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Sample records for simulate porous structures

  1. Development of porous structure simulator for multi-scale simulation of irregular porous catalysts

    Koyama, Michihisa; Suzuki, Ai; Sahnoun, Riadh; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Miyamoto, Akira

    2008-01-01

    Efficient development of highly functional porous materials, used as catalysts in the automobile industry, demands a meticulous knowledge of the nano-scale interface at the electronic and atomistic scale. However, it is often difficult to correlate the microscopic interfacial interactions with macroscopic characteristics of the materials; for instance, the interaction between a precious metal and its support oxide with long-term sintering properties of the catalyst. Multi-scale computational chemistry approaches can contribute to bridge the gap between micro- and macroscopic characteristics of these materials; however this type of multi-scale simulations has been difficult to apply especially to porous materials. To overcome this problem, we have developed a novel mesoscopic approach based on a porous structure simulator. This simulator can construct automatically irregular porous structures on a computer, enabling simulations with complex meso-scale structures. Moreover, in this work we have developed a new method to simulate long-term sintering properties of metal particles on porous catalysts. Finally, we have applied the method to the simulation of sintering properties of Pt on alumina support. This newly developed method has enabled us to propose a multi-scale simulation approach for porous catalysts

  2. Development of a Computer Application to Simulate Porous Structures

    S.C. Reis

    2002-09-01

    Full Text Available Geometric modeling is an important tool to evaluate structural parameters as well as to follow the application of stereological relationships. The obtention, visualization and analysis of volumetric images of the structure of materials, using computational geometric modeling, facilitates the determination of structural parameters of difficult experimental access, such as topological and morphological parameters. In this work, we developed a geometrical model implemented by computer software that simulates random pore structures. The number of nodes, number of branches (connections between nodes and the number of isolated parts, are obtained. Also, the connectivity (C is obtained from this application. Using a list of elements, nodes and branches, generated by the software, in AutoCAD® command line format, the obtained structure can be viewed and analyzed.

  3. An agent-based method for simulating porous fluid-saturated structures with indistinguishable components

    Kashani, Jamal; Pettet, Graeme John; Gu, YuanTong; Zhang, Lihai; Oloyede, Adekunle

    2017-10-01

    Single-phase porous materials contain multiple components that intermingle up to the ultramicroscopic level. Although the structures of the porous materials have been simulated with agent-based methods, the results of the available methods continue to provide patterns of distinguishable solid and fluid agents which do not represent materials with indistinguishable phases. This paper introduces a new agent (hybrid agent) and category of rules (intra-agent rule) that can be used to create emergent structures that would more accurately represent single-phase structures and materials. The novel hybrid agent carries the characteristics of system's elements and it is capable of changing within itself, while also responding to its neighbours as they also change. As an example, the hybrid agent under one-dimensional cellular automata formalism in a two-dimensional domain is used to generate patterns that demonstrate the striking morphological and characteristic similarities with the porous saturated single-phase structures where each agent of the ;structure; carries semi-permeability property and consists of both fluid and solid in space and at all times. We conclude that the ability of the hybrid agent to change locally provides an enhanced protocol to simulate complex porous structures such as biological tissues which could facilitate models for agent-based techniques and numerical methods.

  4. Simulation of CO2 Injection in Porous Media with Structural Deformation Effect

    Negara, Ardiansyah

    2011-06-18

    Carbon dioxide (CO2) sequestration is one of the most attractive methods to reduce the amount of CO2 in the atmosphere by injecting it into the geological formations. Furthermore, it is also an effective mechanism for enhanced oil recovery. Simulation of CO2 injection based on a suitable modeling is very important for explaining the fluid flow behavior of CO2 in a reservoir. Increasing of CO2 injection may cause a structural deformation of the medium. The structural deformation modeling in carbon sequestration is useful to evaluate the medium stability to avoid CO2 leakage to the atmosphere. Therefore, it is important to include such effect into the model. The purpose of this study is to simulate the CO2 injection in a reservoir. The numerical simulations of two-phase flow in homogeneous and heterogeneous porous media are presented. Also, the effects of gravity and capillary pressure are considered. IMplicit Pressure Explicit Saturation (IMPES) and IMplicit Pressure-Displacements and an Explicit Saturation (IMPDES) schemes are used to solve the problems under consideration. Various numerical examples were simulated and divided into two parts of the study. The numerical results demonstrate the effects of buoyancy and capillary pressure as well as the permeability value and its distribution in the domain. Some conclusions that could be derived from the numerical results are the buoyancy of CO2 is driven by the density difference, the CO2 saturation profile (rate and distribution) are affected by the permeability distribution and its value, and the displacements of the porous medium go to constant values at least six to eight months (on average) after injection. Furthermore, the simulation of CO2 injection provides intuitive knowledge and a better understanding of the fluid flow behavior of CO2 in the subsurface with the deformation effect of the porous medium.

  5. Hierarchical Porous Structures

    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.

  6. Simulation Analysis and Performance Study of CoCrMo Porous Structure Manufactured by Selective Laser Melting

    Guoqing, Zhang; Junxin, Li; Jin, Li; Chengguang, Zhang; Zefeng, Xiao

    2018-04-01

    To fabricate porous implants with improved biocompatibility and mechanical properties that are matched to their application using selective laser melting (SLM), flow within the mold and compressive properties and performance of the porous structures must be comprehensively studied. Parametric modeling was used to build 3D models of octahedron and hexahedron structures. Finite element analysis was used to evaluate the mold flow and compressive properties of the parametric porous structures. A DiMetal-100 SLM molding apparatus was used to manufacture the porous structures and the results evaluated by light microscopy. The results showed that parametric modeling can produce robust models. Square structures caused higher blood cell adhesion than cylindrical structures. "Vortex" flow in square structures resulted in chaotic distribution of blood elements, whereas they were mostly distributed around the connecting parts in the cylindrical structures. No significant difference in elastic moduli or compressive strength was observed in square and cylindrical porous structures of identical characteristics. Hexahedron, square and cylindrical porous structures had the same stress-strain properties. For octahedron porous structures, cylindrical structures had higher stress-strain properties. Using these modeling and molding results, an important basis for designing and the direct manufacture of fixed biological implants is provided.

  7. Simulation Analysis and Performance Study of CoCrMo Porous Structure Manufactured by Selective Laser Melting

    Guoqing, Zhang; Junxin, Li; Jin, Li; Chengguang, Zhang; Zefeng, Xiao

    2018-05-01

    To fabricate porous implants with improved biocompatibility and mechanical properties that are matched to their application using selective laser melting (SLM), flow within the mold and compressive properties and performance of the porous structures must be comprehensively studied. Parametric modeling was used to build 3D models of octahedron and hexahedron structures. Finite element analysis was used to evaluate the mold flow and compressive properties of the parametric porous structures. A DiMetal-100 SLM molding apparatus was used to manufacture the porous structures and the results evaluated by light microscopy. The results showed that parametric modeling can produce robust models. Square structures caused higher blood cell adhesion than cylindrical structures. "Vortex" flow in square structures resulted in chaotic distribution of blood elements, whereas they were mostly distributed around the connecting parts in the cylindrical structures. No significant difference in elastic moduli or compressive strength was observed in square and cylindrical porous structures of identical characteristics. Hexahedron, square and cylindrical porous structures had the same stress-strain properties. For octahedron porous structures, cylindrical structures had higher stress-strain properties. Using these modeling and molding results, an important basis for designing and the direct manufacture of fixed biological implants is provided.

  8. Response to Extreme Temperatures of Mesoporous Silica MCM-41: Porous Structure Transformation Simulation and Modification of Gas Adsorption Properties.

    Zhang, Shenli; Perez-Page, Maria; Guan, Kelly; Yu, Erick; Tringe, Joseph; Castro, Ricardo H R; Faller, Roland; Stroeve, Pieter

    2016-11-08

    Molecular dynamics (MD) and Monte Carlo (MC) simulations were applied together for the first time to reveal the porous structure transformation mechanisms of mesoporous silica MCM-41 subjected to temperatures up to 2885 K. Silica was experimentally characterized to inform the models and enable prediction of changes in gas adsorption/separation properties. MD simulations suggest that the pore closure process is activated by a collective diffusion of matrix atoms into the porous region, accompanied by bond reformation at the surface. Degradation is kinetically limited, such that complete pore closure is postponed at high heating rates. We experimentally observe decreased gas adsorption with increasing temperature in mesoporous silica heated at fixed rates, due to pore closure and structural degradation consistent with simulation predictions. Applying the Kissinger equation, we find a strong correlation between the simulated pore collapse temperatures and the experimental values which implies an activation energy of 416 ± 17 kJ/mol for pore closure. MC simulations give the adsorption and selectivity for thermally treated MCM-41, for N 2 , Ar, Kr, and Xe at room temperature within the 1-10 000 kPa pressure range. Relative to pristine MCM-41, we observe that increased surface roughness due to decreasing pore size amplifies the difference of the absolute adsorption amount differently for different adsorbate molecules. In particular, we find that adsorption of strongly interacting molecules can be enhanced in the low-pressure region while adsorption of weakly interacting molecules is inhibited. This then results in higher selectivity in binary mixture adsorption in mesoporous silica.

  9. Manufactured Porous Ambient Surface Simulants

    Carey, Elizabeth M.; Peters, Gregory H.; Chu, Lauren; Zhou, Yu Meng; Cohen, Brooklin; Panossian, Lara; Green, Jacklyn R.; Moreland, Scott; Backes, Paul

    2016-01-01

    The planetary science decadal survey for 2013-2022 (Vision and Voyages, NRC 2011) has promoted mission concepts for sample acquisition from small solar system bodies. Numerous comet-sampling tools are in development to meet this standard. Manufactured Porous Ambient Surface Simulants (MPASS) materials provide an opportunity to simulate variable features at ambient temperatures and pressures to appropriately test potential sample acquisition systems for comets, asteroids, and planetary surfaces. The original "flavor" of MPASS materials is known as Manufactured Porous Ambient Comet Simulants (MPACS), which was developed in parallel with the development of the Biblade Comet Sampling System (Backes et al., in review). The current suite of MPACS materials was developed through research of the physical and mechanical properties of comets from past comet missions results and modeling efforts, coordination with the science community at the Jet Propulsion Laboratory and testing of a wide range of materials and formulations. These simulants were required to represent the physical and mechanical properties of cometary nuclei, based on the current understanding of the science community. Working with cryogenic simulants can be tedious and costly; thus MPACS is a suite of ambient simulants that yields a brittle failure mode similar to that of cryogenic icy materials. Here we describe our suite of comet simulants known as MPACS that will be used to test and validate the Biblade Comet Sampling System (Backes et al., in review).

  10. Simulation of Porous Medium Hydrogen Storage - Estimation of Storage Capacity and Deliverability for a North German anticlinal Structure

    Wang, B.; Bauer, S.; Pfeiffer, W. T.

    2015-12-01

    Large scale energy storage will be required to mitigate offsets between electric energy demand and the fluctuating electric energy production from renewable sources like wind farms, if renewables dominate energy supply. Porous formations in the subsurface could provide the large storage capacities required if chemical energy carriers such as hydrogen gas produced during phases of energy surplus are stored. This work assesses the behavior of a porous media hydrogen storage operation through numerical scenario simulation of a synthetic, heterogeneous sandstone formation formed by an anticlinal structure. The structural model is parameterized using data available for the North German Basin as well as data given for formations with similar characteristics. Based on the geological setting at the storage site a total of 15 facies distributions is generated and the hydrological parameters are assigned accordingly. Hydraulic parameters are spatially distributed according to the facies present and include permeability, porosity relative permeability and capillary pressure. The storage is designed to supply energy in times of deficiency on the order of seven days, which represents the typical time span of weather conditions with no wind. It is found that using five injection/extraction wells 21.3 mio sm³ of hydrogen gas can be stored and retrieved to supply 62,688 MWh of energy within 7 days. This requires a ratio of working to cushion gas of 0.59. The retrievable energy within this time represents the demand of about 450000 people. Furthermore it is found that for longer storage times, larger gas volumes have to be used, for higher delivery rates additionally the number of wells has to be increased. The formation investigated here thus seems to offer sufficient capacity and deliverability to be used for a large scale hydrogen gas storage operation.

