embedded in the classical format of catalytic mechanisms and surface chemistry. A course outline and list of examples of recent review papers written by students are provided. (MVL)

  15. A computer model for one-dimensional mass and energy transport in and around chemically reacting particles, including complex gas-phase chemistry, multicomponent molecular diffusion, surface evaporation, and heterogeneous reaction

    Science.gov (United States)

    Cho, S. Y.; Yetter, R. A.; Dryer, F. L.

    1992-01-01

    Various chemically reacting flow problems highlighting chemical and physical fundamentals rather than flow geometry are presently investigated by means of a comprehensive mathematical model that incorporates multicomponent molecular diffusion, complex chemistry, and heterogeneous processes, in the interest of obtaining sensitivity-related information. The sensitivity equations were decoupled from those of the model, and then integrated one time-step behind the integration of the model equations, and analytical Jacobian matrices were applied to improve the accuracy of sensitivity coefficients that are calculated together with model solutions.

  16. 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.;

    )) 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....... A comprehensive benchmarking book has been published (Kolditz et al. [1]), second volume is in print. Benchmarking has been proven to be a valuable tool for cooperation between different developer teams. On one hand, object-orientation (OO) provides a suitable framework for distributed code development; however...

  17. 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

  18. Heterogeneous catalysis fundamentals and applications

    CERN Document Server

    Ross, Julian RH

    2011-01-01

    Heterogeneous catalysis plays a part in the production of more than 80% of all chemical products. It is therefore essential that all chemists and chemical engineers have an understanding of the fundamental principles as well as the applications of heterogeneous catalysts. This book introduces the subject, starting at a basic level, and includes sections on adsorption and surface science, catalytic kinetics, experimental methods for preparing and studying heterogeneous catalysts, as well as some aspects of the design of industrial catalytic reactors. It ends with a chapter that covers a range

  19. 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.

  20. 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

  1. 多孔阳极氧化铝的化学修饰及其应用于过氧化氢的测定%Chemical Modification of Porous Anodic Alumina and Application in Detection of Hydrogen Peroxide

    Institute of Scientific and Technical Information of China (English)

    徐国荣; 唐安平

    2011-01-01

    A new hydrogen peroxide electrochemical biosensor was fabricated through adsorbed cytochrome C in porous anodic alumina chemically modified. The barrier layer at the bottom of the porous anodic alumina was erased by chemical and electrochemical erosion. The Au nano particles were deposited in porous anodic alumina by two-step electroless deposition, and then the cytochrome C was immobilization on Nano Au bed in solution including L-cyste-ine through self-assembled technology. Then a new hydrogen peroxide biosensor was fabricated. The electrochemical and electro catalytic behavior of the cytochrome C electrode was characterized by cyclic voltammetry and chrono-amperometry. The cytochrome C electrode showed a pair of stable and well-defined peaks at about -50 mV and -190 mV at 80 mV/s in pH 7.0 PBS and displayed excellent electro catalytic responses to the reduction of hydrogen peroxide with linear relationship over a concentration range from 1.5xl0-5 mol/L to 4. 8xl0-4 mol/L,and a detection limit of 3.5 x10-6 mol/L( S/N = 3). The results of this study reveal porous anodic alumina chemically modified could be used for the design of biosensors with good operational lifetimes.%多孔阳极氧化铝经化学修饰后吸附细胞色素C,制备了过氧化氢生物传感器电极。多孔阳极氧化铝通过电化学和化学腐蚀阻挡层后,用两步无电沉积方法制备了纳米金修饰的多孔阳极氧化铝电极,再在含有L-半胱氨酸的细胞色素C的溶液中通过吸附制备细胞色素C电极。用循环伏安法和计时电流法测试细胞色素C电极的电化学性能及催化对过氧化氢的还原。结果表明,包覆的细胞色素C电极显示较好的稳定性,在扫描速度为80 mV/s时于-50 mV、-190mV附近出现一对稳定的氧化还原峰。该电极对过氧化氢具有良好的电催化还原性能,在1.5×10-5mol/L~4.8×10-4 mol/L浓度范围内,电流与浓度呈良好的线性关系。多孔阳极氧化铝

  2. 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

  3. 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.

  4. 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…

  5. 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.

  6. 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.

  7. 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)

  8. Heterogeneous Learning

    OpenAIRE

    Chryssi Giannitsarou

    2003-01-01

    There is by now a large literature characterising conditions under which learning schemes converge to rational expectations equilibria (REEs). It has been claimed that these results depend on the assumption of homogeneous agents and homogeneous learning. This paper analyses the stability of REEs under heterogeneous adaptative learning, for the class of self-referential linear stochastic models. Agents may differ in their initial perceptions about the evolution of the economy, the degrees of i...

  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. 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.

  11. 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.

  12. Evaluation of the effects of microscale chemical and isotopic heterogeneity of coral skeleton on conventional Sr/Ca and O paleothermometers

    Science.gov (United States)

    Mitsuguchi, Takehiro

    2013-10-01

    Recent studies using secondary ion mass spectrometry revealed microscale heterogeneity of Sr/Ca and O in shallow-water coral skeletons, i.e., Sr/Ca and O 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 O 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, O 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.

  13. Methane storage in advanced porous materials.

    Science.gov (United States)

    Makal, Trevor A; Li, Jian-Rong; Lu, Weigang; Zhou, Hong-Cai

    2012-12-01

    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. PMID:22990753

  14. 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.

  15. 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…

  16. 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

  17. 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

  18. Heterogeneities in fractured aquifers: Examples from outcrops and implications for fluid flow modeling

    Science.gov (United States)

    Antonellini, Marco; Nella Mollema, Pauline

    2016-04-01

    Surface outcrops provide natural analogs for aquifers and they offer an opportunity to study the geometry of geologic heterogeneities in three dimensions over a range of scales. We show photographs, maps, quantitative field data of rock fractures and sedimentary features in outcrops exposed in a unique collection of many different settings. These include small-scale sedimentary structures, carbonate nodules, faults, and other fractures as documented in outcrops of porous sandstone (Utah, USA and Italy), tight sandstones (Bolivia), dolomite (Northern Italy), and carbonates (Central Italy). We simulate the geometries observed in outcrops with simple conceptual and numerical models of flow to show how important it is to recognize the appropriate attributes for the description and the process responsible for the formation of geologic heterogeneities. For example, knowing the type of structural heterogeneities (fault, joint, compaction band, stylolite, and vein) and their development mechanics helps to predict the distribution and preferential orientation of these features within an aquifer. This knowledge is particularly important for modeling of fluid flow where geophysical or borehole data are lacking. Geologic heterogeneities of sedimentary, structural or diagenetic (chemical) nature influence the fluid flow properties in many aquifers and reservoirs at scales varying over several orders of magnitude and with a spatial variability ranging from mm to tens of meters. Heterogeneities may enhance or degrade porosity and permeability, they impart anisotropy to permeability and dispersion and affect mass transport-related processes in groundwater. Furthermore, aquifer heterogeneities control aquifer continuity and compartmentalization. In fractured aquifers, geologic and diagenetic heterogeneities may affect connectivity, aperture of the flow channels or the distribution of permeability buffers, barriers and seals. Also variations in layer thickness and lithology within a

  19. 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

  20. 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.

  1. Two-Phase Flow in Heterogeneous Media

    CERN Document Server

    Ghaffari, Hamed O

    2009-01-01

    In this study, we investigate the appeared complexity of two-phase flow (air-water) in a heterogeneous soil where the supposed porous media is non-deformable media which is under the time-dependent gas pressure. After obtaining of governing equations and considering the capillary pressure-saturation and permeability functions, the evolution of the models unknown parameters were obtained. In this way, using COMSOL (FEMLAB) and fluid flow-script Module, the role of heterogeneity in intrinsic permeability was analysed. Also, the evolution of relative permeability of wetting and non-wetting fluid, capillary pressure and other parameters were elicited.

  2. 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

  3. 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.

  4. Disordered hyperuniform heterogeneous materials.

    Science.gov (United States)

    Torquato, Salvatore

    2016-10-19

    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 [Formula: see text]. 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 [Formula: see text]. 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

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. 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

  10. Convection in porous media

    CERN Document Server

    Bejan, A

    2006-01-01

    Provides an introduction to convection in porous media, such as fibrous insulation, geological strata, and catalytic reactors. This third edition covers ""designed"" porous media, the theory of deformable media, modeling viscous dissipation in hyperporous media, and more. It is useful for researchers, practicing engineers and students.

  11. 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.

  12. Probabilistic human health risk assessment of degradation-related chemical mixtures in heterogeneous aquifers: risk statistics, hot spots, and preferential channels

    OpenAIRE

    Henri, Christopher Vincent; Fernández García, Daniel; Barros, Felipe de

    2015-01-01

    The increasing presence of toxic chemicals released in the subsurface has led to a rapid growth of social concerns and the need to develop and employ models that can predict the impact of groundwater contamination on human health risk under uncertainty. Monitored natural attenuation is a common remediation action in many contamination cases. However, natural attenuation can lead to the production of daughter species of distinct toxicity that may pose challenges in pollution management strateg...

  13. 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

  14. 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.

  15. Mechanics of fluids in porous media

    Science.gov (United States)

    Bear, Jacob; Corapcioglu, M. Yavuz

    Transport of quantities such as mass component of a phase and/or heat occurs in fields as diversified as petroleum reservoir engineering, groundwater hydraulics, soil mechanics, industrial filtration, water purification, wastewater treatment, soil drainage and irrigation, and geothermal energy production. In all these areas, scientists, engineers, and planners make use of mathematical models; these models describe the relevant transport processes that occur within controlled porous medium domains and enable forecasting of the future behavior of these domains in response to planned activities. The mathematical models, in turn, are based on the understanding of phenomena, often within the void space, and on theories that relate these phenomena to measurable quantities.Because of the pressing needs in areas of practical interest such as the development of groundwater energy storage and geothermal energy production, a vast amount of research in all these fields has contributed, especially in the last two decades, to our understanding and ability to describe transport phenomena in porous media. In recent years these research efforts have been significantly accelerated, attracting scientists from many disciplines. The practical needs of solving boundary value problems in heterogeneous domains, irregular boundaries, coupled phenomena and multiple dependent variables led to the development of a variety of powerful numerical techniques. The realization that fields are highly heterogeneous and that the degree of heterogeneity depends on the scale of the problem led to the introduction of stochastic concepts as an additional tool for the description of phenomena.

  16. 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.