  11. Numerical simulation of the fatigue behavior of additive manufactured titanium porous lattice structures

    Zargarian, A.; Esfahanian, M. [Department of Mechanical Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Kadkhodapour, J., E-mail: j.kad@srttu.edu [Department of Mechanical Engineering, Shahid Rajaee Teacher Training University, Tehran (Iran, Islamic Republic of); Institute for Materials Testing, Materials Science and Strength of Materials (IMWF), University of Stuttgart, Stuttgart (Germany); Ziaei-Rad, S. [Department of Mechanical Engineering, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)

    2016-03-01

    In this paper, the effects of cell geometry and relative density on the high-cycle fatigue behavior of Titanium scaffolds produced by selective laser melting and electron beam melting techniques were numerically investigated by finite element analysis. The regular titanium lattice samples with three different unit cell geometries, namely, diamond, rhombic dodecahedron and truncated cuboctahedron, and the relative density range of 0.1–0.3 were analyzed under uniaxial cyclic compressive loading. A failure event based algorithm was employed to simulate fatigue failure in the cellular material. Stress-life approach was used to model fatigue failure of both bulk (struts) and cellular material. The predicted fatigue life and the damage pattern of all three structures were found to be in good agreement with the experimental fatigue investigations published in the literature. The results also showed that the relationship between fatigue strength and cycles to failure obeyed the power law. The coefficient of power function was shown to depend on relative density, geometry and fatigue properties of the bulk material while the exponent was only dependent on the fatigue behavior of the bulk material. The results also indicated the failure surface at an angle of 45° to the loading direction. - Highlights: • Numerical simulation was used to predict fatigue behavior of titanium scaffolds. • Good agreement between numerical and experimental results • S–N curves obeyed the power law. • Fatigue strength of scaffolds was proportional to their Young's modulus. • Failure surface of scaffolds was inclined at an angle of 45° to loading.

  12. Numerical simulation of the fatigue behavior of additive manufactured titanium porous lattice structures.

    Zargarian, A; Esfahanian, M; Kadkhodapour, J; Ziaei-Rad, S

    2016-03-01

    In this paper, the effects of cell geometry and relative density on the high-cycle fatigue behavior of Titanium scaffolds produced by selective laser melting and electron beam melting techniques were numerically investigated by finite element analysis. The regular titanium lattice samples with three different unit cell geometries, namely, diamond, rhombic dodecahedron and truncated cuboctahedron, and the relative density range of 0.1-0.3 were analyzed under uniaxial cyclic compressive loading. A failure event based algorithm was employed to simulate fatigue failure in the cellular material. Stress-life approach was used to model fatigue failure of both bulk (struts) and cellular material. The predicted fatigue life and the damage pattern of all three structures were found to be in good agreement with the experimental fatigue investigations published in the literature. The results also showed that the relationship between fatigue strength and cycles to failure obeyed the power law. The coefficient of power function was shown to depend on relative density, geometry and fatigue properties of the bulk material while the exponent was only dependent on the fatigue behavior of the bulk material. The results also indicated the failure surface at an angle of 45° to the loading direction. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. Investigations on the porous resistance coefficients for fishing net structures

    Chen, Hao; Christensen, Erik Damgaard

    2016-01-01

    The porous media model has been successfully applied to numerical simulation of current and wave interaction with traditional permeable coastal structures such as breakwaters. Recently this model was employed to simulate flow through and around fishing net structures, where the unknown porous...

  14. Porous Materials - Structure and Properties

    Nielsen, Anders

    1997-01-01

    The paper presents some viewpoints on the description of the pore structure and the modelling of the properties of the porous building materials. Two examples are given , where it has been possible to connect the pore structure to the properties: Shrinkage of autoclaved aerated concrete...

  15. POROUS STRUCTURE OF ROAD CONCRETE

    M. K. Pshembaev

    2016-01-01

    Full Text Available Having a great number of concrete structure classifications it is recommended to specify the following three principal types: microstructure – cement stone structure; mesostructure – structure of cement-sand mortar in concrete; macrostucture – two-component system that consists of mortar and coarse aggregate. Every mentioned-above structure has its own specific features which are related to the conditions of their formation. Thus, microstructure of cement stone can be characterized by such structural components as crystal intergrowth, tobermorite gel, incompletely hydrated cement grains and porous space. The most important technological factors that influence on formation of cement stone microstructure are chemical and mineralogical cement composition, its grinding fineness, water-cement ratio and curing condition. Specific cement stone microstructure is formed due to interrelation of these factors. Cement stone is a capillary-porous body that consists of various solid phases represented predominantly by sub-microcrystals of colloidal dispersion. The sub-microcrystals are able adsorptively, osmotically and structurally to withhold (to bind some amount of moisture. Protection of road concrete as a capillary-porous body is considered as one of the topical issues. The problem is solved with the help of primary and secondary protection methods. Methods of primary protection are used at the stage of designing, preparation and placing of concrete. Methods of secondary protection are applied at the operational stage of road concrete pavement. The paper considers structures of concrete solid phase and characteristics of its porous space. Causes of pore initiation, their shapes, dimensions and arrangement in the concrete are presented in the paper. The highest hazard for road concrete lies in penetration of aggressive liquid in it and moisture transfer in the cured concrete. Water permeability of concrete characterizes its filtration factor which

  16. Simulating microtransport in realistic porous media

    Lopez Penha, D.J.

    2012-01-01

    Simulations in porous media widely adopt macroscopic models of transport phenomena. These models are computationally efficient as not all geometrical details at the pore scale are accounted for. Generally, these models require closure relations for effective transport parameters, where the

  17. Structural and elastic properties of porous silicon

    Matthai, C C [Department of Physics and Astronomy, University of Wales College of Cardiff, Cardiff CF2 3YB (United Kingdom); Gavartin, J L [Department of Physics and Astronomy, University of Wales College of Cardiff, Cardiff CF2 3YB (United Kingdom); Cafolla, A A [Department of Physics, Dublin City University, Dublin (Ireland)

    1995-01-15

    We have implemented a modified diffusion-limited aggregation model to simulate the porous silicon structure obtained by electrochemical dissolution. The resulting fractal structures were fully equilibrated using the molecular dynamics method. An analysis of the relaxed structure shows it to be quite stable with the presence of one-, two- and three-coordinated atoms as well as the four-coordinated atoms found in bulk silicon. It is suggested that the different substructures or nanocrystals might be responsible for the observed photoluminescence. ((orig.))

  18. Simulation of impaction filtration of aerosol droplets in porous media

    Ghazaryan, L.; Lopez Penha, D.J.; Geurts, Bernardus J.; Stolz, S.; Stolz, Steffen; Winkelmann, Christoph; Pereira, J.C.F; Sequeira, A.; Pereira, J.M.C.

    2010-01-01

    We report on the development of a method to simulate from first principles the particle filtration efficiency of filters that are composed of structured porous media. We assume that the ratio of particle density to the fluid density is high. We concentrate on the motion of the particles in a laminar

  19. A porous medium approach for the fluid structure interaction modelling of a water pressurized nuclear reactor core fuel assemblies: simulation and experimentation

    Ricciardi, G.

    2008-10-01

    The designing of a pressurized water reactor core subjected to seismic loading, is a major concern of the nuclear industry. We propose, in this PhD report, to establish the global behaviour equations of the core, in term of a porous medium. Local equations of fluid and structure are space averaged on a control volume, thus we define an equivalent fluid and an equivalent structure, of which unknowns are defined on the whole space. The non-linear fuel assemblies behaviour is modelled by a visco-elastic constitutive law. The fluid-structure coupling is accounted for by a body force, the expression of that force is based on empirical formula of fluid forces acting on a tube subject to an axial flow. The resulting equations are solved using a finite element method. A validation of the model, on three experimental device, is proposed. The first one presents two fuel assemblies subjected to axial flow. One of the two fuel assemblies is deviated from its position of equilibrium and released, while the other is at rest. The second one presents a six assemblies row, immersed in water, placed on a shaking table that can simulate seismic loading. Finally, the last one presents nine fuel assemblies network, arranged in a three by three, subject to an axial flow. The displacement of the central fuel assembly is imposed. The simulations are in agreement with the experiments, the model reproduces the influence of the flow of fluid on the dynamics and coupling of the fuel assemblies. (author)

  20. Simulating Porous Magnetite Layer Deposited on Alloy 690TT Steam Generator Tubes.

    Jeon, Soon-Hyeok; Son, Yeong-Ho; Choi, Won-Ik; Song, Geun Dong; Hur, Do Haeng

    2018-01-02

    In nuclear power plants, the main corrosion product that is deposited on the outside of steam generator tubes is porous magnetite. The objective of this study was to simulate porous magnetite that is deposited on thermally treated (TT) Alloy 690 steam generator tubes. A magnetite layer was electrodeposited on an Alloy 690TT substrate in an Fe(III)-triethanolamine solution. After electrodeposition, the dense magnetite layer was immersed to simulate porous magnetite deposits in alkaline solution for 50 days at room temperature. The dense morphology of the magnetite layer was changed to a porous structure by reductive dissolution reaction. The simulated porous magnetite layer was compared with flakes of steam generator tubes, which were collected from the secondary water system of a real nuclear power plant during sludge lancing. Possible nuclear research applications using simulated porous magnetite specimens are also proposed.

  1. A new modelling approach to simulate preferential flow and transport in water repellent porous media: Model structure and validation

    Ritsema, C.J.; Dam, van J.C.; Dekker, L.W.; Oostindie, K.

    2005-01-01

    Water repellent soil and surface layers exhibit a complex flow and transport mechanism. Knowledge of the underlying principles is essential, for instance, to simulate water availability for crops and to estimate leaching potentials of agrichemicals. The present study aims to introduce and apply a

  2. Porous media fluid transport and pore structure

    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

  3. Additive Manufacturing of Hierarchical Porous Structures

    Grote, Christopher John [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division. Polymers and Coatings

    2016-08-30

    Additive manufacturing has become a tool of choice for the development of customizable components. Developments in this technology have led to a powerful array of printers that t serve a variety of needs. However, resin development plays a crucial role in leading the technology forward. This paper addresses the development and application of printing hierarchical porous structures. Beginning with the development of a porous scaffold, which can be functionalized with a variety of materials, and concluding with customized resins for metal, ceramic, and carbon structures.

  4. Electromechanical Response of Conductive Porous Structure

    Hye-Mi So

    2015-01-01

    Full Text Available Porous conductors with large surface-volume ratios have been applied to a variety of fields, including absorbents, flexible heaters, and electrodes for supercapacitors. In this study, we implemented sensitive pressure sensors using the mechanical and electrical characteristics of conductive porous structures manufactured by immersing sponges into a carbon nanotube solution and then measured the change in resistance. When pressure was applied to conductive sponges, carbon nanotubes were attached to each other and the resistance was reduced by up to 20%. The carbon nanotube sponges, which were soft and had superior elasticity, were quickly stabilized without any changes taking place in their shape, and they showed consistent change in resistance during experiments of repetitive pressure. The pressure devices based on conductive porous sponges were connected to single-walled carbon nanotube field effect transistors (SWCNT-FETs and changes in their characteristics were investigated according to external pressure.

  5. Simulation of impaction filtration of aerosol droplets in porous media

    Ghazaryan, L.; Lopez Penha, D.J.; Geurts, Bernardus J.; Stolz, S.; Stolz, Steffen; Winkelmann, Christoph; Pereira, J.C.F; Sequeira, A.; Pereira, J.M.C.

    2010-01-01

    We report on the development of a method to simulate from first principles the particle filtration efficiency of filters that are composed of structured porous media. We assume that the ratio of particle density to the fluid density is high. We concentrate on the motion of the particles in a laminar flow and quantify the role of inertial effects on the filtration of an ensemble of particles. We adopt the Euler-Lagrange approach, distinguishing a flow field in which the motion of a large numbe...

  6. Porous Structure of Road Concrete

    Пшембаев, М. К.; Гиринский, В. В.; Ковалев, Я. Н.; Яглов, В. Н.; Будниченко, С. С.

    2016-01-01

    Having a great number of concrete structure classifications it is recommended to specify the following three principal types: microstructure – cement stone structure; mesostructure – structure of cement-sand mortar in concrete; macrostucture – two-component system that consists of mortar and coarse aggregate. Every mentioned-above structure has its own specific features which are related to the conditions of their formation. Thus, microstructure of cement stone can be characterized by such st...

  7. Deformation behavior of nano-porous polycrystalline silver. Part II: Simulations

    Zabihzadeh, S.; Cugnoni, J.; Duarte, L.I.; Van Petegem, S.; Van Swygenhoven, H.

    2017-01-01

    Three-dimensional finite element simulations of nano-porous silver structures are performed to understand the correlation between the porous morphology and the mechanical behavior. The nanostructures have been obtained from ptychographic X-ray computed tomography. The simulations allow distinguishing between the interplay and role of the ligament size, the pore morphology and the porosity, and therefore provide a better comprehension of the experimental observations. We show that the proposed model has a predictive character for mechanical behavior of nano-porous silver.

  8. Lattice Boltzmann simulations for wall-flow dynamics in porous ceramic diesel particulate filters

    Lee, Da Young; Lee, Gi Wook; Yoon, Kyu; Chun, Byoungjin; Jung, Hyun Wook

    2018-01-01

    Flows through porous filter walls of wall-flow diesel particulate filter are investigated using the lattice Boltzmann method (LBM). The microscopic model of the realistic filter wall is represented by randomly overlapped arrays of solid spheres. The LB simulation results are first validated by comparison to those from previous hydrodynamic theories and constitutive models for flows in porous media with simple regular and random solid-wall configurations. We demonstrate that the newly designed randomly overlapped array structures of porous walls allow reliable and accurate simulations for the porous wall-flow dynamics in a wide range of solid volume fractions from 0.01 to about 0.8, which is beyond the maximum random packing limit of 0.625. The permeable performance of porous media is scrutinized by changing the solid volume fraction and particle Reynolds number using Darcy's law and Forchheimer's extension in the laminar flow region.