  17. Coupling Hydrological and Geochemical Simulations to Assess Spatial Heterogeneity and Chemical Evolution of Groundwaters at Two Candidate Repository Sites in Sweden

    International Nuclear Information System (INIS)

    The chemical composition of groundwater surrounding a high level radioactive waste repository is of importance to many factors that affect repository performance. The geochemical characteristics of Swedish groundwater systems are governed by successive mixing events between several end-member waters during their paleogeographic evolution. An approach is proposed here to investigate the spatial and temporal evolution of groundwater geochemical conditions by coupling hydrogeological and geochemical models in a sequential way. The procedure combines hydrogeological results by others [1,2] of a discrete fracture network using CONNECTFLOW with a mixing and reaction-path simulation using PHREEQC. The hydrological results contain mixing proportions of four reference waters (a deep brine, glacial meltwater, marine water, and meteoric infiltration) at each time step and at every node of the 3D model domain. In this work, mixing fractions are fed into PHREEQC using software developed to build formatted input files and to extract the information from output files for subsequent plotting and analysis. The geochemical calculations included both chemical mixing and equilibrium reactions with selected minerals: calcite, chalcedony and an Fe(III) oxyhydroxide. Some results for the Forsmark site, about 170 km north of Stockholm, Sweden, are graphically presented. Cross sections, where each node is color-coded with respect to an important variable (pH, Eh or concentrations of main elements), are used to visualize the future evolution of the site. Sensitivity analyses were made to evaluate the effects of the different reactions and/or assumptions. The proposed methodology has proved useful for evaluating the future geochemical evolution of the repository sites and to increase the confidence in the site descriptions. (authors)

  18. Fabricating porous silicon carbide

    Science.gov (United States)

    Shor, Joseph S. (Inventor); Kurtz, Anthony D. (Inventor)

    1994-01-01

    The formation of porous SiC occurs under electrochemical anodization. A sample of SiC is contacted electrically with nickel and placed into an electrochemical cell which cell includes a counter electrode and a reference electrode. The sample is encapsulated so that only a bare semiconductor surface is exposed. The electrochemical cell is filled with an HF electrolyte which dissolves the SiC electrochemically. A potential is applied to the semiconductor and UV light illuminates the surface of the semiconductor. By controlling the light intensity, the potential and the doping level, a porous layer is formed in the semiconductor and thus one produces porous SiC.

  19. 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.

  20. 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.

  1. 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.

  2. 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. PMID:24988917

  3. 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.

  4. 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.

  5. Combustion within Porous Waste

    OpenAIRE

    Pfahl, Ulrich; Shepherd, Joseph E.; Unal, Cetin

    1998-01-01

    Flammable gases (primarily hydrogen and nitrous oxide but also ammonia and methane) are continuously being generated within the waste contained in the tank farms at Hanford Site. Some portions of the waste are porous and conceivably, a combustion event could occur within the waste due to accidental ignition. This has been postulated as a potential hazard since deflagrations and detonations are observed in laboratory experiments to propagate through combustible gases in porous materials, or ...

  6. Metal filled porous carbon

    Science.gov (United States)

    Gross, Adam F.; Vajo, John J.; Cumberland, Robert W.; Liu, Ping; Salguero, Tina T.

    2011-03-22

    A porous carbon scaffold with a surface and pores, the porous carbon scaffold containing a primary metal and a secondary metal, where the primary metal is a metal that does not wet the surface of the pores of the carbon scaffold but wets the surface of the secondary metal, and the secondary metal is interspersed between the surface of the pores of the carbon scaffold and the primary metal.

  7. 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.

  8. 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.

  9. Applied heterogeneous catalysis

    International Nuclear Information System (INIS)

    This reference book explains the scientific principles of heterogeneous catalysis while also providing details on the methods used to develop commercially viable catalyst products. A section of the book presents reactor design engineering theory and practices for the profitable application of these catalysts in large-scale industrial processes. A description of the mechanisms and commercial applications of catalysis is followed by a review of catalytic reaction kinetics. There are five chapters on selecting catalyst agents, developing and preparing industrial catalysts, measuring catalyst properties, and analyzing the physico-chemical characteristics of solid catalyst particles. The final chapter reviews the elements of catalytic reactor design, with emphasis on flow regimes vs. reactor types, heat and mass transfer in reactor beds, single- and multi-phase flows, and the effects of thermodynamics and other catalyst properties on the process flow scheme

  10. 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...... structures. The latter task is one for economists: "heterogeneity is too important to be left to the statisticians". The paper concludes with a report of our own research on dynamic discrete choice models that allow for maximal heterogeneity...

  11. 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.

  12. 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.

  13. Ultimate permeation across atomically thin porous graphene.

    Science.gov (United States)

    Celebi, Kemal; Buchheim, Jakob; Wyss, Roman M; Droudian, Amirhossein; Gasser, Patrick; Shorubalko, Ivan; Kye, Jeong-Il; Lee, Changho; Park, Hyung Gyu

    2014-04-18

    A two-dimensional (2D) porous layer can make an ideal membrane for separation of chemical mixtures because its infinitesimal thickness promises ultimate permeation. Graphene--with great mechanical strength, chemical stability, and inherent impermeability--offers a unique 2D system with which to realize this membrane and study the mass transport, if perforated precisely. We report highly efficient mass transfer across physically perforated double-layer graphene, having up to a few million pores with narrowly distributed diameters between less than 10 nanometers and 1 micrometer. The measured transport rates are in agreement with predictions of 2D transport theories. Attributed to its atomic thicknesses, these porous graphene membranes show permeances of gas, liquid, and water vapor far in excess of those shown by finite-thickness membranes, highlighting the ultimate permeation these 2D membranes can provide. PMID:24744372

  14. 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.

  15. Porous hydroxyapatite for artificial bone applications

    OpenAIRE

    I. Sopyan et al

    2007-01-01

    Hydroxyapatite (HA) has been used clinically for many years. It has good biocompatibility in bone contact as its chemical composition is similar to that of bone material. Porous HA ceramics have found enormous use in biomedical applications including bone tissue regeneration, cell proliferation, and drug delivery. In bone tissue engineering it has been applied as filling material for bone defects and augmentation, artificial bone graft material, and prosthesis revision surgery. Its high surfa...

  16. Reactive Transport Modeling of CO2-induced Porosity and Permeability Changes in Heterogeneous Carbonate Rocks

    Science.gov (United States)

    Hao, Y.; Smith, M. M.; Mason, H. E.; Carroll, S.

    2015-12-01

    It has long been appreciated that chemical interactions have a major effect on rock porosity and permeability evolution and may alter the behavior or performance of both natural and engineered reservoir systems. Such reaction-induced permeability evolution is of particular importance for geological CO2 sequestration and storage associated with enhanced oil recovery. In this study we used a three-dimensional Darcy scale reactive transport model to simulate CO2 core flood experiments in which the CO2-equilibrated brine was injected into dolostone cores collected from the Arbuckle carbonate reservoir, Wellington, Kansas. Heterogeneous distributions of macro pores, fractures, and mineral phases inside the cores were obtained from X-ray computed microtomography (XCMT) characterization data, and then used to construct initial model macroscopic properties including porosity, permeability, and mineral compositions. The reactive transport simulations were performed by using the Nonisothermal Unsaturated Flow and Transport (NUFT) code, and their results were compared with experimental data. It was observed both experimentally and numerically that the dissolution fronts became unstable in highly heterogeneous and less permeable formations, leading to the development of highly porous flow paths or wormholes. Our model results indicate that the continuum-scale reactive transport models are able to adequately capture the evolution of distinct dissolution fronts as observed in carbonate rocks at a core scale. The impacts of rock heterogeneity, chemical kinetics and porosity-permeability relationships were also examined in this study. The numerical model developed in this study will not only help improve understanding of coupled physical and chemical processes controlling carbonate dissolution, but also provide a useful basis for upscaling transport and reaction properties from core scale to field scale. This work was performed under the auspices of the U.S. Department of Energy

  17. 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.

  18. Foams in porous media

    Energy Technology Data Exchange (ETDEWEB)

    Marsden, S.S.

    1986-07-01

    In 1978 a literature search on selective blocking of fluid flow in porous media was done by Professor S.S. Marsden and two of his graduate students, Tom Elson and Kern Huppy. This was presented as SUPRI Report No. TR-3 entitled ''Literature Preview of the Selected Blockage of Fluids in Thermal Recovery Projects.'' Since then a lot of research on foam in porous media has been done on the SUPRI project and a great deal of new information has appeared in the literature. Therefore we believed that a new, up-to-date search should be done on foam alone, one which would be helpful to our students and perhaps of interest to others. This is a chronological survey showing the development of foam flow, blockage and use in porous media, starting with laboratory studies and eventually getting into field tests and demonstrations. It is arbitrarily divided into five-year time periods. 81 refs.

  19. Modeling of Flow, Transport and Controlled Sedimentation Phenomena during Mixing of Salt Solutions in Complex Porous Formations

    Science.gov (United States)

    Skouras, Eugene D.; Jaho, Sofia; Pavlakou, Efstathia I.; Sygouni, Varvara; Petsi, Anastasia; Paraskeva, Christakis A.

    2015-04-01

    The deposition of salts in porous media is a major engineering phenomenon encountered in a plethora of industrial and environmental applications where in some cases is desirable and in other not (oil production, geothermal systems, soil stabilization etc). Systematic approach of these problems requires knowledge of the key mechanisms of precipitating salts within the porous structures, in order to develop new methods to control the process. In this work, the development and the solution of spatiotemporally variable mass balances during salt solution mixing along specific pores were performed. Both analytical models and finite differences CFD models were applied for the study of flow and transport with simultaneous homogeneous and heterogeneous nucleation (by crystal growth on the surface of the pores) in simple geometries, while unstructured finite elements and meshless methods were developed and implemented for spatial discretization, reconstruction, and solution of transport equations and homogeneous / heterogeneous reactions in more complex geometries. At initial stages of this work, critical problem parameters were identified, such as the characteristics of the porosity, the number of dissolved components, etc. The parameters were then used for solving problems which correspond to available experimental data. For each combination of ions and materials, specific data and process characteristics were included: (a) crystal kinetics (nucleation, growth rates or reaction surface rates of crystals, critical suspension concentrations), (b) physico-chemical properties (bulk density, dimensions of generated crystals, ion diffusion coefficients in the solution), (c) operating parameters (macroscopic velocity, flow, or pressure gradient of the solution, ion concentration) (d) microfluidic data (geometry, flow area), (e) porosity data in Darcy description (initial porosity, specific surface area, tortuosity). During the modeling of flow and transport in three

  20. 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.

  1. 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).

  2. 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.

  3. Understanding generalized inversions of nuclear magnetic resonance transverse relaxation time in porous media

    International Nuclear Information System (INIS)

    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 −antek (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

  4. 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.)

  5. A heterogeneous multiscale method for poroelasticity

    Science.gov (United States)

    Delgado, Paul M.

    In this thesis, we develop and analyze a heterogeneous multiscale model for coupled fluid flow and solid deformation in porous media based on operator splitting and finite volume method. The splitting method results in two elliptic multiscale PDE's in the form of a reaction diffusion equation and a linear elasticity equation. We extend our previous multiscale method from 1D to higher dimensions and develop new approaches for the inclusion of mixed boundary conditions and source terms. We derive an error estimate for our multiscale method and analyze the stability of our splitting method. We also test the effectiveness of our method in the case of steady state linear poroelasticity.

  6. 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.

  7. Heterogeneous Catalyst Deactivation and Regeneration: A Review

    OpenAIRE

    Morris D. Argyle; Calvin H. Bartholomew

    2015-01-01

    Deactivation of heterogeneous catalysts is a ubiquitous problem that causes loss of catalytic rate with time. This review on deactivation and regeneration of heterogeneous catalysts classifies deactivation by type (chemical, thermal, and mechanical) and by mechanism (poisoning, fouling, thermal degradation, vapor formation, vapor-solid and solid-solid reactions, and attrition/crushing). The key features and considerations for each of these deactivation types is reviewed in detail with referen...

  8. Sucrose Inversion An Experiment on Heterogeneous Catalysis

    OpenAIRE

    Adélio Mendes; Magalhães, Fernão D.; Luis M. Madeira

    2003-01-01

    llustration of heterogeneous catalysis concepts in laboratory courses is not usually simple or economical. For our undergraduate senior lab course we have developed an environmentally friendly experiment dealing with several aspects of heterogeneous catalysis, having in mind the use of readily available and relatively inexpensive equipment, and chemicals on a compact setup, which students can safely operate. The experiment deals with the acid-catalyzed sucrose inversion, performed in packed b...

  9. Overview of medium heterogeneity and transport processes

    International Nuclear Information System (INIS)

    Medium heterogeneity can have significant impact on the behavior of solute transport. Tracer breakthrough curves from transport in a heterogeneous medium are distinctly different from that in a homogeneous porous medium. Usually the shape of the breakthrough curves are highly non-symmetrical with a fast rise at early times and very long tail at late times, and often, they consist of multiple peaks. Moreover, unlike transport in a homogeneous medium where the same transport parameters describe the entire medium, transport through heterogeneous media gives rise to breakthrough curves which have strong spatial dependence. These inherent characteristics of transport in heterogeneous medium present special challenge to the performance assessment of a potential high level nuclear waste repository with respect to the possible release of radio nuclides to the accessible environment. Since an inherently desirable site characteristic for a waste repository is that flow and transport should be slow, then transport measurements in site characterization efforts will necessarily be spatially small and temporally short compare to the scales which are of relevance to performance assessment predictions. In this paper we discuss the role of medium heterogeneity in site characterization and performance assessment. Our discussion will be based on a specific example of a 3D heterogeneous stochastic model of a site generally similar to, the Aespoe Island, the site of the Hard Rock Laboratory in Southern Sweden. For our study, alternative 3D stochastic fields of hydraulic conductivities conditioned on ''point'' measurements shall be generated. Results of stochastic flow and transport simulations would be used to address the issues of (1) the relationship of tracer breakthrough with the structure of heterogeneity, and (2) the inference from small scale testing results to large scale and long term predictions

  10. Simple method to generate and fabricate stochastic porous scaffolds

    International Nuclear Information System (INIS)

    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

  11. 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).

  12. 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.

  13. Characterization of porous media structure by non linear NMR methods.

    Science.gov (United States)

    Capuani, S; Alesiani, M; Alessandri, F M; Maraviglia, B

    2001-01-01

    In this paper we discuss the possibility of modifying the multiple spin echoes existing theory, developed for a homogeneous system, to describe also an inhomogeneous system such as a porous medium. We report here the first experimental application of MSE methods to materials like travertine. The ratio A(2)/A(1) from water in travertine presents minima for characteristic values of the delay time tau, like what was previously observed in the trabecular bone. By a judicious choice of the delay time tau and of the G gradient strength, the MSE sequence can be made sensitive to a specific length-scale of the sample heterogeneity. Furthermore the MSE image shows a particular new contrast that makes the non linear NMR method very attractive for the assessment of variations of the porous structure in porous systems. PMID:11445306

  14. Crystallization of amorphous silicon thin films deposited by PECVD on nickel-metalized porous silicon

    OpenAIRE

    Ben Slama, Sonia; Hajji, Messaoud; Ezzaouia, Hatem

    2012-01-01

    Porous silicon layers were elaborated by electrochemical etching of heavily doped p-type silicon substrates. Metallization of porous silicon was carried out by immersion of substrates in diluted aqueous solution of nickel. Amorphous silicon thin films were deposited by plasma-enhanced chemical vapor deposition on metalized porous layers. Deposited amorphous thin films were crystallized under vacuum at 750°C. Obtained results from structural, optical, and electrical characterizations show that...

  15. 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.

  16. Facile Synthesis of Porous Silicon Nanofibers by Magnesium Reduction for Application in Lithium Ion Batteries

    OpenAIRE

    Cho, Daehwan; Kim, Moonkyoung; Hwang, Jeonghyun; Park, Jay Hoon; Joo, Yong Lak; Jeong, Youngjin

    2015-01-01

    We report a facile fabrication of porous silicon nanofibers by a simple three-stage procedure. Polymer/silicon precursor composite nanofibers are first fabricated by electrospinning, a water-based spinning dope, which undergoes subsequent heat treatment and then reduction using magnesium to be converted into porous silicon nanofibers. The porous silicon nanofibers are coated with a graphene by using a plasma-enhanced chemical vapor deposition for use as an anode material of lithium ion batter...

  17. Staggered-Grid Finite Difference Method with Variable-Order Accuracy for Porous Media

    OpenAIRE

    Jinghuai Gao; Yijie Zhang

    2013-01-01

    The numerical modeling of wave field in porous media generally requires more computation time than that of acoustic or elastic media. Usually used finite difference methods adopt finite difference operators with fixed-order accuracy to calculate space derivatives for a heterogeneous medium. A finite difference scheme with variable-order accuracy for acoustic wave equation has been proposed to reduce the computation time. In this paper, we develop this scheme for wave equations in porous media...

  18. Nuclear magnetic relaxation of liquids in porous media

    International Nuclear Information System (INIS)

    Nuclear magnetic relaxation is useful for probing physical and chemical properties of liquids in porous media. Examples are given on high surface area porous materials including calibrated porous silica glasses, granular packings, plaster pastes, cement-based materials and natural porous materials, such as sandstone and carbonate rocks. Here, we outline our recent NMR relaxation work for these very different porous materials. For instance, low field NMR relaxation of water in calibrated granular packings leads to striking different pore-size dependencies of the relaxation times T1 and T2 when changing the amount of surface paramagnetic impurities. This allows separation of the diffusion and surface limited regimes of relaxation in these macroporous media. The magnetic field dependence of the nuclear spin-lattice relaxation rate 1/T1(ω0) is also a rich source of dynamical information for characterizing the molecular dynamics of liquids in porous media. This allows a continuous characterization of the evolving microstructure of various cementitious materials. Our recent applications of two-dimensional (2D) T1-T2 and T2-z-store-T2 correlation experiments have evidenced the water exchange in connected micropores of cement pastes. The direct probing of water adsorption time on a solid surface gives access to an original characterization of the surface nano-wettability of porous plaster pastes. We show that such a parameter depends directly on the physical chemistry of the pore surfaces. Lastly, we outline our recent measurements of wettability in oil/brine/reservoir carbonate rocks.

  19. 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...

  20. 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.

  1. 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.

  2. SCALE CHARACTERISTICS OF SPATIAL HETEROGENEITY OF SOIL CHEMICAL PROPERTIES IN GURBANTUNGGUT DESERT%古尔班通古特沙漠土壤化学性质空间异质性的尺度特征

    Institute of Scientific and Technical Information of China (English)

    李从娟; 李彦; 马健

    2011-01-01

    The study was designed to study spatial variation of soil pH, electrical conductivity, soil organic carbon,total nitrogen, available nitrogen, total phosphorus and available phosphorus, and scale characteristics of spatial heterogeneity of the soil chemical properties at various scales, such as rhizosphere, individual, population, topography and region,separately in the Gurbantunggut Desert, with the purpose of finding out at which scale the heterogeneity was the greatest and its dominating factor.Results show that soil pH demonstrating an order of individual > population > topography >region > rhizosphere, which indicated that the variation of soil pH in the desert ecosystem was dominated by the biotic progress of plant individual and population.The effects of topography, climate and hydraulics were very limited, and the effect of rhizosphere was the least.In terms of electrical conductivity, the scales followed the order of individual > region > population > topography > rhizosphere, which demonstrated that an individual of shrub played a dominating role in variation of soil salt around the taproot.For soil organic carbon, total nitrogen, available nitrogen and available phosphorus, the highest heterogeneity also existed at the individual scale, which was followed by the topography scale, and the least did at the population scale, which suggested shrub individuals were the factor dominating soil nutrients, topography was the next, and population was the least.For soil total phosphorus, heterogeneity was the highest at the scale of topography and the smallest at the scale of rhizosphere, indicating topography and plant individual were the major factors affecting heterogeneity of soil total phosphorus, and the rhizosphere was the least.%从根际(10-3m~10-2m)、个体(10-1m~100m)、种群(100m~101m)、地貌(101m~102m)和区域(103m~104m)五个作用因子所在的尺度对古尔班通古特沙漠土壤的pH、电导率、有机质、全

  3. 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.

  4. The multiphase flow and heat transfer in porous media

    OpenAIRE

    Starikovicius, V.

    2003-01-01

    In first part of this work, summaries of traditional Multiphase Flow Model and more recent Multiphase Mixture Model are presented. Attention is being paid to attempts include various heterogeneous aspects into models. In second part, MMM based differential model for two-phase immiscible flow in porous media is considered. A numerical scheme based on the sequential solution procedure and control volume based finite difference schemes for the pressure and saturation-conservation equations is de...

  5. Adsorption of lead at variable pH onto a natural porous medium: Modeling of batch and column experiments

    Energy Technology Data Exchange (ETDEWEB)

    Papini, M.P.; Kahie, Y.D.; Troia, B.; Majone, M.