  9. Lattice Boltzmann simulation of flow and heat transfer in random porous media constructed by simulated annealing algorithm

    Liu, Minghua; Shi, Yong; Yan, Jiashu; Yan, Yuying

    2017-01-01

    Highlights: • A numerical capability combining the lattice Boltzmann method with simulated annealing algorithm is developed. • Digitized representations of random porous media are constructed using limited but meaningful statistical descriptors. • Pore-scale flow and heat transfer information in random porous media is obtained by the lattice Boltzmann simulation. • The effective properties at the representative elementary volume scale are well specified using appropriate upscale averaging. - Abstract: In this article, the lattice Boltzmann (LB) method for transport phenomena is combined with the simulated annealing (SA) algorithm for digitized porous-medium construction to study flow and heat transfer in random porous media. Importantly, in contrast to previous studies which simplify porous media as arrays of regularly shaped objects or effective pore networks, the LB + SA method in this article can model statistically meaningful random porous structures in irregular morphology, and simulate pore-scale transport processes inside them. Pore-scale isothermal flow and heat conduction in a set of constructed random porous media characterized by statistical descriptors were then simulated through use of the LB + SA method. The corresponding averages over the computational volumes and the related effective transport properties were also computed based on these pore scale numerical results. Good agreement between the numerical results and theoretical predictions or experimental data on the representative elementary volume scale was found. The numerical simulations in this article demonstrate combination of the LB method with the SA algorithm is a viable and powerful numerical strategy for simulating transport phenomena in random porous media in complex geometries.

  10. Porous silicon nanoparticles for target drag delivery: structure and morphology

    Spivak, Yu M; Belorus, A O; Somov, P A; Bespalova, K A; Moshnikov, V A; Tulenin, S S

    2015-01-01

    Nanoparticles of porous silicon were obtained by electrochemical anodic etching. Morphology and structure of the particles was investigated by means dynamic light scattering and scanning electron microscopy. The influence of technological conditions of preparation on geometrical parameters of the porous silicon particles (particle size distribution, pore shape and size, the specific surface area of the porous silicon) is discussed. (paper)

  11. Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials.

    Kim, Jihan; Smit, Berend

    2012-07-10

    Monte Carlo (MC) simulations are commonly used to obtain adsorption properties of gas molecules inside porous materials. In this work, we discuss various optimization strategies that lead to faster MC simulations with CO2 gas molecules inside host zeolite structures used as a test system. The reciprocal space contribution of the gas-gas Ewald summation and both the direct and the reciprocal gas-host potential energy interactions are stored inside energy grids to reduce the wall time in the MC simulations. Additional speedup can be obtained by selectively calling the routine that computes the gas-gas Ewald summation, which does not impact the accuracy of the zeolite's adsorption characteristics. We utilize two-level density-biased sampling technique in the grand canonical Monte Carlo (GCMC) algorithm to restrict CO2 insertion moves into low-energy regions within the zeolite materials to accelerate convergence. Finally, we make use of the graphics processing units (GPUs) hardware to conduct multiple MC simulations in parallel via judiciously mapping the GPU threads to available workload. As a result, we can obtain a CO2 adsorption isotherm curve with 14 pressure values (up to 10 atm) for a zeolite structure within a minute of total compute wall time.

  12. Multiscale global identification of porous structures

    Hatłas, Marcin; Beluch, Witold

    2018-01-01

    The paper is devoted to the evolutionary identification of the material constants of porous structures based on measurements conducted on a macro scale. Numerical homogenization with the RVE concept is used to determine the equivalent properties of a macroscopically homogeneous material. Finite element method software is applied to solve the boundary-value problem in both scales. Global optimization methods in form of evolutionary algorithm are employed to solve the identification task. Modal analysis is performed to collect the data necessary for the identification. A numerical example presenting the effectiveness of proposed attitude is attached.

  13. Porous Silicon Structures as Optical Gas Sensors.

    Levitsky, Igor A

    2015-08-14

    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.

  14. Band structures in fractal grading porous phononic crystals

    Wang, Kai; Liu, Ying; Liang, Tianshu; Wang, Bin

    2018-05-01

    In this paper, a new grading porous structure is introduced based on a Sierpinski triangle routine, and wave propagation in this fractal grading porous phononic crystal is investigated. The influences of fractal hierarchy and porosity on the band structures in fractal graidng porous phononic crystals are clarified. Vibration modes of unit cell at absolute band gap edges are given to manifest formation mechanism of absolute band gaps. The results show that absolute band gaps are easy to form in fractal structures comparatively to the normal ones with the same porosity. Structures with higher fractal hierarchies benefit multiple wider absolute band gaps. This work provides useful guidance in design of fractal porous phononic crystals.

  15. Nonlinear interaction and wave breaking with a submerged porous structure

    Hsieh, Chih-Min; Sau, Amalendu; Hwang, Robert R.; Yang, W. C.

    2016-12-01

    Numerical simulations are performed to investigate interactive velocity, streamline, turbulent kinetic energy, and vorticity perturbations in the near-field of a submerged offshore porous triangular structure, as Stokes waves of different heights pass through. The wave-structure interaction and free-surface breaking for the investigated flow situations are established based on solutions of 2D Reynolds Averaged Navier-Stokes equations in a Cartesian grid in combination with K-ɛ turbulent closure and the volume of fluid methodology. The accuracy and stability of the adopted model are ascertained by extensive comparisons of computed data with the existing experimental and theoretical findings and through efficient predictions of the internal physical kinetics. Simulations unfold "clockwise" and "anticlockwise" rotation of fluid below the trough and the crest of the viscous waves, and the penetrated wave energy creates systematic flow perturbation in the porous body. The interfacial growths of the turbulent kinetic energy and the vorticity appear phenomenal, around the apex of the immersed structure, and enhanced significantly following wave breaking. Different values of porosity parameter and two non-porous cases have been examined in combination with varied incident wave height to reveal/analyze the nonlinear flow behavior in regard to local spectral amplification and phase-plane signatures. The evolution of leading harmonics of the undulating free-surface and the vertical velocity exhibits dominating roles of the first and the second modes in inducing the nonlinearity in the post-breaking near-field that penetrates well below the surface layer. The study further suggests the existence of a critical porosity that can substantially enhance the wave-shoaling and interface breaking.

  16. Diffusion in porous structures containing three fluid phases

    Galani, A.N.; Kainourgiakis, M.E.; Stubos, A.K.; Kikkinides, E.S.

    2005-01-01

    In the present study, the tracer diffusion in porous media filled by three fluid phases (a non-wetting, an intermediate wetting and a wetting phase) is investigated. The disordered porous structure of porous systems like random sphere packing and the North Sea chalk, is represented by three-dimensional binary images. The random sphere pack is generated by a standard ballistic deposition procedure, while the chalk matrix by a stochastic reconstruction technique. Physically sound spatial distributions of the three phases filling the pore space are determined by the use of a simulated annealing algorithm, where those phases are initially randomly distributed in the pore space and trial-and-error swaps are performed in order to attain the global minimum of the total interfacial energy. The acceptance rule for a trial move during the annealing is modified properly improving the efficiency of the technique. The diffusivities of the resulting domains are computed by a random walk method. A parametric study with respect to the pore volume fraction occupied by each fluid phase and the ratio of the diffusivities in the fluid phases is performed. (authors)

  17. Porous Silicon Structures as Optical Gas Sensors

    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.

  18. Wave Interaction with Porous Coastal Structures

    Jensen, Bjarne

    with the simulation of a rock toe structure on a rubble mound breakwater. The stones in the toe structure were resolved directly in the model while the rest of the breakwater was included with the porosity model. In Chapter 6 both experimental and numerical topics are included. The physical experiments includes...

  19. Current-voltage characteristics of porous-silicon structures

    Diligenti, A.; Nannini, A.; Pennelli, G.; Pieri, F.; Fuso, F.; Allegrini, M.

    1996-01-01

    I-V DC characteristics have been measured on metal/porous-silicon structures. In particular, the measurements on metal/free-standing porous-silicon film/metal devices confirmed the result, already obtained, that the metal/porous-silicon interface plays a crucial role in the transport of any device. Four-contacts measurements on free-standing layers showed that the current linearly depends on the voltage and that the conduction process is thermally activated, the activation energy depending on the porous silicon film production parameters. Finally, annealing experiments performed in order to improve the conduction of rectifying contacts, are described

  20. Efficiently mapping structure-property relationships of gas adsorption in porous materials: application to Xe adsorption.

    Kaija, A R; Wilmer, C E

    2017-09-08

    Designing better porous materials for gas storage or separations applications frequently leverages known structure-property relationships. Reliable structure-property relationships, however, only reveal themselves when adsorption data on many porous materials are aggregated and compared. Gathering enough data experimentally is prohibitively time consuming, and even approaches based on large-scale computer simulations face challenges. Brute force computational screening approaches that do not efficiently sample the space of porous materials may be ineffective when the number of possible materials is too large. Here we describe a general and efficient computational method for mapping structure-property spaces of porous materials that can be useful for adsorption related applications. We describe an algorithm that generates random porous "pseudomaterials", for which we calculate structural characteristics (e.g., surface area, pore size and void fraction) and also gas adsorption properties via molecular simulations. Here we chose to focus on void fraction and Xe adsorption at 1 bar, 5 bar, and 10 bar. The algorithm then identifies pseudomaterials with rare combinations of void fraction and Xe adsorption and mutates them to generate new pseudomaterials, thereby selectively adding data only to those parts of the structure-property map that are the least explored. Use of this method can help guide the design of new porous materials for gas storage and separations applications in the future.

  1. Simulation of uncompressible fluid flow through a porous media

    Ramirez, A. [Instituto Politecnico Nacional (SEPI-ESIQIE-IPN), Unidad Profesional Zacatenco, Laboratorio de Analisis Met. (Edif. ' Z' y Edif. ' 6' P.B.), Mexico City (Mexico)], E-mail: adaramil@yahoo.com.mx; Gonzalez, J.L. [Instituto Politecnico Nacional (SEPI-ESIQIE-IPN), Unidad Profesional Zacatenco, Laboratorio de Analisis Met. (Edif. ' Z' y Edif. ' 6' P.B.), Mexico City (Mexico); Carrillo, F. [Instituto Politecnico Nacional (SEPI-CICATA-IPN), Unidad Altamira Tamaulipas, Mexico (Mexico); Lopez, S. [Instituto Mexicano del Petroleo (I.M.P.-D.F.), Mexico (Mexico)

    2009-02-28

    Recently, a great interest has been focused for investigations about transport phenomena in disordered systems. One of the most treated topics is fluid flow through anisotropic materials due to the importance in many industrial processes like fluid flow in filters, membranes, walls, oil reservoirs, etc. In this work is described the formulation of a 2D mathematical model to simulate the fluid flow behavior through a porous media (PM) based on the solution of the continuity equation as a function of the Darcy's law for a percolation system; which was reproduced using computational techniques reproduced using a random distribution of the porous media properties (porosity, permeability and saturation). The model displays the filling of a partially saturated porous media with a new injected fluid showing the non-defined advance front and dispersion of fluids phenomena.

  2. Simulation of uncompressible fluid flow through a porous media

    Ramirez, A.; Gonzalez, J.L.; Carrillo, F.; Lopez, S.

    2009-01-01

    Recently, a great interest has been focused for investigations about transport phenomena in disordered systems. One of the most treated topics is fluid flow through anisotropic materials due to the importance in many industrial processes like fluid flow in filters, membranes, walls, oil reservoirs, etc. In this work is described the formulation of a 2D mathematical model to simulate the fluid flow behavior through a porous media (PM) based on the solution of the continuity equation as a function of the Darcy's law for a percolation system; which was reproduced using computational techniques reproduced using a random distribution of the porous media properties (porosity, permeability and saturation). The model displays the filling of a partially saturated porous media with a new injected fluid showing the non-defined advance front and dispersion of fluids phenomena.

  3. Lattice gas automata simulations of flow through porous media

    Matsukuma, Yosuke; Abe, Yutaka; Adachi, Hiromichi; Takahashi, Ryoichi

    1998-01-01

    In the course of a severe accident, a debris bed may be formed from once- molten and fragmented fuel elements. In order to avoid further degradation of the reactor core, it is necessary to remove the heat from the debris bed since the debris bed still release the decay heat. So as to predict the coolability of the debris bed, it is important to precisely estimate flow patterns through complex geometry of debris bed in microscopic level. Lattice gas automata could be powerful tool to simulate such a complex geometry. As a first step of the study, fundamental numerical simulation were conducted in two dimensional systems by using the lattice gas automata method to clarify single phase flow patterns through porous media in mesoscopic level. Immiscible lattice gas model is one of the lattice gas automata method and utilized for spinodal decomposition simulation of binary fluids. This model was applied to generate the complex flow geometry simulating porous media. It was approved that the complex flow geometries were successfully generated by the present method. Flow concentration was observed in specified flow channels for lower Reynolds number. Two dimensional flow concentration was caused by the irregular flow geometry generated by the present method, since the flow selects the channels of lower friction. Two dimensional pressure distribution was observed relating to the concentrations of flow in specified channels. The simulating results of the flow through the porous media by the present method qualitatively agree with the Ergun's equation. Quantitatively, the present results approach to Ergun's equation in higher Reynolds number than 10, although concentration of the flow in a specified flow channels were observed in lower Reynolds number than 10. It can be concluded that this technique is useful is useful to simulate flow through complex geometry like porous media. (author)

  4. Fabrication of polystyrene porous films with gradient pore structures

    Yan Hongwei; Zhang Lin; Li Bo; Yin Qiang

    2010-01-01

    Silica opals and multilayer heterostructures were fabricated by vertical deposition technique. Polystyrene inverse opals and gradient porous structures were obtained by colloidal templating, in order to control the pore microstructure of polymer porous materials. As shown in the scanning electron microscopy images, the polystyrene porous structures are precise replicas of inverse structures of the original templates. After being infiltrated with the polystyrene, the photonic stop-band position of the opal composite is redshifted compared with the original template, and it is blueshifted after the opal template being removed. The filling ratio of polystyrene was calculated according to the Bragg formula. (authors)

  5. A cellular automaton simulation of contaminant transport in porous media

    Freed, D.M.; Simonson, S.A.