    1999-12-15

    The surface complexation approach has been applied to describe the adsorption of lead and proton onto a heterogeneous natural porous medium at constant ionic strength. Acid-base titration experiments were used to determine the minimum number of sites needed to describe the surface heterogeneity. Lead adsorption tests at several pH and total lead concentration were used to complete the model structure, whose adjustable parameters (site concentration and apparent formation constants) were determined by nonlinear multivariate regression of titration and adsorption data. The final model represents the acid-base properties of the surface by the presence of two amphoteric sites, SOH and TOH, and a monoprotic one, MOH; whereas lead adsorption is considered only onto SOH and MOH sites. The model allows a good representation of the experimental behavior in the whole experimental range. Theoretical surface speciation shows that lead adsorption occurs mostly onto site MOH at low pH level and on both SOH and MOH sites at higher values. The model was independently validated by simulating Pb and pH breakthrough experiments performed in small chromatographic columns. Experimental breakthroughs are well predicted by an advection-dispersion transport model coupled with the chemical equilibrium routine (IMPACT), without any parameter adjustment. A large spreading of Pb and pH breakthroughs was calculated and experimentally observed, even in the absence of any kinetic effect. That spreading is explained in terms of the concomitant presence of competitive adsorption and surface heterogeneity.

  6. 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.

  7. 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.)

  8. 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

  9. New openings for porous systems research from intermolecular double-quantum NMR.

    Science.gov (United States)

    Capuani, S; Alesiani, M; Branca, R T; Maraviglia, B

    2004-01-01

    It has been recently recognized that residual intermolecular double-quantum coherences (iDQcs) provide a novel contrast mechanism to study heterogeneity in liquid systems. This is of much interest in the field of the physics of matter and biomedicine. Nowadays, literature concerning the behaviour of the iDQc signal originated by highly heterogeneous systems such as fluids in porous media is scarce. In this paper, we report and discuss our principal results about iDQc signal behaviour in confined liquid systems (trabecular bone, travertine, porous standard systems) and also some new results obtained on doped water in glass capillary pipes. PMID:14698403

  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. 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)

  12. 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.

  13. Strong, Lightweight, Porous Materials

    Science.gov (United States)

    Leventis, Nicholas; Meador, Mary Ann B.; Johnston, James C.; Fabrizio, Eve F.; Ilhan, Ulvi

    2007-01-01

    A new class of strong, lightweight, porous materials has been invented as an outgrowth of an effort to develop reinforced silica aerogels. The new material, called X-Aerogel is less hygroscopic, but no less porous and of similar density to the corresponding unmodified aerogels. However, the property that sets X-Aerogels apart is their mechanical strength, which can be as much as two and a half orders of magnitude stronger that the unmodified aerogels. X-Aerogels are envisioned to be useful for making extremely lightweight, thermally insulating, structural components, but they may also have applications as electrical insulators, components of laminates, catalyst supports, templates for electrode materials, fuel-cell components, and filter membranes.

  14. Evaporation from heterogeneous soil surfaces

    Science.gov (United States)

    Lehmann, P.; Or, D.

    2009-04-01

    Evaporation rate is a key process of water exchange between soil surfaces and atmosphere and is controlled by both atmospheric demand and soil hydraulic properties. Initially high evaporation rates are sustained by capillary-induced water flow from receding drying front to evaporating surface. In heterogeneous soils air invades preferentially coarse-textured regions whereas fine textured surface regions remain water saturated. We investigated experimentally and numerically effects of hydraulic coupling on drying rate of heterogeneous porous media. Laboratory experiments with vertical contrasts between fine (0.1-0.5 mm) and coarse sand (0.3-0.9 mm) showed that the period of high drying rate was extended compared to evaporation from homogeneous materials. Water flow from coarse material to supply water evaporated from fine textured surface was monitored by neutron radiography imaging. Due to the high hydraulic conductivity of the coarse material the viscous head loss could be neglected for flow distances analyzed in the experiments (hydraulic coupling on evaporation for a wide range of soil textural classes at plot scale. When the drying front in the coarse reaches a certain characteristic depth (defined by the pore size distribution) no water evaporates from the coarse surface, yet, subsurface flow from coarse to the fine textured inclusion persists and feeds enhanced evaporation rate. Assuming energy input was not limiting, evaporation from the fine textured inclusion may increase to compensate reduction of evaporating surface. For loam or silt as inclusion in sandy material, water was extracted from regions with more than 10 m in distance before flow was limited by viscous effects. In case of clay inclusions the radius of water extraction was smaller due to enhanced viscous resistance. The findings of the numerical study can be applied as well to assess the effect of shrubs or compacted trafficked zones on the drying rate from coarse textured material.

  15. Evaporation from heterogeneous soil surfaces

    Science.gov (United States)

    Lehmann, P.; Or, D.

    2009-04-01

    Evaporation rate is a key process of water exchange between soil surfaces and atmosphere and is controlled by both atmospheric demand and soil hydraulic properties. Initially high evaporation rates are sustained by capillary-induced water flow from receding drying front to evaporating surface. In heterogeneous soils air invades preferentially coarse-textured regions whereas fine textured surface regions remain water saturated. We investigated experimentally and numerically effects of hydraulic coupling on drying rate of heterogeneous porous media. Laboratory experiments with vertical contrasts between fine (0.1-0.5 mm) and coarse sand (0.3-0.9 mm) showed that the period of high drying rate was extended compared to evaporation from homogeneous materials. Water flow from coarse material to supply water evaporated from fine textured surface was monitored by neutron radiography imaging. Due to the high hydraulic conductivity of the coarse material the viscous head loss could be neglected for flow distances analyzed in the experiments (soil textural classes at plot scale. When the drying front in the coarse reaches a certain characteristic depth (defined by the pore size distribution) no water evaporates from the coarse surface, yet, subsurface flow from coarse to the fine textured inclusion persists and feeds enhanced evaporation rate. Assuming energy input was not limiting, evaporation from the fine textured inclusion may increase to compensate reduction of evaporating surface. For loam or silt as inclusion in sandy material, water was extracted from regions with more than 10 m in distance before flow was limited by viscous effects. In case of clay inclusions the radius of water extraction was smaller due to enhanced viscous resistance. The findings of the numerical study can be applied as well to assess the effect of shrubs or compacted trafficked zones on the drying rate from coarse textured material.

  16. Heterogeneous Social Preferences

    OpenAIRE

    Erlei, Mathias

    2003-01-01

    Recent research has shown the usefulness of social preferences for explaining behavior in laboratory experiments. This paper demonstrates that models of social preferences are particularly powerful in explaining behavior if they are embedded in a setting of heteroge-neous actors with heterogeneous (social) preferences. For this purpose a simple model is in-troduced that combines the basic ideas of inequity aversion, social welfare preferences, recip-rocity and heterogeneity. This model is app...

  17. Heterogeneous Chemistry in Global Chemistry Transport Models

    Science.gov (United States)

    Stadtler, Scarlet; Simpson, David; Schultz, Martin; Bott, Andreas

    2016-04-01

    The impact of six tropospheric heterogeneous reactions on ozone and nitrogen species was studied using two chemical transport models EMEP MSC-W and ECHAM6-HAMMOZ. Since heterogeneous reactions depend on reactant concentrations (in this study these are N_2O_5, NO_3, NO_2, O_3, HNO_3, HO_2) and aerosol surface area S_a, the modeled surface area of both models was compared to a satellite product retrieving the surface area. This comparison shows a good agreement in global pattern and especially the capability of both models to capture the extreme aerosol loadings in East Asia. Further, the impact of the heterogeneous reactions was evaluated by the simulation of a reference run containing all heterogeneous reactions and several sensitivity runs. One reaction was turned off in each sensitivity run to compare it with the reference run. As previously shown, the analysis of the sensitivity runs shows that the globally most important heterogeneous reaction is the one of N_2O_5. Nevertheless, NO_2, NO_3, HNO3 and HO2 heterogeneous reactions gain relevance particular in East China due to presence of high NOx concentrations and high Sa in the same region. The heterogeneous reaction of O3 itself on dust is compared to the other heterogeneous reactions of minor relevance. Evaluation of the models with northern hemispheric ozone surface observations yields a better agreement of the models with observations when the heterogeneous reactions are incorporated. Impacts of emission changes on the importance of the heterogeneous chemistry will be discussed.

  18. Synthesis and characterization of nanostructured Ag on porous titania

    International Nuclear Information System (INIS)

    In this work, porous titania was prepared on bulk Ti by chemical oxidation, and then nanostructured silver (Ag) was deposited on titania surface by ion beam sputtering. After annealing treatment, Ag/TiO2 composites were characterized using X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Results indicated that a nano-porous titania layer with mean pore size of 150 nm and thickness of 1 μm was formed by chemical oxidation at 80 deg. C for 45 min. There were three Ag species (Ag (0), Ag (1+), and Ag (2+)) on composites surface after annealing treatment, and metallic Ag content achieved maximum value with annealing temperature of 500 deg. C in air. Ag showed high thermal stability being partly attributed to the inhibiting the diffusion of Ag by the underlying porous titania.

  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. 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. PMID:23744799

  1. Multifunctional porous solids derived from tannins

    International Nuclear Information System (INIS)

    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.

  2. 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.

  3. Analysis of binding heterogeneity.

    NARCIS (Netherlands)

    Nederlof, M.M.

    1992-01-01

    Binding heterogeneity, due to different functional groups on a reactive surface, plays an important role in the binding of small molecules or ions to many adsorbents, both in industrial processes and in natural environments. The binding heterogeneity is described by a distribution of affinity consta

  4. Electroless porous silicon formation applied to fabrication of boron-silica-glass cantilevers

    DEFF Research Database (Denmark)

    Teva, Jordi; Davis, Zachary James; Hansen, Ole

    2010-01-01

    This work describes the characterization and optimization of anisotropic formation of porous silicon in large volumes (0.5-1 mm3) of silicon by an electroless wet etching technique. The main goal is to use porous silicon as a sacrificial volume for bulk micromachining processes, especially in cases...... where etching of the full wafer thickness is needed. The porous silicon volume is formed by a metal-assisted etching in a wet chemical solution composed of hydrogen peroxide (30%), hydrofluoric acid (40%) and ethanol. This paper focuses on optimizing the etching conditions in terms of maximizing...... for bio-chemical sensors. The porous silicon volume is formed in an early step of the fabrication process, allowing easy handling of the wafer during all of the micromachining processes in the process flow. In the final process step, the porous silicon is quickly etched by immersing the wafer in a KOH...

  5. 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.

  6. Coupled Flow and Reactivity in the Variably Saturated Porous Media

    Energy Technology Data Exchange (ETDEWEB)

    Palmer, Carl; Smith Bob W.

    2003-06-01

    This Environmental Management Science Program project (86598) is a collaborative effort between the University of Idaho (UI) and the Idaho National Engineering and Environmental Laboratory (INEEL) with the goal of developing a better understanding of the relationships between chemical reactivity, moisture content, and reactive transport for vadose zone porous media.

  7. 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...

  8. 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.

  9. 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.

  10. 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.

  11. Nanocarbon-Coated Porous Anodic Alumina for Bionic Devices

    OpenAIRE

    Morteza Aramesh; Wei Tong; Kate Fox; Ann Turnley; Dong Han Seo; Steven Prawer; Kostya (Ken) Ostrikov

    2015-01-01

    A highly-stable and biocompatible nanoporous electrode is demonstrated herein. The electrode is based on a porous anodic alumina which is conformally coated with an ultra-thin layer of diamond-like carbon. The nanocarbon coating plays an essential role for the chemical stability and biocompatibility of the electrodes; thus, the coated electrodes are ideally suited for biomedical applications. The corrosion resistance of the proposed electrodes was tested under extreme chemical conditions, su...

  12. Graphene: A Promising Two-Dimensional Support for Heterogeneous Catalysts

    OpenAIRE

    Fan, Xiaobin

    2015-01-01

    Graphene has many advantages that make it an attractive two-dimensional (2D) support for heterogeneous catalysts. It not only allows the high loading of targeted catalytic species but also facilitates the mass transfer during the reaction processes. These advantages, along with its unique physical and chemical properties, endow graphene great potential as catalyst support in heterogeneous catalysis.

  13. 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

  14. 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.

  15. 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.)

  16. 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.

  17. 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

  18. Inverse opal ceria–zirconia: architectural engineering for heterogeneous catalysis

    OpenAIRE

    Umeda, G. A.; Chueh, William C.; Noailles, Liam; Haile, Sossina M.; Dunn, B. S.

    2008-01-01

    The application of inverse opal structured materials is extended to the ceria–zirconia (Ce_(0.5)Zr_(0.5)O_2) system and the significance of material architecture on heterogeneous catalysis, specifically, chemical oxidation, is examined.

  19. Wetting of porous solids.

    Science.gov (United States)

    Patkar, Saket; Chaudhuri, Parag

    2013-09-01

    This paper presents a simple, three stage method to simulate the mechanics of wetting of porous solid objects, like sponges and cloth, when they interact with a fluid. In the first stage, we model the absorption of fluid by the object when it comes in contact with the fluid. In the second stage, we model the transport of absorbed fluid inside the object, due to diffusion, as a flow in a deforming, unstructured mesh. The fluid diffuses within the object depending on saturation of its various parts and other body forces. Finally, in the third stage, oversaturated parts of the object shed extra fluid by dripping. The simulation model is motivated by the physics of imbibition of fluids into porous solids in the presence of gravity. It is phenomenologically capable of simulating wicking and imbibition, dripping, surface flows over wet media, material weakening, and volume expansion due to wetting. The model is inherently mass conserving and works for both thin 2D objects like cloth and for 3D volumetric objects like sponges. It is also designed to be computationally efficient and can be easily added to existing cloth, soft body, and fluid simulation pipelines. PMID:23846102

  20. Rapid response of thermo-sensitive hydrogels with porous structures

    Science.gov (United States)

    Maeda, Shingo; Kato, Terukazu; Kogure, Hikaru; Hosoya, Naoki

    2015-04-01

    Poly(N-isopropylacrylamide)(PNIPAAm) hydrogel is thermo-sensitive, and undergoes a volume phase transition from a swollen state to a shrunken state. Typically, after immersing poly(N-isopropylacrylamide) hydrogels into hot water above the critical temperature, they undergo a two-step shrinking process, which leads to very slow dynamics. However, potential applications, including soft actuators, drug delivery systems, and cell cultures, demand a quick response. Herein, we synthesize chemically crosslinked PNIPAAm porous hydrogels made of nanofiber mats. Our hydrogels rapidly shrink without the two-step shrinking. The response of this porous gel is over 100 times faster than that of the typical gel.

  1. The significance of heterogeneity on mass flux from DNAPL source zones: an experimental investigation.

    Science.gov (United States)

    Page, John W E; Soga, Kenichi; Illangasekare, Tissa

    2007-12-01

    Understanding the process of mass transfer from source zones of aquifers contaminated with organic chemicals in the form of dense non-aqueous phase liquids (DNAPL) is of importance in site management and remediation. A series of intermediate-scale tank experiments was conducted to examine the influence of aquifer heterogeneity on DNAPL mass transfer contributing to dissolved mass emission from source zone into groundwater under natural flow before and after remediation. A Tetrachloroethylene (PCE) spill was performed into six source zone models of increasing heterogeneity, and both the spatial distribution of the dissolution behavior and the net effluent mass flux were examined. Experimentally created initial PCE entrapment architecture resulting from the PCE migration was largely influenced by the coarser sand lenses and the PCE occupied between 30 and 60% of the model aquifer depth. The presence of DNAPL had no apparent effect on the bulk hydraulic conductivity of the porous media. Up to 71% of PCE mass in each of the tested source zone was removed during a series of surfactant flushes, with associated induced PCE mobilization responsible for increasing vertical DNAPL distributions. Effluent mass flux due to water dissolution was also found to increase progressively due to the increase in NAPL-water contact area even though the PCE mass was reduced. Doubling of local groundwater flow velocities showed negligible rate-limited effects at the scale of these experiments. Thus, mass transfer behavior was directly controlled by the morphology of DNAPL within each source zone. Effluent mass flux values were normalized by the up-gradient DNAPL distributions. For the suite of aquifer heterogeneities and all remedial stages, normalized flux values fell within a narrow band with mean of 0.39 and showed insensitivity to average source zone saturations. PMID:17706832

  2. 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)

  3. Method for forming a chemical microreactor

    Science.gov (United States)

    Morse, Jeffrey D.; Jankowski, Alan

    2009-05-19

    Disclosed is a chemical microreactor that provides a means to generate hydrogen fuel from liquid sources such as ammonia, methanol, and butane through steam reforming processes when mixed with an appropriate amount of water. The microreactor contains capillary microchannels with integrated resistive heaters to facilitate the occurrence of catalytic steam reforming reactions. Two distinct embodiment styles are discussed. One embodiment style employs a packed catalyst capillary microchannel and at least one porous membrane. Another embodiment style employs a porous membrane with a large surface area or a porous membrane support structure containing a plurality of porous membranes having a large surface area in the aggregate, i.e., greater than about 1 m.sup.2/cm.sup.3. Various methods to form packed catalyst capillary microchannels, porous membranes and porous membrane support structures are also disclosed.

  4. 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.

  5. An overview of recent development in composite catalysts from porous materials for various reactions and processes.

    Science.gov (United States)

    Xie, Zaiku; Liu, Zhicheng; Wang, Yangdong; Yang, Qihua; Xu, Longya; Ding, Weiping

    2010-01-01

    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. PMID:20559508

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Characterization of Paper Heterogeneity

    Science.gov (United States)

    Considine, John M.

    Paper and paperboard are the most widely-used green materials in the world because they are renewable, recyclable, reusable, and compostable. Continued and expanded use of these materials and their potential use in new products requires a comprehensive understanding of the variability of their mechanical properties. This work develops new methods to characterize the mechanical properties of heterogeneous materials through a combination of techniques in experimental mechanics, materials science and numerical analysis. Current methods to analyze heterogeneous materials focus on crystalline materials or polymer-crystalline composites, where material boundaries are usually distinct. This work creates a methodology to analyze small, continuously-varying stiffness gradients in 100% polymer systems and is especially relevant to paper materials where factors influencing heterogeneity include local mass, fiber orientation, individual pulp fiber properties, local density, and drying restraint. A unique approach was used to understand the effect of heterogeneity on paper tensile strength. Additional variation was intentionally introduced, in the form of different size holes, and their effect on strength was measured. By modifying two strength criteria, an estimate of strength in the absence of heterogeneity was determined. In order to characterize stiffness heterogeneity, a novel load fixture was developed to excite full-field normal and shear strains for anisotropic stiffness determination. Surface strains were measured with digital image correlation and were analyzed with the VFM (Virtual Fields Method). This approach led to VFM-identified stiffnesses that were similar to values determined by conventional tests. The load fixture and VFM analyses were used to measure local stiffness and local stiffness variation on heterogeneous anisotropic materials. The approach was validated on simulated heterogeneous materials and was applied experimentally to three different paperboards

  12. 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.

  13. Polycrystalline Silicon Gettered by Porous Silicon and Heavy Phosphorous Diffusion

    Institute of Scientific and Technical Information of China (English)

    LIU Zuming(刘祖明); Souleymane K Traore; ZHANG Zhongwen(张忠文); LUO Yi(罗毅)

    2004-01-01

    The biggest barrier for photovoltaic (PV) utilization is its high cost, so the key for scale PV utilization is to further decrease the cost of solar cells. One way to improve the efficiency, and therefore lower the cost, is to increase the minority carrier lifetime by controlling the material defects. The main defects in grain boundaries of polycrystalline silicon gettered by porous silicon and heavy phosphorous diffusion have been studied. The porous silicon was formed on the two surfaces of wafers by chemical etching. Phosphorous was then diffused into the wafers at high temperature (900℃). After the porous silicon and diffusion layers were removed, the minority carrier lifetime was measured by photo-conductor decay. The results show that the lifetime's minority carriers are increased greatly after such treatment.

  14. 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.

  15. Rationally designed porous silicon as platform for optical biosensors

    International Nuclear Information System (INIS)

    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: ► Mesoporous silicon structure ► Functionalization of mesoporous silicon as sensors ► Design of the one-dimensional photonic crystal ► Simulation of non-uniformity in covering the sensor structure

  16. 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.

  17. Preparation and Gas Adsorption of Porous Materials from Molecular Precursors

    DEFF Research Database (Denmark)

    Hu, Xinming

    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......), and H2 (2.0 wt%, 77 K and 1.0 bar). Chapters 5, 6, and 7 deal with the construction of triazatriangulenium (TATA)-based ionic porous frameworks. A variety of polycondensation reactions have been applied, but only FeCl3-promoted oxidative polymerization of thiophene-/carbazolefunctionalized TATAs...... rise to significant red-shift of absorption/emission and reduction of fluorescence lifetime and quantum yield Transition-metal-catalyzed and organolithium-mediated reactions provide polymers with only macroporous interparticle voids and thus very low surface areas (4−51 m2 g−1). Attempts have been also...

  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. Flow-induced channelization in a porous medium

    CERN Document Server

    Mahadevan, Amala

    2010-01-01

    We propose a theory for erosional channelization induced by fluid flow in a saturated granular porous medium. When the local fluid flow-induced stress is larger than a critical threshold, grains are dislodged and carried away so that the porosity of the medium is altered by erosion. This in turn affects the local hydraulic conductivity and pressure in the medium and results in the growth and development of channels that preferentially conduct the flow. Our multiphase model involves a dynamical porosity field that evolves along with the volume fraction of the mobile and immobile grains in response to fluid flow that couples the spatiotemporal dynamics of the three phases. Numerical solutions of the resulting initial boundary value problem show how channels form in porous media and highlights how heterogeneity in the erosion threshold dictates the form of the patterns and thus the ability to control them.