    1995-01-01

    A simulation tool to investigate radionuclide transport in porous groundwater flow is described. The flow systems of interest are those important in determining the fate of radionuclides emplaced in an underground repository, such as saturated matrix flow, matrix and fracture flow in the unsaturated zone, and viscous fingering in porous fractures. The work discussed here is confined to consideration of saturated flow in porous media carrying a dilute, sorptive species. The simulation technique is based on a special class of cellular automata known as lattice gas automata (LGA) which are capable of predicting hydrodynamic behavior. The original two-dimensional scheme (that of Frisch et. al. known as the FHP model) used particles of unit mass traveling on a triangular lattice with unit velocity and undergoing simple collisions which conserve mass and momentum at each node. These microscopic rules go over to the incompressible Navier-Stokes equations in the macroscopic limit. One of the strengths of this technique is the natural way that heterogeneities, such as boundaries, are accommodated. Complex geometries such as those associated with porous microstructures can be modeled effectively. Several constructions based on the FHP model have been devised, including techniques to eliminate statistical noise, extension to three dimensions, and the addition of surface tension which leads to multiphase flow

  6. Confocal imaging of protein distributions in porous silicon optical structures

    De Stefano, Luca; D'Auria, Sabato

    2007-01-01

    The performances of porous silicon optical biosensors depend strongly on the arrangement of the biological probes into their sponge-like structures: it is well known that in this case the sensing species do not fill the pores but instead cover their internal surface. In this paper, the direct imaging of labelled proteins into different porous silicon structures by using a confocal laser microscope is reported. The distribution of the biological matter in the nanostructured material follows a Gaussian behaviour which is typical of the diffusion process in the porous media but with substantial differences between a porous silicon monolayer and a multilayer such as a Bragg mirror. Even if semi-quantitative, the results can be very useful in the design of the porous silicon based biosensing devices

  7. A statistical model for porous structure of rocks

    JU Yang; YANG YongMing; SONG ZhenDuo; XU WenJing

    2008-01-01

    The geometric features and the distribution properties of pores in rocks were In-vestigated by means of CT scanning tests of sandstones. The centroidal coordl-nares of pores, the statistic characterristics of pore distance, quantity, size and their probability density functions were formulated in this paper. The Monte Carlo method and the random number generating algorithm were employed to generate two series of random numbers with the desired statistic characteristics and prob-ability density functions upon which the random distribution of pore position, dis-tance and quantity were determined. A three-dimensional porous structural model of sandstone was constructed based on the FLAC3D program and the information of the pore position and distribution that the series of random numbers defined. On the basis of modelling, the Brazil split tests of rock discs were carried out to ex-amine the stress distribution, the pattern of element failure and the inoaculation of failed elements. The simulation indicated that the proposed model was consistent with the realistic porous structure of rock in terms of their statistic properties of pores and geometric similarity. The built-up model disclosed the influence of pores on the stress distribution, failure mode of material elements and the inosculation of failed elements.

  8. A statistical model for porous structure of rocks

    2008-01-01

    The geometric features and the distribution properties of pores in rocks were in- vestigated by means of CT scanning tests of sandstones. The centroidal coordi- nates of pores, the statistic characterristics of pore distance, quantity, size and their probability density functions were formulated in this paper. The Monte Carlo method and the random number generating algorithm were employed to generate two series of random numbers with the desired statistic characteristics and prob- ability density functions upon which the random distribution of pore position, dis- tance and quantity were determined. A three-dimensional porous structural model of sandstone was constructed based on the FLAC3D program and the information of the pore position and distribution that the series of random numbers defined. On the basis of modelling, the Brazil split tests of rock discs were carried out to ex- amine the stress distribution, the pattern of element failure and the inosculation of failed elements. The simulation indicated that the proposed model was consistent with the realistic porous structure of rock in terms of their statistic properties of pores and geometric similarity. The built-up model disclosed the influence of pores on the stress distribution, failure mode of material elements and the inosculation of failed elements.

  9. Lattice Boltzmann simulation of endothermal catalytic reaction in catalyst porous media

    Li Xunfeng; Cai Jun; Xin Fang; Huai Xiulan; Guo Jiangfeng

    2013-01-01

    Gas catalytic reaction in a fixed bed reactor is a general process in chemical industry. The chemical reaction process involves the complex multi-component flow, heat and mass transfer coupling chemical reaction in the catalyst porous structure. The lattice Boltzmann method is developed to simulate the complex process of the surface catalytic reaction in the catalyst porous media. The non-equilibrium extrapolation method is used to treat the boundaries. The porous media is structured by Sierpinski carpet fractal structure. The velocity correction is adopted on the reaction surface. The flow, temperature and concentration fields calculated by the lattice Boltzmann method are compared with those computed by the CFD software. The effects of the inlet velocity, porosity and inlet components ratio on the conversion are also studied. Highlights: ► LBM is developed to simulate the surface catalytic reaction. ► The Sierpinski carpet structure is used to construct the porous media. ► The LBM results are in agreement with the CFD predictions. ► Velocity, temperature and concentration fields are obtained. ► Effects of the velocity, porosity and concentration on conversion are analyzed.

  10. Structure and Dynamics of Ionic Liquid [MMIM][Br] Confined in Hydrophobic and Hydrophilic Porous Matrices: A Molecular Dynamics Simulation Study.

    Sharma, Anirban; Ghorai, Pradip Kr

    2016-11-17

    The effects of confinement on the structural and dynamical properties of the ionic liquid (IL) 1,3-dimethylimidazolium bromide ([MMIM][Br]) have been investigated by molecular dynamics simulations. We used zeolite faujasite (NaY) as a hydrophilic confinement and dealuminated faujasite (DAY) as a hydrophobic confinement. The presence of an extra framework cation, [Na + ], in NaY makes the host hydrophilic, whereas DAY, with no extra framework cation, is hydrophobic. Although both NaY and DAY have almost similar structures, the IL showed markedly different structural and dynamical properties in these confinements and in bulk. In the confinements, the cation-cation radial distribution function, which strongly depends on temperature, exhibits a layer-like structure, whereas in bulk, it shows a liquid-like structure that hardly depends on temperature. Although the interaction between [MMIM] + and Br - in DAY is stronger than that in both NaY and bulk, the strength of the interaction between them is almost invariant with temperature. Both [MMIM] + and Br - strongly interact with Na + of the host, and their interaction strongly depends on temperature, whereas the interaction of the IL with Si and O is very weak and invariant with temperature. In bulk, the self-diffusion coefficient, [D], of both [MMIM] + and Br - increases exponentially with temperature, and the D of the cation is slightly higher than that of the anion at all studied temperatures, whereas in the confinements, [MMIM] + moves much faster than Br - . For example, in the hydrophilic confinement, the D of the cation is 20-30 times higher than that of the anion. The D of both the ions decreases significantly in the confinements as compared to that in bulk. During diffusion, [MMIM] + diffuses closer to the inner surface in the hydrophilic confinement than that in the hydrophobic confinement. The diffusion pathway imperceptibly depends on temperature but strongly depends on the nature of the confinement. The self

  11. Surface structure and adsorption properties of ultrafine porous carbon fibers

    Song Xiaofeng; Wang Ce; Zhang Dejiang

    2009-01-01

    Ultrafine porous carbon fibers (UPCFs) were successfully synthesized by chemical activation of electrospun polyacrylonitrile fibers. In the current approach, potassium hydroxide was adopted as activation reagent. UPCFs were systematically evaluated by scanning electron microscope and nitrogen adsorption. The mass ratio of potassium hydroxide to preoxidized fibers, activation temperature and activation time are crucial for producing high quality UPCFs. The relationships between porous structure and process parameters are explored. UPCFs were applied as adsorbent for nitrogen monoxide to be compared with commercial porous carbon fibers.

  12. Direct simulation of natural convection in square porous enclosure

    Pourshaghaghy, A.; Hakkaki-Fard, A.; Mahdavi-Nejad, A.

    2007-01-01

    In this article, natural convection in a square porous enclosure is simulated by a direct numerical method. The solution method is based on a random distribution of solid blocks, which resembles the porous media within the cavity. The Navier-Stokes equations are solved directly in the fluid region without the assumption of volume averaging. The no-slip condition is applied on the surface of any solid particle, and the energy transport equation is solved separately for the solid phase and fluid flow. The local and average Nusselt numbers are presented for steady state for two different cases of thermal boundary conditions of the cavity walls. An oscillatory solution is observed for the local Nu number on the surface of the enclosure, and the critical Ra numbers are found in which natural convection flow is started within the cavity

  13. Multilayer porous structures of HVPE and MOCVD grown GaN for photonic applications

    Braniste, T.; Ciers, Joachim; Monaico, Ed.; Martin, D.; Carlin, J.-F.; Ursaki, V. V.; Sergentu, V. V.; Tiginyanu, I. M.; Grandjean, N.

    2017-02-01

    In this paper we report on a comparative study of electrochemical processes for the preparation of multilayer porous structures in hydride vapor phase epitaxy (HVPE) and metal organic chemical vapor phase deposition (MOCVD) grown GaN. It was found that in HVPE-grown GaN, multilayer porous structures are obtained due to self-organization processes leading to a fine modulation of doping during the crystal growth. However, these processes are not totally under control. Multilayer porous structures with a controlled design have been produced by optimizing the technological process of electrochemical etching in MOCVD-grown samples, consisting of five pairs of thin layers with alternating-doping profiles. The samples have been characterized by SEM imaging, photoluminescence spectroscopy, and micro-reflectivity measurements, accompanied by transfer matrix analysis and simulations by a method developed for the calculation of optical reflection spectra. We demonstrate the applicability of the produced structures for the design of Bragg reflectors.

  14. Freeze-Casting of Porous Biomaterials: Structure, Properties and Opportunities

    Sylvain Deville

    2010-03-01

    Full Text Available The freeze-casting of porous materials has received a great deal of attention during the past few years. This simple process, where a material suspension is simply frozen and then sublimated, provides materials with unique porous architectures, where the porosity is almost a direct replica of the frozen solvent crystals. This review focuses on the recent results on the process and the derived porous structures with regards to the biomaterials applications. Of particular interest is the architecture of the materials and the versatility of the process, which can be readily controlled and applied to biomaterials applications. A careful control of the starting formulation and processing conditions is required to control the integrity of the structure and resulting properties. Further in vitro and in vivo investigations are required to validate the potential of this new class of porous materials.

  15. Topology optimization of 3D shell structures with porous infill

    Clausen, Anders; Andreassen, Erik; Sigmund, Ole

    2017-01-01

    This paper presents a 3D topology optimization approach for designing shell structures with a porous or void interior. It is shown that the resulting structures are significantly more robust towards load perturbations than completely solid structures optimized under the same conditions. The study...... indicates that the potential benefit of using porous structures is higher for lower total volume fractions. Compared to earlier work dealing with 2D topology optimization, we found several new effects in 3D problems. Most notably, the opportunity for designing closed shells significantly improves...

  16. A porous medium approach for the fluid structure interaction modelling of a water pressurized nuclear reactor core fuel assemblies: simulation and experimentation; Une approche milieu poreux pour la modeisation de l'interaction fluide-structure des assemblages combustibles dans un coeur de reacteur a eau pressurisee: simulation et experimentation

    Ricciardi, G.