  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. 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

  2. Experimental Study of Movement and Distribution of Dense Organic Contaminants in Heterogeneous Aquifers

    DEFF Research Database (Denmark)

    Illangasekare, Tissa H.; Ramsey Jr., James L.; Jensen, Karsten Høgh;

    1995-01-01

    An experimental study of the migration of denser-than-water nonaqueous phase organic contaminants through heterogeneous porous media was carried out. The purpose of the study was to observe the flow and record the migration of the contaminant to gain a fundamental insight into the way aquifer...

  3. A detailed approach to model transport, heterogeneous chemistry, and electrochemistry in solid-oxide fuel cells

    OpenAIRE

    Janardhanan, Vinod

    2007-01-01

    This book lays out a numerical framework for the detailed description of heterogeneous chemistry, electrochemistry and porous media transport in solid-oxide fuel cells (SOFC). Assuming hydrogen as the only electrochemically active species, a modified Butler-Volmer equation is used to model the electrochemical charge transfer.

  4. 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

  5. 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...

  6. 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 the effect of aquifer heterogeneities on autotrophic denitrification. We will investigate the link between heterogeneous hydraulic properties, transport, and the rate of autotrophic denitrification. Data collected in previous studies in laboratory experiments and pumping site scale experiments will be used to validate the models. The ultimate objective of this project is to develop a model in which such coupled processes are better understood resulting in best management practices of groundwater.

  7. Investigation of Critical Heat Flux Enhancement for Porous and Non-porous Structures without Surface Wettability Improvement

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Han; Bang, In Cheol [Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of)

    2014-05-15

    Nanoparticles and nano-sheets have been used in base fluids to enhance the BHT and CHF. Nanoparticles such as Al{sub 2}O{sub 3}, TiO{sub 2}, ZnO, Ag, Au and SiC have been studied for investigating the enhancement in the BHT and CHF. Most of the studies illustrated the enhancement in the heat transfer and CHF based on nanoparticle deposition during boiling occurrences. Research on nanotechnology in boiling experiments such as the deposition of particles on heating surfaces, nanowires, and thin film coatings laid on a substrate was investigated as point of effective heat transfer methods. A theoretical model to predict the CHF based on the dynamic receding contact angle, which includes surface-liquid interaction effects, was accommodated the change of surface wettability due to the deposition of nanoparticles. Park et al., however, reported the reverse results that the enhancement in the CHF could not be explained by the relation of the improved surface wettability. They focused on the change of hydrodynamic instability wavelength due to the deposition of nanoparticles and concluded that the change of instability wavelength could be considered as the CHF enhancement mechanism. Therefore, an experimental CHF study without the change of surface wettability should be conducted to define the parameters attributing to the CHF. This paper presents a study on the enhancement BHT and CHF with porous and non-porous surfaces deposited on a bare indium tin oxide (ITO) surface using FC-72 refrigerant. Plasma enhanced chemical vapor deposition (PECVD) system was applied to deposit the SiC surface as non-porous structure and porous SiC-coated surface was manufactured by deposition of nanoparticles. For graphene surface, rapid thermal annealing (RTA) method and nanoparticles of graphene oxide were used for non-porous and porous structure, respectively. In the present work the study of the BHT and CHF is conducted using non-porous and porous heater surfaces without the effect of

  8. Biocompatibility and osteogenic properties of porous tantalum

    OpenAIRE

    Wang, Qian; Zhang, Hui; LI, QIJIA; Ye,Lei; GAN, HONGQUAN; Liu, Yingjie; Wang, Hui; Wang, Zhiqiang

    2015-01-01

    Porous tantalum has been reported to be a promising material for use in bone tissue engineering. In the present study, the biocompatibility and osteogenic properties of porous tantalum were studied in vitro and in vivo. The morphology of porous tantalum was observed using scanning electron microscopy (SEM). Osteoblasts were cultured with porous tantalum, and cell morphology, adhesion and proliferation were investigated using optical microscopy and SEM. In addition, porous tantalum rods were i...

  9. 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.

  10. 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.

  11. Isotopes in heterogeneous catalysis

    CERN Document Server

    Hargreaves, Justin SJ

    2006-01-01

    The purpose of this book is to review the current, state-of-the-art application of isotopic methods to the field of heterogeneous catalysis. Isotopic studies are arguably the ultimate technique in in situ methods for heterogeneous catalysis. In this review volume, chapters have been contributed by experts in the field and the coverage includes both the application of specific isotopes - Deuterium, Tritium, Carbon-14, Sulfur-35 and Oxygen-18 - as well as isotopic techniques - determination of surface mobility, steady state transient isotope kinetic analysis, and positron emission profiling.

  12. Investigation of the influence of heterogeneous porosity on matrix diffusion: A novel approach using adaptive tree-multigrid technique and real porosity data

    International Nuclear Information System (INIS)

    Matrix diffusion, advection and chemical reactions are the three most important mechanisms responsible for radionuclide migration in porous media. Last year the authors developed a two-dimensional deterministic heterogeneous matrix diffusion model, which is capable of utilizing porosity information originating from real drill-core samples. The results of numerical infiltration experiment they had performed with the model displayed substantial spatial variations in the penetration depth. Because it is practically impossible to verify experimentally those two-dimensional penetration profiles they had computed, this time they decided to try modelling of measured leaching curves. Unfortunately they have not succeeded in acquiring such curves for the exact same samples, which they have used in numerical leaching experiments. Nevertheless it can be seen, that the shape of leaching curves computed with the heterogeneous model is clearly closer to the shape of measured curves, than the shape of curves provided by the standard model. These differences can be utilized as a basis for an approximate numerical method of assessing the geometric factor, which has traditionally been a purely empirical parameter. The results of the new numerical experiments agree with the older results from last year: the heterogeneity of the rock matrix has highly significant impact on the diffusion. However, when interpreting the results, one must not neglect numerous limitations of the model, and hence, one should not attempt to overgeneralize the conclusions

  13. Characterizing unsaturated diffusion in porous tuff gravel

    International Nuclear Information System (INIS)

    Evaluation of solute diffusion in unsaturated porous gravel is very important for investigations of contaminant transport and remediation, risk assessment, and waste disposal (for example, the potential high-level nuclear waste repository at Yucca Mountain, Nevada). For a porous aggregate medium such as granular tuff, the total water content is comprised of surface water and interior water. The surface water component (water film around grains and pendular water between the grain contacts) could serve as a predominant diffusion pathway. To investigate the extent to which surface water films and contact points affect solute diffusion in unsaturated gravel, we examined the configuration of water using x-ray computed tomography in partially saturated gravel, and made quantitative measurements of diffusion at multiple water contents using two different techniques. In the first, diffusion coefficients of potassium chloride in 2-4 mm granular tuff at multiple water contents were calculated from electrical conductivity measurements using the Nernst-Einstein equation. In the second, we used laser ablation with inductively coupled plasma-mass spectrometry to perform micro-scale mapping, allowing the measurement of diffusion coefficients for a mixture of chemical tracers for tuff cubes and tetrahedrons having two contact geometries (cube-cube and cube-tetrahedron). The x-ray computed tomography images show limited contact between grains, and this could hinder the pathways for diffusive transport. Experimental results show the critical role of surface water in controlling transport pathways and hence the magnitude of diffusion. Even with a bulk volumetric water content of 1.5%, the measured solute diffusion coefficient is as low as 1.5 x 10-14 m2/s for tuff gravel. Currently used diffusion models relating diffusion coefficients to total volumetric water content inadequately describe unsaturated diffusion behavior in porous gravel at very low water contents

  14. Heterogeneous Computing in Economics

    DEFF Research Database (Denmark)

    Dziubinski, M.P.; Grassi, S.

    2014-01-01

    This paper shows the potential of heterogeneous computing in solving dynamic equilibrium models in economics. We illustrate the power and simplicity of C++ Accelerated Massive Parallelism (C++ AMP) recently introduced by Microsoft. Starting from the same exercise as Aldrich et al. (J Econ Dyn...

  15. Heterogeneity and option pricing

    NARCIS (Netherlands)

    Benninga, Simon; Mayshar, Joram

    2000-01-01

    An economy with agents having constant yet heterogeneous degrees of relative risk aversion prices assets as though there were a single decreasing relative risk aversion pricing representative agent. The pricing kernel has fat tails and option prices do not conform to the Black-Scholes formula. Impli

  16. 应用镁金属化学还原法制备多孔 Si/Si-O-C 负极材料机理研究%Mechanism of porous Si/Si-O-C anode material prepared by chemical reduction with magnesium

    Institute of Scientific and Technical Information of China (English)

    郑春满; 刘相; 谢凯; 韩喻

    2016-01-01

    以二乙烯基苯和聚硅氧烷为原料经先驱体转化法制备 Si-O-C 材料,利用镁金属在惰性气氛保护下高温还原制备多孔的 Si /Si-O-C 负极材料。利用 X 射线衍射、能谱分析、元素分析和场发射扫描电镜分析多孔 Si /Si-O-C 负极材料的组成、结构、形貌,从而研究利用镁金属化学还原法制备多孔 Si /Si-O-C 负极材料的机理。结果表明,镁金属在还原过程中生成 MgO 和 Mg2 SiO4等产物,经 HCl 洗涤后可形成多孔的 Si /Si-O-C 负极材料。Si /Si-O-C 材料中的单质硅分布于多孔的 Si-O-C 相中,一定程度上可缓解 Si 在循环过程中产生的体积效应。利用镁金属还原 Si-O-C 材料制备多孔 Si /Si-O-C 材料是一种可行的制备方法。%Si-O-C material was prepared by a polymer-derived method using copolymer of phenyl-substituted polysiloxane and divinylbenzene as raw materials.The porous Si /Si-O-C anode material was prepared with the chemical reduction of Si-O-C material by magnesium at high temperature under argon atmosphere.The composition,structure,morphology,and formation process of porous Si /Si-O-C anode material were investigated by X-ray diffraction, energy spectrum analysis, elemental analysis and field emission scanning electron microscope. The electrochemical properties of the material were characterized by using the electrochemical test instrument.The research results show that the magnesium will react with oxygen of Si-O-C material and turn into MgO and Mg2 SiO4 during the reduction process.When washed with HCl,MgO and Mg2 SiO4 react with HCl and turn into MgCl2 ,which can dissolve in the solution.Then,the porous Si /Si-O-C anode materials are formed.The silicon distribute in the porous Si-O-C material,which can improve the cycle performance of silicon.It can confirms that the material prepared by using magnesium reduction method is a potential material for the lithium-ion battery.

  17. Facile synthesis of porous ZnO microbelts and analysis of their gas-sensing property

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Jiarui, E-mail: jrhuang@mail.anhu.edu.cn; Shi, Chengcheng; Fu, Guijun; Sun, Pingping; Wang, Xinyue; Gu, Cuiping, E-mail: cpgu2008@mail.ahnu.edu.cn

    2014-04-01

    Porous ZnO microbelts were achieved using a facile chemical solution method combined with subsequent calcination. The micro-nanostructures were characterized through X-ray diffraction, field emission scanning electron microscopy, thermogravimetric-differential thermal analysis, and Brunauer–Emmett–Teller N{sub 2} adsorption-desorption analyses, among others. The BET surface area of the porous ZnO microbelts was calculated at 23.0 m² g{sup −1}. Furthermore, the gas sensing properties of the as-prepared porous ZnO microbelts were investigated using volatile organic compounds. Compared with ZnO microflowers, the porous ZnO microbelts exhibited higher response with certain organic vapors, such as formaldehyde, acetone, and ethanol. The responses to 100 ppm formaldehyde, acetone, and ethanol were 45.7, 40.6, and 38.4, respectively, at a working temperature of 300 °C. The results showed that the porous ZnO microbelts are highly promising candidates for gas sensing applications. - Highlights: • Zinc glycinate monohydrate microwires were obtained by a chemical solution method. • Porous ZnO microbelts were achieved after calcinations. • The porous ZnO microbelts exhibit superior gas-sensing property.

  18. Heterogeneous partial oxidation catalysis on metal oxides

    OpenAIRE

    Védrine, Jacques C.; Fechete, Ioana

    2016-01-01

    International audience This review paper presents an overview of heterogeneous selective ammoxidation and oxidative dehydrogenation (ODH) of light alkanes, particularly of ethane. The conversion of ethane to ethene is in great demand in the domestic and worldwide chemical industry. The review has been voluntarily restricted to metal oxide-type catalysts, as it is devoted to the special issue honouring Edmond Payen and is based on 30 years of experience and discussions with pioneering scien...

  19. Surface-Enhanced Raman Spectroscopy for Heterogeneous Catalysis Research

    NARCIS (Netherlands)

    Harvey, C.E.

    2013-01-01

    Raman spectroscopy is valuable characterization technique for the chemical analysis of heterogeneous catalysts, both under ex-situ and in-situ conditions. The potential for Raman to shine light on the chemical bonds present in a sample makes the method highly desirable for detailed catalyst characte

  20. Thermal Annealing induced relaxation of compressive strain in porous GaN structures

    KAUST Repository

    Ben Slimane, Ahmed

    2012-01-01

    The effect of annealing on strain relaxation in porous GaN fabricated using electroless chemical etching is presented. The Raman shift of 1 cm-1 in phonon frequency of annealed porous GaN with respect to as-grown GaN corresponds to a relaxation of compressive strain by 0.41 ± 0.04 GPa. The strain relief promises a marked reduction in threading dislocation for subsequent epitaxial growth.

  1. Applicability of linearized Dusty Gas Model for multicomponent diffusion of gas mixtures in porous solids

    OpenAIRE

    Marković Jelena; Omorjan Radovan

    2007-01-01

    The transport of gaseous components through porous media could be described according to the well-known Fick model and its modifications. It is also known that Fick’s law is not suitable for predicting the fluxes in multicomponent gas mixtures, excluding binary mixtures. This model is still frequently used in chemical engineering because of its simplicity. Unfortunately, besides the Fick’s model there is no generally accepted model for mass transport through porous media (membranes, catalysts...

  2. Influence of the Gas-Water Interface on Transport of Microorganisms through Unsaturated Porous Media

    OpenAIRE

    Wan, Jiamin; Wilson, John L.; Kieft, Thomas L.

    1994-01-01

    In this article, a new mechanism influencing the transport of microorganisms through unsaturated porous media is examined, and a new method for directly visualizing bacterial behavior within a porous medium under controlled chemical and flow conditions is introduced. Resting cells of hydrophilic and relatively hydrophobic bacterial strains isolated from groundwater were used as model microorganisms. The degree of hydrophobicity was determined by contact-angle measurements. Glass micromodels a...

  3. Mixing, spreading and reaction in heterogeneous media: a brief review.

    Science.gov (United States)

    Dentz, Marco; Le Borgne, Tanguy; Englert, Andreas; Bijeljic, Branko

    2011-03-01

    Geological media exhibit heterogeneities in their hydraulic and chemical properties, which can lead to enhanced spreading and mixing of the transported species and induce an effective reaction behavior that is different from the one for a homogeneous medium. Chemical heterogeneities such as spatially varying adsorption properties and specific reactive surface areas can act directly on the chemical reaction dynamics and lead to different effective reaction laws. Physical heterogeneities affect mixing-limited chemical reactions in an indirect way by their impact on spreading and mixing of dissolved species. To understand and model large-scale reactive transport the interactions of these coupled processes need to be understood and quantified. This paper provides a brief review on approaches of non-reactive and reactive transport modeling in geological media.

  4. Sequence heterogeneity accelerates protein search for targets on DNA

    International Nuclear Information System (INIS)

    The process of protein search for specific binding sites on DNA is fundamentally important since it marks the beginning of all major biological processes. We present a theoretical investigation that probes the role of DNA sequence symmetry, heterogeneity, and chemical composition in the protein search dynamics. Using a discrete-state stochastic approach with a first-passage events analysis, which takes into account the most relevant physical-chemical processes, a full analytical description of the search dynamics is obtained. It is found that, contrary to existing views, the protein search is generally faster on DNA with more heterogeneous sequences. In addition, the search dynamics might be affected by the chemical composition near the target site. The physical origins of these phenomena are discussed. Our results suggest that biological processes might be effectively regulated by modifying chemical composition, symmetry, and heterogeneity of a genome

  5. Sequence heterogeneity accelerates protein search for targets on DNA

    Energy Technology Data Exchange (ETDEWEB)

    Shvets, Alexey A.; Kolomeisky, Anatoly B., E-mail: tolya@rice.edu [Department of Chemistry and Center for Theoretical Biological Physics, Rice University, Houston, Texas 77005 (United States)

    2015-12-28

    The process of protein search for specific binding sites on DNA is fundamentally important since it marks the beginning of all major biological processes. We present a theoretical investigation that probes the role of DNA sequence symmetry, heterogeneity, and chemical composition in the protein search dynamics. Using a discrete-state stochastic approach with a first-passage events analysis, which takes into account the most relevant physical-chemical processes, a full analytical description of the search dynamics is obtained. It is found that, contrary to existing views, the protein search is generally faster on DNA with more heterogeneous sequences. In addition, the search dynamics might be affected by the chemical composition near the target site. The physical origins of these phenomena are discussed. Our results suggest that biological processes might be effectively regulated by modifying chemical composition, symmetry, and heterogeneity of a genome.

  6. Modified Fats by Heterogeneous Catalysis: Changes on the Way to Green Chemistry

    Directory of Open Access Journals (Sweden)

    O.D. Gamallo,

    2015-09-01

    Full Text Available Green chemistry is the design, development and implementation of chemical products and processes to reduce or eliminate the use and generation of contaminants. Within this approach, heterogeneous catalysts have proven to be a promising alternative to replace homogeneous catalysts. This study aimed to investigate the feasibility of using heterogeneous catalysts in the production of modified fats by chemical interesterification reaction

  7. Molecular decoding using luminescence from an entangled porous framework

    OpenAIRE

    Takashima, Yohei; Martínez, Virginia Martínez; Furukawa, Shuhei; Kondo, Mio; Shimomura, Satoru; Uehara, Hiromitsu; Nakahama, Masashi; Sugimoto, Kunihisa; Kitagawa, Susumu

    2011-01-01

    Chemosensors detect a single target molecule from among several molecules, but cannot differentiate targets from one another. In this study, we report a molecular decoding strategy in which a single host domain accommodates a class of molecules and distinguishes between them with a corresponding readout. We synthesized the decoding host by embedding naphthalenediimide into the scaffold of an entangled porous framework that exhibited structural dynamics due to the dislocation of two chemically...

  8. Numerical Simulations of Heat Explosion With Convection In Porous Media

    OpenAIRE

    Allali, Karam; Bikany, Fouad; Taik, Ahmed; Volpert, Vitaly

    2013-01-01

    In this paper we study the interaction between natural convection and heat explosion in porous media. The model consists of the heat equation with a nonlinear source term describing heat production due to an exothermic chemical reaction coupled with the Darcy law. Stationary and oscillating convection regimes and oscillating heat explosion are observed. The models with quasi-stationary and unstationary Darcy equation are compared.

  9. RADICAL FLOW IN POROUS MEDIA WITH DISPERSION AND ADSORPTION

    Institute of Scientific and Technical Information of China (English)

    LIU Ci-qun; GUO Bai-qi; SONG Fu-quan; WANG Jin-ying

    2004-01-01

    The radical transport of chemical concentration in porous media with dispersion and adsorption was studied in this paper. Using Langmuir's adsorption model, the numerical equation of concentration transport was derived. The flows with and without adsorption were simulated and analyzed.Comparison of the obtained solution with the known analytical solution for flow without adsorption shows the presented numerical method is correct and effective, which can be used in reservoir engineering.

  10. Direct observations of flow path evolution during reactive transport in porous media using clinical nuclear imaging tomography

    Science.gov (United States)

    Druhan, J. L.; Finsterle, S.; Vandehey, N. T.; Boutchko, R.; O'Neil, J.; Moses, W. W.; Nico, P. S.

    2012-12-01

    Changes in the physical structure of a porous medium associated with heterogeneous reactivity are extremely difficult to observe directly. We require the ability to monitor, quantify and predict these changes in order to optimize contaminant sequestration and remediation strategies, develop carbon storage methods and preserve groundwater resources. Field-scale detection of chemically induced permeability alteration is often accomplished by multiple hydrogeophysical observations and pumping tests, whereas direct analysis of the structural changes in a porous medium are limited to small sample sizes that do not capture the range of length scales describing heterogeneity. Here we present a novel application of medical imaging techniques to directly observe variations in flow field structure associated with mineral precipitation in real time. We use a Single Photon Emission Computed Tomography (SPECT) scanner to observe the movement of a conservative 99mTc-DTPA tracer introduced to a through-flowing column of packed sediment recovered from the Old Rifle aquifer in Western Colorado. Nine individual imaging studies were carried out over the course of 112 days of continuous flow in the 30 cm long, 10 cm diameter column. During this time, organic carbon was supplied to the influent, leading to microbially mediated reduction of Fe(III) (hyrdo)oxides and sulfate. Permeability reduction associated with this reactivity is known to occur as a result of biomass accumulation and precipitation of FeS and carbonate minerals. The nine imaging datasets each yielded intensity values over a 24 hour period at a resolution of 4.42 mm3. These images were corrected for decay and attenuation to produce 4D datasets directly proportional to Tc-DTPA concentration. These data provide a highly accurate observation of the flow field during each imaging study, and are used to assign property values to the elements of a geostatistical model using the iTOUGH2 code. Permeability distributions

  11. Porous Silicon Structures as Optical Gas Sensors

    Directory of Open Access Journals (Sweden)

    Igor A. Levitsky

    2015-08-01

    Full Text Available We present a short review of recent progress in the field of optical gas sensors based on porous silicon (PSi and PSi composites, which are separate from PSi optochemical and biological sensors for a liquid medium. Different periodical and nonperiodical PSi photonic structures (bares, modified by functional groups or infiltrated with sensory polymers are described for gas sensing with an emphasis on the device specificity, sensitivity and stability to the environment. Special attention is paid to multiparametric sensing and sensor array platforms as effective trends for the improvement of analyte classification and quantification. Mechanisms of gas physical and chemical sorption inside PSi mesopores and pores of PSi functional composites are discussed.