    2008-10-15

    The designing of a pressurized water reactor core subjected to seismic loading, is a major concern of the nuclear industry. We propose, in this PhD report, to establish the global behaviour equations of the core, in term of a porous medium. Local equations of fluid and structure are space averaged on a control volume, thus we define an equivalent fluid and an equivalent structure, of which unknowns are defined on the whole space. The non-linear fuel assemblies behaviour is modelled by a visco-elastic constitutive law. The fluid-structure coupling is accounted for by a body force, the expression of that force is based on empirical formula of fluid forces acting on a tube subject to an axial flow. The resulting equations are solved using a finite element method. A validation of the model, on three experimental device, is proposed. The first one presents two fuel assemblies subjected to axial flow. One of the two fuel assemblies is deviated from its position of equilibrium and released, while the other is at rest. The second one presents a six assemblies row, immersed in water, placed on a shaking table that can simulate seismic loading. Finally, the last one presents nine fuel assemblies network, arranged in a three by three, subject to an axial flow. The displacement of the central fuel assembly is imposed. The simulations are in agreement with the experiments, the model reproduces the influence of the flow of fluid on the dynamics and coupling of the fuel assemblies. (author)

  17. Structure of zirconium dioxide based porous glasses

    Gubanova, N. N.; Kopitsa, G. P.; Ezdakova, K. V.; Baranchikov, A. Y.; Angelov, Borislav; Feoktystov, A.; Pipich, V.; Ryukhtin, Vasyl; Ivanov, V. K.

    2014-01-01

    Roč. 8, č. 5 (2014), s. 967-975 ISSN 1027-4510 R&D Projects: GA ČR GAP208/10/1600; GA MŠk(XE) LM2011019; GA ČR GB14-36566G Institutional support: RVO:61389013 ; RVO:61389005 Keywords : zirconium dioxide * porous glasse * nanoparticles Subject RIV: CF - Physical ; Theoretical Chemistry; BG - Nuclear, Atomic and Molecular Physics, Colliders (UJF-V) Impact factor: 0.359, year: 2012

  18. Performance characteristics of porous alumina ceramic structures

    Latella, B.A.; Liu, T.

    2000-01-01

    Porous ceramics have found a wide range of applications as filters for liquids and gases. The suitability of materials for use in these types of applications depends on the microstructure (grain size, pore size and pore volume fraction) and hence the mechanical and thermal properties. In this study alumina ceramics with different levels of porosity and controlled pore sizes were fabricated and the surface damage and fracture properties were examined. Copyright (2000) The Australian Ceramic Society

  19. Porous Structure Characterization in Titanium Coating for Surgical Implants

    M.V. Oliveira

    2002-09-01

    Full Text Available Powder metallurgy techniques have been used to produce controlled porous structures, such as the porous coatings applied for dental and orthopedic surgical implants, which allow bony tissue ingrowth within the implant surface improving fixation. This work presents the processing and characterization of titanium porous coatings of different porosity levels, processed through powder metallurgy techniques. Pure titanium sponge powders were used for coating and Ti-6Al7Nb powder metallurgy rods were used as substrates. Characterization was made through quantitative metallographic image analysis using optical light microscope for coating porosity data and SEM analysis for evaluation of the coating/substrate interface integrity. The results allowed optimization of the processing parameters in order to obtain porous coatings that meet the requirements for use as implants.

  20. On the numerical simulation of tracer flows in porous media

    Aquino, J.; Pereira, F.; Amaral Souto, H.P.; Francisco, A.S.

    2007-01-01

    We discuss in detail a new Lagrangian, locally conservative procedure which has been proposed for the numerical solution of linear transport problems in porous media. The new scheme is computationally efficient, virtually free of numerical diffusion, and can be applied to investigate numerically the time evolution of radionuclide contaminant plumes. Results of two-dimensional simulations of tracer flows will be presented to show the influence on the computed solutions of distinct interpolation functions for evaluating the velocity field at any position of the physical domain, as required by the Lagrangian scheme. (author)

  1. Reduced-Order Direct Numerical Simulation of Solute Transport in Porous Media

    Mehmani, Yashar; Tchelepi, Hamdi

    2017-11-01

    Pore-scale models are an important tool for analyzing fluid dynamics in porous materials (e.g., rocks, soils, fuel cells). Current direct numerical simulation (DNS) techniques, while very accurate, are computationally prohibitive for sample sizes that are statistically representative of the porous structure. Reduced-order approaches such as pore-network models (PNM) aim to approximate the pore-space geometry and physics to remedy this problem. Predictions from current techniques, however, have not always been successful. This work focuses on single-phase transport of a passive solute under advection-dominated regimes and delineates the minimum set of approximations that consistently produce accurate PNM predictions. Novel network extraction (discretization) and particle simulation techniques are developed and compared to high-fidelity DNS simulations for a wide range of micromodel heterogeneities and a single sphere pack. Moreover, common modeling assumptions in the literature are analyzed and shown that they can lead to first-order errors under advection-dominated regimes. This work has implications for optimizing material design and operations in manufactured (electrodes) and natural (rocks) porous media pertaining to energy systems. This work was supported by the Stanford University Petroleum Research Institute for Reservoir Simulation (SUPRI-B).

  2. Sintering of Multilayered Porous Structures: Part I-Constitutive Models

    Olevsky, Eugene; Tadesse Molla, Tesfaye; Frandsen, Henrik Lund

    2013-01-01

    Theoretical analyses of shrinkage and distortion kinetics during sintering of bilayered porous structures are carried out. The developed modeling framework is based on the continuum theory of sintering; it enables the direct assessment of the cofiring process outcomes and of the impact of process...

  3. Simulation of a porous ceramic membrane reactor for hydrogen production

    Yu, W.; Ohmori, T.; Yamamoto, T.; Endo, A.; Nakaiwa, M.; Hayakawa, T. [National Inst. of Advanced Industrial Science and Technology, Tsukuba (Japan); Itoh, N. [National Inst. of Advanced Industrial Science and Technology, Tsukuba (Japan); Utsunomiya Univ. (Japan). Dept. of Applied Chemistry

    2005-08-01

    A systematic simulation study was performed to investigate the performance of a porous ceramic membrane reactor for hydrogen production by means of methane steam reforming. The results show that the methane conversions much higher than the corresponding equilibrium values can be achieved in the membrane reactor due to the selective removal of products from the reaction zone. The comparison of isothermal and non-isothermal model predictions was made. It was found that the isothermal assumption overestimates the reactor performance and the deviation of calculation results between the two models is subject to the operating conditions. The effects of various process parameters such as the reaction temperature, the reaction side pressure, the feed flow rate and the steam to methane molar feed ratio as well as the sweep gas flow rate and the operation modes, on the behavior of membrane reactor were analyzed and discussed. (author)

  4. Band structures in Sierpinski triangle fractal porous phononic crystals

    Wang, Kai; Liu, Ying; Liang, Tianshu

    2016-01-01

    In this paper, the band structures in Sierpinski triangle fractal porous phononic crystals (FPPCs) are studied with the aim to clarify the effect of fractal hierarchy on the band structures. Firstly, one kind of FPPCs based on Sierpinski triangle routine is proposed. Then the influence of the porosity on the elastic wave dispersion in Sierpinski triangle FPPCs is investigated. The sensitivity of the band structures to the fractal hierarchy is discussed in detail. The results show that the increase of the hierarchy increases the sensitivity of ABG (Absolute band gap) central frequency to the porosity. But further increase of the fractal hierarchy weakens this sensitivity. On the same hierarchy, wider ABGs could be opened in Sierpinski equilateral triangle FPPC; whilst, a lower ABG could be opened at lower porosity in Sierpinski right-angled isosceles FPPCs. These results will provide a meaningful guidance in tuning band structures in porous phononic crystals by fractal design.

  5. Band structures in Sierpinski triangle fractal porous phononic crystals

    Wang, Kai; Liu, Ying, E-mail: yliu5@bjtu.edu.cn; Liang, Tianshu

    2016-10-01

    In this paper, the band structures in Sierpinski triangle fractal porous phononic crystals (FPPCs) are studied with the aim to clarify the effect of fractal hierarchy on the band structures. Firstly, one kind of FPPCs based on Sierpinski triangle routine is proposed. Then the influence of the porosity on the elastic wave dispersion in Sierpinski triangle FPPCs is investigated. The sensitivity of the band structures to the fractal hierarchy is discussed in detail. The results show that the increase of the hierarchy increases the sensitivity of ABG (Absolute band gap) central frequency to the porosity. But further increase of the fractal hierarchy weakens this sensitivity. On the same hierarchy, wider ABGs could be opened in Sierpinski equilateral triangle FPPC; whilst, a lower ABG could be opened at lower porosity in Sierpinski right-angled isosceles FPPCs. These results will provide a meaningful guidance in tuning band structures in porous phononic crystals by fractal design.

  6. Preparation of porous carbon particle with shell/core structure

    2007-05-01

    Full Text Available Porous carbon particles with a shell/core structure have been prepared successfully by controlled precipitation of the polymer from droplets of oil-in-water emulsion, followed by curing and carbonization. The droplets of the oil phase are composed of phenolic resin (PFR, a good solvent (ethyl acetate and porogen (Poly(methyl methacrylate, PMMA. The microstructure was characterized in detail by scanning electron microscopy (SEM, transmission electron microscopy (TEM, nitrogen adsorption, and thermo gravimetric analysis (TGA. The obtained carbon particles have a capsular structure with a microporous carbon shell and a mesoporous carbon core. The BET surface area and porous volume are calculated to be 499 m2g-1 and 0.56 cm3g-1, respectively. The effects of the amount of porogen (PMMA, co-solvent (acetone and surfactant on the resultant structure were studied in detail.

  7. Porous structure analysis of radioactive spent resin cementation matrix

    Zhou Yaozhong; Yun Guichun

    2004-01-01

    According to a cement product microstructure, a radioactive spent resin cementation matrix has the properties of porous matters. The distributing of the pore size and the pore microstructure stability are closely related to many crucial macro properties, including strength and permeability of the matrixes. By using a new computer-controlled Hg pressure test, a experiment methods of the matrix micro-properties was studied. By using porous structure analyses, it was found that the experimental method is useful for the future cementation research. In this test, it was also found that ASC cement matrixes of spent resin have superior microstructure to the OPC's. They have better pore size distribution, more stable structure and higher ability to hold the Hg in the matrixes than OPC's, and these properties are the important factors that make ASC cement matrixes have more stable macro-structure and lower leaching of nuclides. (authors)

  8. Structural mechanics simulations

    Biffle, J.H.

    1992-01-01

    Sandia National Laboratory has a very broad structural capability. Work has been performed in support of reentry vehicles, nuclear reactor safety, weapons systems and components, nuclear waste transport, strategic petroleum reserve, nuclear waste storage, wind and solar energy, drilling technology, and submarine programs. The analysis environment contains both commercial and internally developed software. Included are mesh generation capabilities, structural simulation codes, and visual codes for examining simulation results. To effectively simulate a wide variety of physical phenomena, a large number of constitutive models have been developed

  9. Numerical simulation of porous burners and hole plate surface burners

    Nemoda Stevan

    2004-01-01

    Full Text Available In comparison to the free flame burners the porous medium burners, especially those with flame stabilization within the porous material, are characterized by a reduction of the combustion zone temperatures and high combustion efficiency, so that emissions of pollutants are minimized. In the paper the finite-volume numerical tool for calculations of the non-isothermal laminar steady-state flow, with chemical reactions in laminar gas flow as well as within porous media is presented. For the porous regions the momentum and energy equations have appropriate corrections. In the momentum equations for the porous region an additional pressure drop has to be considered, which depends on the properties of the porous medium. For the heat transfer within the porous matrix description a heterogeneous model is considered. It treats the solid and gas phase separately, but the phases are coupled via a convective heat exchange term. For the modeling of the reaction of the methane laminar combustion the chemical reaction scheme with 164 reactions and 20 chemical species was used. The proposed numerical tool is applied for the analyses of the combustion and heat transfer processes which take place in porous and surface burners. The numerical experiments are accomplished for different powers of the porous and surface burners, as well as for different heat conductivity character is tics of the porous regions.

  10. Zeolitic materials with hierarchical porous structures.

    Lopez-Orozco, Sofia; Inayat, Amer; Schwab, Andreas; Selvam, Thangaraj; Schwieger, Wilhelm

    2011-06-17

    During the past several years, different kinds of hierarchical structured zeolitic materials have been synthesized due to their highly attractive properties, such as superior mass/heat transfer characteristics, lower restriction of the diffusion of reactants in the mesopores, and low pressure drop. Our contribution provides general information regarding types and preparation methods of hierarchical zeolitic materials and their relative advantages and disadvantages. Thereafter, recent advances in the preparation and characterization of hierarchical zeolitic structures within the crystallites by post-synthetic treatment methods, such as dealumination or desilication; and structured devices by in situ and ex situ zeolite coatings on open-cellular ceramic foams as (non-reactive as well as reactive) supports are highlighted. Specific advantages of using hierarchical zeolitic catalysts/structures in selected catalytic reactions, such as benzene to phenol (BTOP) and methanol to olefins (MTO) are presented. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Accounting for porous structure in effective thermal conductivity calculations in a pebble bed reactor

    Antwerpen, W. van; Rousseau, P.G.; Toit, C.G. du

    2009-01-01

    A proper understanding of the mechanisms of heat transfer, flow and pressure drop through a packed bed of spheres is of utmost importance in the design of a high temperature pebble bed reactor. A thorough knowledge of the porous structure within the packed bed is important to any rigorous analysis of the transport phenomena, as all the heat and flow mechanisms are influenced by the porous structure. In this paper a new approach is proposed to simulate the effective thermal conductivity employing a combination of new and existing correlations for randomly packed beds. More attention is given to packing structure based on coordination number and contact angles, resulting in a more rigorous differentiation between the bulk and near-wall regions. The model accounts for solid conduction, gas conduction, contact area, surface roughness as well as radiation. (author)

  12. Quantifying the topology of porous structures

    Kinney, J. [Lawrence Livermore National Lab., CA (United States)

    1994-11-15

    Computerized x-ray tomography, with microscopic resolution, has been used to volumetrically visualize the evolution of porosity in a ceramic matrix composite during processing. The topological variables describing the porosity have been measured. The evolution of the porosity exhibits critical scaling behavior near final consolidation, and appears to be independent of the structure (universality).

  13. Lattice Boltzmann simulation of the gas-solid adsorption process in reconstructed random porous media

    Zhou, L.; Qu, Z. G.; Ding, T.; Miao, J. Y.

    2016-04-01

    The gas-solid adsorption process in reconstructed random porous media is numerically studied with the lattice Boltzmann (LB) method at the pore scale with consideration of interparticle, interfacial, and intraparticle mass transfer performances. Adsorbent structures are reconstructed in two dimensions by employing the quartet structure generation set approach. To implement boundary conditions accurately, all the porous interfacial nodes are recognized and classified into 14 types using a proposed universal program called the boundary recognition and classification program. The multiple-relaxation-time LB model and single-relaxation-time LB model are adopted to simulate flow and mass transport, respectively. The interparticle, interfacial, and intraparticle mass transfer capacities are evaluated with the permeability factor and interparticle transfer coefficient, Langmuir adsorption kinetics, and the solid diffusion model, respectively. Adsorption processes are performed in two groups of adsorbent media with different porosities and particle sizes. External and internal mass transfer resistances govern the adsorption system. A large porosity leads to an early time for adsorption equilibrium because of the controlling factor of external resistance. External and internal resistances are dominant at small and large particle sizes, respectively. Particle size, under which the total resistance is minimum, ranges from 3 to 7 μm with the preset parameters. Pore-scale simulation clearly explains the effect of both external and internal mass transfer resistances. The present paper provides both theoretical and practical guidance for the design and optimization of adsorption systems.

  14. The structure of steady shock waves in porous metals

    Czarnota, Christophe; Molinari, Alain; Mercier, Sébastien

    2017-10-01

    The paper aims at developing an understanding of steady shock wave propagation in a ductile metallic material containing voids. Porosity is assumed to be less than 0.3 and voids are not connected (foams are not considered). As the shock wave is traveling in the porous medium, the voids are facing a rapid collapse. During this dynamic compaction process, material particles are subjected to very high acceleration in the vicinity of voids, thus generating acceleration forces at the microscale that influence the overall response of the porous material. Analyzing how stationary shocks are influenced by these micro-inertia effects is the main goal of this work. The focus is essentially on the shock structure, ignoring oscillatory motion of pores prevailing at the tail of the shock wave. Following the constitutive framework developed by Molinari and Ravichandran (2004) for the analysis of steady shock waves in dense metals, an analytical approach of steady state propagation of plastic shocks in porous metals is proposed. The initial void size appears as a characteristic internal length that scales the overall dynamic response, thereby contributing to the structuring of the shock front. This key feature is not captured by standard damage models where the porosity stands for the single damage parameter with no contribution of the void size. The results obtained in this work provide a new insight in the fundamental understanding of shock waves in porous media. In particular, a new scaling law relating the shock width to the initial void radius is obtained when micro-inertia effects are significant.

  15. Structural analysis of porous rock reservoirs subjected to conditions of compressed air energy storage

    Friley, J.R.

    1980-01-01

    Investigations are described which were performed to assess the structural behavior of porous rock compressed air energy storage (CAES) reservoirs subjected to loading conditions of temperature and pressure felt to be typical of such an operation. Analyses performed addressed not only the nominal or mean reservoir response but also the cyclic response due to charge/discharge operation. The analyses were carried out by assuming various geometrical and material related parameters of a generic site. The objective of this study was to determine the gross response of a generic porous reservoir. The site geometry for this study assumed a cylindrical model 122 m in dia and 57 m high including thicknesses for the cap, porous, and base rock formations. The central portion of the porous zone was assumed to be at a depth of 518 m and at an initial temperature of 20/sup 0/C. Cyclic loading conditions of compressed air consisted of pressure values in the range of 4.5 to 5.2 MPa and temperature values between 143 and 204/sup 0/C.Various modes of structural behavior were studied. These response modes were analyzed using loading conditions of temperature and pressure (in the porous zone) corresponding to various operational states during the first year of simulated site operation. The results of the structural analyses performed indicate that the most severely stressed region will likely be in the wellbore vicinity and hence highly dependent on the length of and placement technique utilized in the well production length. Analyses to address this specific areas are currently being pursued.

  16. Porous carbonaceous electrode structure and method for secondary electrochemical cell

    Kaun, Thomas D.

    1977-03-08

    Positive and negative electrodes are provided as rigid, porous carbonaceous matrices with particulate active material fixedly embedded. Active material such as metal chalcogenides, solid alloys of alkali metal or alkaline earth metals along with other metals and their oxides in particulate form are blended with a thermosetting resin and a solid volatile to form a paste mixture. Various electrically conductive powders or current collector structures can be blended or embedded into the paste mixture which can be molded to the desired electrode shape. The molded paste is heated to a temperature at which the volatile transforms into vapor to impart porosity as the resin begins to cure into a rigid solid structure.

  17. Simulation of phase structures

    Lawson, J.

    1995-01-01

    This memo outlines a procedure developed by the author to extract information from phase measurements and produce a simulated phase structure for use in modeling optical systems, including characteristic optics for the Beamlet and NIF laser systems. The report includes an IDL program listing

  18. Simulation of DNAPL migration in heterogeneous translucent porous media based on estimation of representative elementary volume

    Wu, Ming; Wu, Jianfeng; Wu, Jichun

    2017-10-01

    When the dense nonaqueous phase liquid (DNAPL) comes into the subsurface environment, its migration behavior is crucially affected by the permeability and entry pressure of subsurface porous media. A prerequisite for accurately simulating DNAPL migration in aquifers is then the determination of the permeability, entry pressure and corresponding representative elementary volumes (REV) of porous media. However, the permeability, entry pressure and corresponding representative elementary volumes (REV) are hard to determine clearly. This study utilizes the light transmission micro-tomography (LTM) method to determine the permeability and entry pressure of two dimensional (2D) translucent porous media and integrates the LTM with a criterion of relative gradient error to quantify the corresponding REV of porous media. As a result, the DNAPL migration in porous media might be accurately simulated by discretizing the model at the REV dimension. To validate the quantification methods, an experiment of perchloroethylene (PCE) migration is conducted in a two-dimensional heterogeneous bench-scale aquifer cell. Based on the quantifications of permeability, entry pressure and REV scales of 2D porous media determined by the LTM and relative gradient error, different models with different sizes of discretization grid are used to simulate the PCE migration. It is shown that the model based on REV size agrees well with the experimental results over the entire migration period including calibration, verification and validation processes. This helps to better understand the microstructures of porous media and achieve accurately simulating DNAPL migration in aquifers based on the REV estimation.

  19. Simulation of Tracer Transport in Porous Media: Application to Bentonites

    Bru, A.; Casero, D.

    2001-01-01

    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)

  20. Hydraulical and acoustical properties of porous sintered glass bead systems: experiments, theory, & simulations

    Güven, Ibrahim

    2016-01-01

    Wave and transport phenomena through porous media are of great importance in science and industrial applications, because they involve the interaction of various physical mechanisms and can provide useful informations of the structure of the porous medium. Despite the extensive application in modern

  1. Molecular simulation of adsorption and transport in hierarchical porous materials.

    Coasne, Benoit; Galarneau, Anne; Gerardin, Corine; Fajula, François; Villemot, François

    2013-06-25

    Adsorption and transport in hierarchical porous solids with micro- (~1 nm) and mesoporosities (>2 nm) are investigated by molecular simulation. Two models of hierarchical solids are considered: microporous materials in which mesopores are carved out (model A) and mesoporous materials in which microporous nanoparticles are inserted (model B). Adsorption isotherms for model A can be described as a linear combination of the adsorption isotherms for pure mesoporous and microporous solids. In contrast, adsorption in model B departs from adsorption in pure microporous and mesoporous solids; the inserted microporous particles act as defects, which help nucleate the liquid phase within the mesopore and shift capillary condensation toward lower pressures. As far as transport under a pressure gradient is concerned, the flux in hierarchical materials consisting of microporous solids in which mesopores are carved out obeys the Navier-Stokes equation so that Darcy's law is verified within the mesopore. Moreover, the flow in such materials is larger than in a single mesopore, due to the transfer between micropores and mesopores. This nonzero velocity at the mesopore surface implies that transport in such hierarchical materials involves slippage at the mesopore surface, although the adsorbate has a strong affinity for the surface. In contrast to model A, flux in model B is smaller than in a single mesopore, as the nanoparticles act as constrictions that hinder transport. By a subtle effect arising from fast transport in the mesopores, the presence of mesopores increases the number of molecules in the microporosity in hierarchical materials and, hence, decreases the flow in the micropores (due to mass conservation). As a result, we do not observe faster diffusion in the micropores of hierarchical materials upon flow but slower diffusion, which increases the contact time between the adsorbate and the surface of the microporosity.

  2. Numerical simulation of the transport phenomena due to sudden heating in porous media

    Lei, S.Y.; Zheng, G.Y.; Wang, B.X.; Yang, R.G.; Xia, C.M.

    1997-07-01

    Such process as wet porous media suddenly heated by hot fluids frequently occurs in nature and in industrial applications. The three-variable simulation model was developed to predict violent transport phenomena due to sudden heating in porous media. Two sets of independent variables were applied to different regions in porous media in the simulation. For the wet zone, temperature, wet saturation and air pressure were used as the independent variables. For the dry zone, the independent variables were temperature, vapor pressure and air pressure. The model simulated two complicated transport processes in wet unsaturated porous media which is suddenly heated by melting metal or boiling water. The effect of the gas pressure is also investigated on the overall transport phenomena.

  3. Infill Optimization for Additive Manufacturing - Approaching Bone-like Porous Structures

    Wu, Jun; Aage, Niels; Westermann, Ruediger

    2018-01-01

    Porous structures such as trabecular bone are widely seen in nature. These structures exhibit superior mechanical properties whilst being lightweight. In this paper, we present a method to generate bone-like porous structures asl ightweight infill for additive manufacturing. Our method builds upon...

  4. Microstructure and corrosion study of porous Mg-Zn-Ca alloy in simulated body fluid

    Annur, Dhyah; Erryani, Aprilia; Lestari, Franciska P.; Nyoman Putrayasa, I.; Gede, P. A.; Kartika, Ika

    2017-03-01

    Magnesium alloys had been considered as promising biomedical devices due to their biocompatibility and biodegradability. In this present work, microstructure and corrosion properties of Mg-Zn-Ca-CaCO3 porous magnesium alloy were examined. Porous metals were fabricated through powder metallurgy process with CaCO3 addition as a foaming agent. CaCO3 content was varied (1, 5, and 10%wt) followed by sintering process in 650 °C in Argon atmosphere for 10 and 15 h. The microstructure of the resulted alloys was analyzed by scanning electron microscopy (SEM) equipped with energy dispersive spectrometry data (EDS). Further, to examine corrosion properties, electrochemical test were conducted using G750 Gamry Instrument in accordance with ASTM standard G5-94 in simulated body fluid (Hank’s solution). As it was predicted, increasing content of foaming agent was in line with the increasing of pore formation. The electrochemical testing indicated corrosion rate would increase along with the increasing of foaming agent. The porous Mg-Zn-Ca alloy which has more porosity and connecting area will corrode much faster because it can transport the solution containing chloride ion which accelerated the chemical reaction. Highest corrosion resistance was given by Mg-Zn-Ca-1CaCO3-10 h sintering with potential corrosion of  -1.59 VSCE and corrosion rate of 1.01 mmpy. From the microstructure after electrochemical testing, it was revealed that volcano shaped structure and crack would occur after exposure to Hank’s solution

  5. Lattice Boltzmann simulation for temperature-sensitive magnetic fluids in a porous square cavity

    Jin Licong; Zhang Xinrong; Niu Xiaodong

    2012-01-01

    A lattice Boltzmann method is developed to simulate temperature-sensitive magnetic fluids in a porous cavity. In the simulation, the magnetic force, efficient gravity, viscous loss term and geometric loss term in porous medium are imported to the momentum equation. To test the reliability of the method, a validation with water in porous cavity is carried out. Good agreements with the previous results verify that the present lattice Boltzmann method is promising for simulation of magnetic fluids in porous medium. In this study, we investigate the change of magnetization with external magnetic field, and we present numerical results for the streamlines, isotherms, and magnetization at vertical or horizontal mid-profiles for different values of Ram. In addition, Nusselt numbers changing with magnetic Rayleigh numbers are also investigated. - Highlights: → Developed a lattice Boltzmann method for magnetic nano-fluids in porous cavity. → Clarified flow and heat transfer for different values of (magnetic) Rayleigh numbers. → Heat transfer enhancement for magnetic fluid in porous cavity.