  12. Obtaining of ceramics biphasic dense and porous

    International Nuclear Information System (INIS)

    Among the bioceramic hydroxyapatite (HAP) and beta-tricalcium phosphate (beta-TCP) are materials commonly used in biomedical field. Their combined properties result in a material with absorbable and at the same time with bioactive surface. Called biphasic ceramics such materials respond more quickly when exposed to physiological environment. In this work, powders of HAP/beta-TCP were obtained by chemical precipitation. After obtaining the post-phase was added at a ratio of 0, 15% and 30w% aqueous solutions of corn starch in order to obtain porous bodies. After mixing the resulting solutions were dried, resigned in tablet form and sintered at 1300 deg C. The initial powder was characterized by X-ray diffraction with Rietveld refinement to quantify the phases present. Bodies-of-evidence has been characterized by calculating the bulk density, X-ray diffraction (XRD), scanning electron microscopy and diametral compression. (author)

  13. Inorganic nanoparticles in porous coordination polymers.

    Science.gov (United States)

    Kim, Cho Rong; Uemura, Takashi; Kitagawa, Susumu

    2016-07-21

    Porous coordination polymers (PCPs) have been recently highlighted because of their high synthetic designability in structure and functions. Because of their ordered nanoporous structures with a large surface area and tunable pore surface functionality, PCPs have emerged as a significant class of nanoporous materials with potential applications in gas storage, separation, catalysis, and chemical sensing. Recent research has shown the utility of PCPs as host materials for the confinement of nanoparticles of inorganic polymers (IPs), such as metals, metal oxides, and metal chalcogenides. The fabrication of IP nanoparticles in PCPs (PCP⊃IP) has been studied for manifesting specific nanosized-dependent properties and host-guest synergistic functions. In this review, we describe the recent progress in the accommodation of IPs in the nanochannels of PCPs and the remarkable functions of the composite materials. PMID:27051891

  14. Development Trends in Porous Adsorbents for Carbon Capture.

    Science.gov (United States)

    Sreenivasulu, Bolisetty; Sreedhar, Inkollu; Suresh, Pathi; Raghavan, Kondapuram Vijaya

    2015-11-01

    Accumulation of greenhouse gases especially CO2 in the atmosphere leading to global warming with undesirable climate changes has been a serious global concern. Major power generation in the world is from coal based power plants. Carbon capture through pre- and post- combustion technologies with various technical options like adsorption, absorption, membrane separations, and chemical looping combustion with and without oxygen uncoupling have received considerable attention of researchers, environmentalists and the stake holders. Carbon capture from flue gases can be achieved with micro and meso porous adsorbents. This review covers carbonaceous (organic and metal organic frameworks) and noncarbonaceous (inorganic) porous adsorbents for CO2 adsorption at different process conditions and pore sizes. Focus is also given to noncarbonaceous micro and meso porous adsorbents in chemical looping combustion involving insitu CO2 capture at high temperature (>400 °C). Adsorption mechanisms, material characteristics, and synthesis methods are discussed. Attention is given to isosteric heats and characterization techniques. The options to enhance the techno-economic viability of carbon capture techniques by integrating with CO2 utilization to produce industrially important chemicals like ammonia and urea are analyzed. From the reader's perspective, for different classes of materials, each section has been summarized in the form of tables or figures to get a quick glance of the developments. PMID:26422294

  15. Development Trends in Porous Adsorbents for Carbon Capture.

    Science.gov (United States)

    Sreenivasulu, Bolisetty; Sreedhar, Inkollu; Suresh, Pathi; Raghavan, Kondapuram Vijaya

    2015-11-01

    Accumulation of greenhouse gases especially CO2 in the atmosphere leading to global warming with undesirable climate changes has been a serious global concern. Major power generation in the world is from coal based power plants. Carbon capture through pre- and post- combustion technologies with various technical options like adsorption, absorption, membrane separations, and chemical looping combustion with and without oxygen uncoupling have received considerable attention of researchers, environmentalists and the stake holders. Carbon capture from flue gases can be achieved with micro and meso porous adsorbents. This review covers carbonaceous (organic and metal organic frameworks) and noncarbonaceous (inorganic) porous adsorbents for CO2 adsorption at different process conditions and pore sizes. Focus is also given to noncarbonaceous micro and meso porous adsorbents in chemical looping combustion involving insitu CO2 capture at high temperature (>400 °C). Adsorption mechanisms, material characteristics, and synthesis methods are discussed. Attention is given to isosteric heats and characterization techniques. The options to enhance the techno-economic viability of carbon capture techniques by integrating with CO2 utilization to produce industrially important chemicals like ammonia and urea are analyzed. From the reader's perspective, for different classes of materials, each section has been summarized in the form of tables or figures to get a quick glance of the developments.

  16. Information and Heterogeneous Beliefs

    DEFF Research Database (Denmark)

    Christensen, Peter Ove; Qin, Zhenjiang

    2014-01-01

    and the maximum expected abnormal trading volume. Imperfect public information increases the gains-to-trade based on heterogeneously updated posterior beliefs. In an exchange economy, this leads to higher growth in the investors' certainty equivalents and, thus, a higher equilibrium interest rate, whereas the ex...... ante risk premium is unaffected by the informativeness of the public information system. Similar results are obtained in a production economy, but the impact on the ex ante cost of capital is dampened compared to the exchange economy due to welfare improving reductions in real investments to smooth......In an incomplete market with heterogeneous prior beliefs, we show public information can have a substantial impact on the ex ante cost of capital, trading volume, and investor welfare. The Pareto effcient public information system is the system enjoying the maximum ex ante cost of capital...

  17. Peptide immobilisation on porous silicon surface for metal ions detection

    Directory of Open Access Journals (Sweden)

    Chazalviel Jean-Noël

    2011-01-01

    Full Text Available Abstract In this work, a Glycyl-Histidyl-Glycyl-Histidine (GlyHisGlyHis peptide is covalently anchored to the porous silicon PSi surface using a multi-step reaction scheme compatible with the mild conditions required for preserving the probe activity. In a first step, alkene precursors are grafted onto the hydrogenated PSi surface using the hydrosilylation route, allowing for the formation of a carboxyl-terminated monolayer which is activated by reaction with N-hydroxysuccinimide in the presence of a peptide-coupling carbodiimide N-ethyl-N'-(3-dimethylaminopropyl-carbodiimide and subsequently reacted with the amino linker of the peptide to form a covalent amide bond. Infrared spectroscopy (FT-IR and X-ray photoelectron spectroscopy are used to investigate the different steps of functionalization. The property of peptides to form stable complexes with metal ions is exploited to achieve metal-ion recognition by the peptide-modified PSi-based biosensor. An electrochemical study of the GlyHisGlyHis-modified PSi electrode is achieved in the presence of copper ions. The recorded cyclic voltammograms show a quasi-irreversible process corresponding to the Cu(II/Cu(I couple. The kinetic factors (the heterogeneous rate constant and the transfer coefficient and the stability constant of the complex formed on the porous silicon surface are determined. These results demonstrate the potential role of peptides grafted on porous silicon in developing strategies for simple and fast detection of metal ions in solution.

  18. Peptide immobilisation on porous silicon surface for metal ions detection.

    Science.gov (United States)

    Sam, Sabrina S; Chazalviel, Jean-Noël Jn; Gouget-Laemmel, Anne Chantal Ac; Ozanam, François F; Etcheberry, Arnaud A; Gabouze, Nour-Eddine N

    2011-01-01

    In this work, a Glycyl-Histidyl-Glycyl-Histidine (GlyHisGlyHis) peptide is covalently anchored to the porous silicon PSi surface using a multi-step reaction scheme compatible with the mild conditions required for preserving the probe activity. In a first step, alkene precursors are grafted onto the hydrogenated PSi surface using the hydrosilylation route, allowing for the formation of a carboxyl-terminated monolayer which is activated by reaction with N-hydroxysuccinimide in the presence of a peptide-coupling carbodiimide N-ethyl-N'-(3-dimethylaminopropyl)-carbodiimide and subsequently reacted with the amino linker of the peptide to form a covalent amide bond. Infrared spectroscopy (FT-IR) and X-ray photoelectron spectroscopy are used to investigate the different steps of functionalization.The property of peptides to form stable complexes with metal ions is exploited to achieve metal-ion recognition by the peptide-modified PSi-based biosensor. An electrochemical study of the GlyHisGlyHis-modified PSi electrode is achieved in the presence of copper ions. The recorded cyclic voltammograms show a quasi-irreversible process corresponding to the Cu(II)/Cu(I) couple. The kinetic factors (the heterogeneous rate constant and the transfer coefficient) and the stability constant of the complex formed on the porous silicon surface are determined. These results demonstrate the potential role of peptides grafted on porous silicon in developing strategies for simple and fast detection of metal ions in solution.

  19. Entrepreneurship and heterogeneous capital

    OpenAIRE

    Foss, Nicolai J.; Klein, Peter G.

    2008-01-01

    Entrepreneurship is ultimately about the arrangement of resources into productive activi-ties. Much of the entrepreneurship literature, however, has focused on the demand side of the market. While resource heterogeneity is a feature of many theories of the firm, such theories are not built on a systematic theory of capital. We show how the approach to capital developed by the Austrian school of economics provides a natural bridge between theory of entrepreneurship and the theory of the firm. ...

  20. HETEROGENEOUS MULTIMEDIA SESSIONS

    OpenAIRE

    MANJUR S. KOLHAR; Anas F. Bayan; TAT-CHEE WAN; O. ABOUBDALLA; R. SURESWARAN

    2009-01-01

    This paper discusses technical issues related to delivery and control of IP multimedia services, such as multimedia conferencing, involving heterogeneous end terminals. In particular, it proposes the design of an experimental system for interworking between InterAsterisk exchange Protocol and RSW session and call control signaling protocols. This IP videoconferencing interworking system is composed of two core units for supporting delivery of sessions and streams. These units perform various ...