  6. Porous matrix structures for alkaline electrolyte fuel cells

    Vine, R. W.; Narsavage, S. T.

    1975-01-01

    A number of advancements have been realized by a continuing research program to develop higher chemically stable porous matrix structures with high bubble pressure (crossover resistance) for use as separators in potassium hydroxide electrolyte fuel cells. More uniform, higher-bubble-pressure asbestos matrices were produced by reconstituting Johns-Manville asbestos paper; Fybex potassium titanate which was found compatible with 42% KOH at 250 F for up to 3000 hr; good agreement was found between bubble pressures predicted by an analytical study and those measured with filtered structures; Teflon-bonded Fybex matrices with bubble pressures greater than 30 psi were obtained by filtering a water slurry of the mixture directly onto fuel cell electrodes; and PBI fibers have satisfactory compatibility with 42% KOH at 250 F.

  7. Luminescence and structural study of porous silicon films

    Xie, Y. H.; Wilson, W. L.; Ross, F. M.; Mucha, J. A.; Fitzgerald, E. A.; Macaulay, J. M.; Harris, T. D.

    1992-03-01

    A combination of photoluminescence, TEM, and Fourier transform IR spectroscopy is used to investigate the luminescence properties of 3-micron thick, strongly emitting, and highly porous silicon films. TEMs indicate that these samples have structures of predominantly 6-7-nm size clusters. In the as-prepared films, there is a significant concentration of Si-H bonds which is gradually replaced by Si-O bonds during prolonged aging in air. Upon optical excitation these films exhibit strong visible emission, peaking at about 690 nm. The excitation edge is shown to be emission-wavelength dependent, revealing the inhomogeneous nature of both the initially photoexcited and luminescing species. The correlation of the spectral and structural information suggest that the source of the large blue shift of the visible emission compared to the bulk Si bandgap energy is due to quantum confinement in the nanometer-size Si clusters.

  8. Structural and optical characterization of porous anodic aluminum oxide

    Galca, Aurelian C.; Kooij, E. Stefan; Wormeester, Herbert; Salm, Cora; Leca, Victor; Rector, Jan H.; Poelsema, Bene

    2003-01-01

    Spectroscopic ellipsometry and scanning electron microscopy (SEM) experiments are employed to characterize porous aluminum oxide obtained by anodization of thin aluminum films. Rutherford backscattering spectra and x-ray diffraction experiments provide information on the composition and the structure of the samples. Results on our thin film samples with a well-defined geometry show that anodization of aluminum is reproducible and results in a porous aluminum oxide network with randomly distributed, but perfectly aligned cylindrical pores perpendicular to the substrate. The ellipsometry spectra are analyzed using an anisotropic optical model, partly based on the original work by Bruggeman. The model adequately describes the optical response of the anodized film in terms of three physically relevant parameters: the film thickness, the cylinder fraction, and the nanoporosity of the aluminum oxide matrix. Values of the first two quantities, obtained from fitting the spectra, are in perfect agreement with SEM results, when the nanoporosity of the aluminum oxide matrix is taken into account. The validity of our optical model was verified over a large range of cylinder fractions, by widening of the pores through chemical etching in phosphoric acid. While the cylinder fraction increases significantly with etch time and etchant concentration, the nanoporosity remains almost unchanged. Additionally, based on a simple model considering a linear etch rate, the concentration dependence of the etch rate was determined

  9. Cellular and Porous Materials Thermal Properties Simulation and Prediction

    Öchsner, Andreas; de Lemos, Marcelo J S

    2008-01-01

    Providing the reader with a solid understanding of the fundamentals as well as an awareness of recent advances in properties and applications of cellular and porous materials, this handbook and ready reference covers all important analytical and numerical methods for characterizing and predicting thermal properties. In so doing it directly addresses the special characteristics of foam-like and hole-riddled materials, combining theoretical and experimental aspects for characterization purposes.

  10. CO2 capture on micro/meso-porous composites of (zeolite A)/(MCM-41) with Ca2+ located: Computer simulation and experimental studies

    Jianhai Zhou; Huiling Zhao; Jinxia Li; Yujun Zhu; Jun Hu; Honglai Liu; Ying Hu

    2013-01-01

    Composing of both zeolite and meso-porous structures, micro/meso-porous composites exhibit promising CO 2 capture capabilities. In this work, a full-atomic mimetic 5A-MCM-41 structure with bimodal pores has been constructed, in which the microporous structure of 5A zeolite is constructed and optimized based on zeolite A with Ca and Na cations introduced; whereas the meso-porous MCM-41 structure is produced by caving the cylindrical pores in the obtained 5A zeolite matrix. CO 2 adsorption on 5A-MCM- 41 has been simulated by the grand canonical Monte Carlo (GCMC). The simulation results demonstrated that CO 2 is preferentially adsorbed in micropores, and the CO 2 adsorption capacity and its isosteric heat on 5A-MCM-41 are much larger than those of N 2 . The CO 2 selectivity of 5A-MCM-41 results from the electrostatic interaction of the quadrupole CO 2 molecule with Ca 2+ cations of the zeolite. Furthermore, the hierarchical micro/meso-porous composites are synthesized to verify the simulated predictions. By the hydrothermal reaction using 5A zeolite 'seeds' as the silicon source and hexadecyl trimethylammonium bromide (CTAB) as the meso-porous template, 5A-MCM-41 composites are obtained, the characteristic results show that typical 5A microporous structure is remained and disordered meso-porous networks are produced in the composites.Moreover, the CO 2 adsorption capacity of the 5A-MCM- 41 composites can reach as high as 4.08 mmol/g at 100 kPa and 298 K. These observations have been strongly supported that micro/meso-porous composites with metal ions located would be promising adsorbents for CO 2 separation. (authors)

  11. Physicochemical hydrodynamics of porous structures in vascular plants

    Ryu, Jeongeun; Ahn, Sungsook; Kim, Seung-Gon; Kim, Taejoo; Lee, Sang Joon

    2013-11-01

    Transport of sap flow through xylem conduits of vascular plants has been considered as a passive process, because the xylem conduits are regarded as inert, dead wood. However, plants can actively regulate water transport using ion-mediated response for adapting to environmental changes. In order to understand the active regulation mechanism of physicochemical hydrodynamics of porous structures in vascular plants, the effects of specific ion types and their ionic ratios on the water transport were experimentally investigated under in vivocondition. Based on the experimental results, the principle of ionic effects will be explained through in-vitro comparative experiments and theoretical considerations. This work was supported by the National Research Foundation of Korea(NRF) grant funded by the Korea government (MSIP) (No. 2008-0061991).

  12. Zirconia-hydroxyapatite composite material with micro porous structure.

    Matsumoto, Takuya Junior; An, Sang-Hyun; Ishimoto, Takuya; Nakano, Takayoshi; Matsumoto, Takuya; Imazato, Satoshi

    2011-11-01

    Titanium plates and apatite blocks are commonly used for restoring large osseous defects in dental and orthopedic surgery. However, several cases of allergies against titanium have been recently reported. Also, sintered apatite block does not possess sufficient mechanical strength. In this study, we attempted to fabricate a composite material that has mechanical properties similar to biocortical bone and high bioaffinity by compounding hydroxyapatite (HAp) with the base material zirconia (ZrO(2)), which possesses high mechanical properties and low toxicity toward living organisms. After mixing the raw material powders at several different ZrO(2)/HAp mixing ratios, the material was compressed in a metal mold (8 mm in diameter) at 5 MPa. Subsequently, it was sintered for 5 h at 1500°C to obtain the ZrO(2)/HAp composite. The mechanical property and biocompatibility of materials were investigated. Furthermore, osteoconductivity of materials was investigated by animal studies. A composite material with a minute porous structure was successfully created using ZrO(2)/HAp powders, having different particle sizes, as the starting material. The material also showed high protein adsorption and a favorable cellular affinity. When the mixing ratio was ZrO(2)/HAp=70/30, the strength was equal to cortical bone. Furthermore, in vivo experiments confirmed its high osteoconductivity. The composite material had strength similar to biocortical bones with high cell and tissue affinities by compounding ZrO(2) and HAp. The ZrO(2)/HAp composite material having micro porous structure would be a promising bone restorative material. Copyright © 2011 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  13. Structural control in the synthesis of inorganic porous materials

    Holland, Brian Thomas

    Mesoporous (2.0--50.0 nm pore diameter) and macroporous (50.0 nm on up) materials have been the basis of my studies. These materials, for many years, possessed large pore size distributions. Recently, however, it has been possible to synthesize both mesoporous and macroporous materials that possess highly ordered uniform pores throughout the material. Workers at Mobil Corporation in 1992 discovered a hexagonally arrayed mesoporous material, designated MCM-41, which exhibited uniform pores ranging from 2.0--10.0 nm in diameter. In my work MCM-41 was used as a host for the incorporation of meso-tetrakis(5-trimethylammoniumpentyl)porphyrin (TMAP-Cl) and as a model for the synthesis of mesoporous alumino- and galloaluminophosphates which were created using cluster precursors of the type MO4Al 12(OH)24(H2O)12 7+, M = Al or Ga. Macroporous materials with uniform pore sizes have been synthesized by our group with frameworks consisting of a variety of metal oxides, metals, organosilanes, aluminophosphates and bimodal pores. These materials are synthesized from the addition of metal precursors to preordered polystyrene spheres. Removal of the spheres results in the formation of macropores with highly uniform pores extending microns in length. Porous materials with uniform and adjustable pore sizes in the mesoporous and macroporous size regimes offer distinct advantages over non-ordered materials for numerous reasons. First, catalysis reactions that are based on the ability of the porous materials to impose size and shape restrictions on the substrate are of considerable interest in the petroleum and petrochemical industries. As pore diameters increase larger molecules can be incorporated into the pores, i.e., biological molecules, dyes, etc. For the macroporous materials synthesized by our group it has been envisioned that these structures may not only be used for catalysis because of increased efficiencies of flow but for more advanced applications, e.g., photonic crystals

  14. Optical and structural properties of porous zinc oxide fabricated via electrochemical etching method

    Ching, C.G.; Lee, S.C.; Ooi, P.K.; Ng, S.S.; Hassan, Z.; Hassan, H. Abu; Abdullah, M.J.

    2013-01-01

    Highlights: • Hillock like porous structure zinc oxide was obtained via electrochemical etching. • Anisotropic dominance etching process by KOH etchant. • Reststrahlen features are sensitive to multilayer porous structure. • Determination of porosity from IR reflectance spectrum. -- Abstract: We investigated the optical and structural properties of porous zinc oxide (ZnO) thin film fabricated by ultraviolet light-assisted electrochemical etching. This fabrication process used 10 wt% potassium hydroxide solution as an electrolyte. Hillock-like porous ZnO films were successfully fabricated according to the field emission scanning electron microscopy results. The cross-sectional study of the sample indicated that anisotropic-dominated etching process occurred. However, the atomic force microscopic results showed an increase in surface roughness of the sample after electrochemical etching. A resonance hump induced by the porous structure was observed in the infrared reflectance spectrum. Using theoretical modeling technique, ZnO porosification was verified, and the porosity of the sample was determined

  15. Analysis of fluid flow and heat transfer in a double pipe heat exchanger with porous structures

    Targui, N.; Kahalerras, H.

    2008-01-01

    A numerical study of flow and heat transfer characteristics is made in a double pipe heat exchanger with porous structures inserted in the annular gap in two configurations: on the inner cylinder (A) and on both the cylinders in a staggered fashion (B). The flow field in the porous regions is modelled by the Darcy-Brinkman-Forchheimer model and the finite volume method is used to solve the governing equations. The effects of several parameters such as Darcy number, porous structures thickness and spacing and thermal conductivity ratio are considered in order to look for the most appropriate properties of the porous structures that allow optimal heat transfer enhancement. It is found that the highest heat transfer rates are obtained when the porous structures are attached in configuration B especially at small spacing and high thicknesses

  16. Simulation of water flow in fractured porous medium by using discretized virtual internal bond

    Peng, Shujun; Zhang, Zhennan; Li, Chunfang; He, Guofu; Miao, Guoqing

    2017-12-01

    The discretized virtual internal bond (DVIB) is adopted to simulate the water flow in fractured porous medium. The intact porous medium is permeable because it contains numerous micro cracks and pores. These micro discontinuities construct a fluid channel network. The representative volume of this fluid channel network is modeled as a lattice bond cell with finite number of bonds in statistical sense. Each bond serves as a fluid channel. In fractured porous medium, many bond cells are cut by macro fractures. The conductivity of the fracture facet in a bond cell is taken over by the bonds parallel to the flow direction. The equivalent permeability and volumetric storage coefficient of a micro bond are calibrated based on the ideal bond cell conception, which makes it unnecessary to consider the detailed geometry of a specific element. Such parameter calibration method is flexible and applicable to any type of element. The accuracy check results suggest this method has a satisfying accuracy in both the steady and transient flow simulation. To simulate the massive fractures in rockmass, the bond cells intersected by fracture are assigned aperture values, which are assumed random numbers following a certain distribution law. By this method, any number of fractures can be implicitly incorporated into the background mesh, avoiding the setup of fracture element and mesh modification. The fracture aperture heterogeneity is well represented by this means. The simulation examples suggest that the present method is a feasible, simple and efficient approach to the numerical simulation of water flow in fractured porous medium.

  17. A novel approach to fabrication of three-dimensional porous titanium with controllable structure

    Wang, Dong; Li, Qiuyan; Xu, Mingqin; Jiang, Guofeng; Zhang, Yunxia [Shanghai Key Laboratory of Materials Laser Processing and Modification, and State Key Laboratory of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); He, Guo, E-mail: ghe@sjtu.edu.cn [Shanghai Key Laboratory of Materials Laser Processing and Modification, and State Key Laboratory of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Collaborative Innovation Center for Advanced Ship and Deep-Sea Exploration, Shanghai 200240 (China)

    2017-02-01

    A new approach to fabrication of porous titanium by using the molybdenum wire as space holder was developed, in which titanium liquid was cast into the entangled molybdenum wires in a vacuum environment, and followed by etching off the space holder material in an aqua regia solution. This infiltration casting and acid corrosion method fabricated the porous titanium with different porosities with a pore diameter of 0.4 mm. The porous titanium with the porosity of 32–47% exhibited the Young's modulus in the range of 23–62 GPa and the yielding strength in the range of 76–192 MPa. The adhesion and spreadability of the bovine osteoblast cells on the porous titanium were also evaluated in vitro. The porous titanium with 47% porosity has great potential for implant applications. - Highlights: • A new approach to fabrication of porous titanium was developed. • The 3D morphology of the interconnected porous structure can be exactly controlled. • The as-prepared porous titanium exhibits adequate yielding strength. • The elastic modulus of the porous titanium matches well with that of cortical bone. • The as-prepared porous titanium has great potential for implant applications.

  18. Fast simulation of transport and adaptive permeability estimation in porous media

    Berre, Inga

    2005-07-01

    -61. Amer. Math. Soc., Providence, RI, 2002. Paper B: Time-of-Flight + Fast Marching + Transport Collapse: An Alternative to Streamlines for Two-Phase Porous Media Flow with Capillary Forces? I. Berre, H. K. Dahle, K. H. Karlsen, K.-A. Lie and J. R. Natvig. In Computational Methods in Water Resources (Delft, The Netherlands, 2002), 995- 1002, Elsevier, 2002. Paper C: Fast computation of arrival times in heterogeneous media. I. Berre, K. H. Karlsen, K.-A. Lie and J. R. Natvig. Accepted for publication in Computational Geosciences. Paper D: A Level Set Corrector for an Adaptive Multiscale Permeability Prediction. I. Berre, M. Lien, T. Mannseth. Submitted to Computational Geosciences. Paper E: Combined Adaptive Multi scale and Level Set Parameter Estimation. M. Lien, I. Berre and T. Mannseth. Accepted for publication in SIAM Journal of Multiscale Modeling and Simulation. As all the papers are results of cooperation, some remarks about my contributions are necessary. In Papers A and B, methods for computing saturations based on local streamline tracing are presented. My contributions to the papers include method development and implementation for applying the transport-collapse operator in solving the saturation equation. Paper C presents an advancing front method for fast computation of time-of- flight; in addition, problems related to a previously developed marching approach [62, 61] are identified. My contributions to the paper include identification of the deficiencies of the previous marching approach in collaboration with the co-authors, development of the advancing front algorithm, and implementation of the method together with Jostein Natvig. Papers D and E present a strategy for permeability estimation based on a combination of refinement and deformation of zonation structure. My contributions to the papers include development of the approach for level-set estimation of zonation structure, and implementation of this method together with Martha Lien. All the papers were

  19. Effect of Pore Size and Pore Connectivity on Unidirectional Capillary Penetration Kinetics in 3-D Porous Media using Direct Numerical Simulation

    Fu, An; Palakurthi, Nikhil; Konangi, Santosh; Comer, Ken; Jog, Milind

    2017-11-01

    The physics of capillary flow is used widely in multiple fields. Lucas-Washburn equation is developed by using a single pore-sized capillary tube with continuous pore connection. Although this equation has been extended to describe the penetration kinetics into porous medium, multiple studies have indicated L-W does not accurately predict flow patterns in real porous media. In this study, the penetration kinetics including the effect of pore size and pore connectivity will be closely examined since they are expected to be the key factors effecting the penetration process. The Liquid wicking process is studied from a converging and diverging capillary tube to the complex virtual 3-D porous structures with Direct Numerical Simulation (DNS) using the Volume-Of-Fluid (VOF) method within the OpenFOAM CFD Solver. Additionally Porous Medium properties such as Permeability (k) , Tortuosity (τ) will be also analyzed.

  20. Light emitting structures porous silicon-silicon substrate

    Monastyrskii, L.S.; Olenych, I.B.; Panasjuk, M.R.; Savchyn, V.P.

    1999-01-01

    The research of spectroscopic properties of porous silicon has been done. Complex of photoluminescence, electroluminescence, cathodoluminescence, thermostimulated depolarisation current analyte methods have been applied to study of geterostructures and free layers of porous silicon. Light emitting processes had tendency to decrease. The character of decay for all kinds of luminescence were different

  1. Tough and strong porous bioactive glass-PLA composites for structural bone repair.

    Xiao, Wei; Zaeem, Mohsen Asle; Li, Guangda; Bal, B Sonny; Rahaman, Mohamed N

    2017-08-01

    Bioactive glass scaffolds have been used to heal small contained bone defects but their application to repairing structural bone is limited by concerns about their mechanical reliability. In the present study, the addition of an adherent polymer layer to the external surface of strong porous bioactive glass (13-93) scaffolds was investigated to improve their toughness. Finite element modeling (FEM) of the flexural mechanical response of beams composed of a porous glass and an adherent polymer layer predicted a reduction in the tensile stress in the glass with increasing thickness and elastic modulus of the polymer layer. Mechanical testing of composites with structures similar to the models, formed from 13-93 glass and polylactic acid (PLA), showed trends predicted by the FEM simulations but the observed effects were considerably more dramatic. A PLA layer of thickness -400 µm, equal to -12.5% of the scaffold thickness, increased the load-bearing capacity of the scaffold in four-point bending by ~50%. The work of fracture increased by more than 10,000%, resulting in a non-brittle mechanical response. These bioactive glass-PLA composites, combining bioactivity, high strength, high work of fracture and an internal architecture shown to be conducive to bone infiltration, could provide optimal implants for healing structural bone defects.

  2. Multi-Scale Coupling Between Monte Carlo Molecular Simulation and Darcy-Scale Flow in Porous Media

    Saad, Ahmed Mohamed; Kadoura, Ahmad Salim; Sun, Shuyu

    2016-01-01

    In this work, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell centered finite difference method with non-uniform rectangular mesh were used to discretize the simulation

  3. Impedance Simulation of a Li-Ion Battery with Porous Electrodes and Spherical Li+ Intercalation Particles

    Huang, R.W.J.M.; Chung, F.; Kelder, E.M.

    2006-01-01

    We present a semimathematical model for the simulation of the impedance spectra of a rechargeable lithium batteries consisting of porous electrodes with spherical Li+ intercalation particles. The particles are considered to have two distinct homogeneous phases as a result of the intercalation and

  4. Numerical simulation for a two-phase porous medium flow problem with rate independent hysteresis

    Brokate, M.; Botkin, N.D.; Pykhteev, O.A.

    2012-01-01

    The paper is devoted to the numerical simulation of a multiphase flow in porous medium with a hysteretic relation between the capillary pressures and the saturations of the phases. The flow model we use is based on Darcys law. The hysteretic

  5. Molecular simulation strategy for mechanical modeling of amorphous/porous low-dielectric constant materials

    Yuan, C.A.; Sluis, van der O.; Zhang, G.Q.; Ernst, L.J.; Driel, van W.D.; Flower, A.E.; Silfhout, van R.B.R.

    2008-01-01

    We propose an amorphous/porous molecular connection network generation algorithm for simulating the material stiffness of a low-k material (SiOC:H). Based on a given concentration of the basic building blocks, this algorithm will generate an approximate and large amorphous network. The molecular

  6. Simulation of groundwater flows in unsaturated porous media

    Musy, A.

    1976-01-01

    Groundwater flow in unsaturated porous media is caused by a potential gradient where the total potential consists of the sum of a gravitational and a suction component. The partial differential equations which result from the general analysis of groundwater flow in unsaturated soil are solved by succesive approximations with the finite-element method. General boundary and initial conditions, linear or curvilinear shaped elements (isoparametric elements) and steady-state or transient flow can be introduced into the numerical computer program. The results of this mathematical model are compared with experimental data established in the laboratory with a physical groundwater model. This is a rectangular testing tank of dimension 3 x 1.5 x 0.15 m and contains a silty clay loam. The variation of the bulk density and the volumetric moisture of the soil as a function of time and space are measured by gamma absorption from a 137 Cs source with 300 mCi intensity

  7. Osteoblast growth behavior on porous-structure titanium surface

    Tian Yuan; Ding Siyang; Peng Hui; Lu Shanming; Wang Guoping; Xia Lu; Wang Peizhi

    2012-01-01

    Highlights: ► Micro-arc oxidation technology formed a porous feature on titanium surface. ► This porous surface accelerated adhesion, proliferation and differentiation compared with smooth surface. ► Osteogenesis-related proteins and genes were up regulated by this porous surface. ► It is anticipated that micro-arc oxidation surface could enhance osteoblastic activity and bone regeneration. - Abstract: A bioavailable surface generated by nano-technology could accelerate implant osteointegration, reduce healing time and enable implants to bear early loading. In this study, a nano-porous surface of titanium wafers was modified using micro-arc oxidation technique; surface of smooth titanium was used as control group. Surface characteristic was evaluated by investigating morphology, roughness and hydrophilicity of titanium wafers. In vitro studies, osteoblastic adhesion, proliferation and ALP activity, as well as gene and protein expressions relative to mineralization were assayed. Our results showed that a crater-liked nano-porous surface with greater roughness and better hydrophilicity were fabricated by micro-arc oxidation. It was further indicated that nano-porous surface could enhance adhesion, proliferation and ALP activity of osteoblasts compared with smooth surfaces. In addition, gene and protein expression of collagen-I, osteocalcin and osteopontin were also obviously increased. In summary, micro-arc oxidized techniques could form an irregular nano-porous morphology on implant surface which is favorable to improve osteoblastic function and prospected to be a potent modification of dental implant.

  8. Porous hollow Co₃O₄ with rhombic dodecahedral structures for high-performance supercapacitors.

    Zhang, Yi-Zhou; Wang, Yang; Xie, Ye-Lei; Cheng, Tao; Lai, Wen-Yong; Pang, Huan; Huang, Wei

    2014-11-06

    Porous hollow Co₃O₄ with rhombic dodecahedral structures were prepared by the calcination of ZIF-67 ([Co(mim)2; mim = 2-methylimidazolate]) rhombic dodecahedral microcrystals. A supercapacitor was successfully constructed by adopting the resulting porous hollow Co₃O₄ rhombic dodecahedral structure as the electrode material, which showed a large specific capacitance of 1100 F g(-1) and retained more than 95.1% of the specific capacitance after 6000 continuous charge-discharge cycles. The excellent capacitive properties and stability mark the porous hollow Co₃O₄ with the rhombic dodecahedral structure as one of the most promising electrode materials for high-performance supercapacitors.

  9. Mechanical Properties of Porous Titanium Structure Fabricated by Investment Casting with Pressurization/Depressurization System

    Kang, San; Lee, Ji-Woon; Hyun, Soong-Keun; Lee, Byong-Pil; Kim, Myoung-Gyun; Kim, Young-Jig

    2014-01-01

    A porous titanium structure was fabricated by investment casting with a pressurization/depressurization system, and its mechanical properties were studied. A Micro-Vickers hardness profile revealed that hardness gradually increased from the matrix to the metal/mold interface. A compression test was conducted on a single cell of the porous Ti structure. The theoretical and experimental values of yield strength were in good agreement. Such agreement suggested that the reaction layer did not affect the macro-mechanical properties of the porous Ti structure.

  10. THC-MP: High performance numerical simulation of reactive transport and multiphase flow in porous media

    Wei, Xiaohui; Li, Weishan; Tian, Hailong; Li, Hongliang; Xu, Haixiao; Xu, Tianfu

    2015-07-01

    The numerical simulation of multiphase flow and reactive transport in the porous media on complex subsurface problem is a computationally intensive application. To meet the increasingly computational requirements, this paper presents a parallel computing method and architecture. Derived from TOUGHREACT that is a well-established code for simulating subsurface multi-phase flow and reactive transport problems, we developed a high performance computing THC-MP based on massive parallel computer, which extends greatly on the computational capability for the original code. The domain decomposition method was applied to the coupled numerical computing procedure in the THC-MP. We designed the distributed data structure, implemented the data initialization and exchange between the computing nodes and the core solving module using the hybrid parallel iterative and direct solver. Numerical accuracy of the THC-MP was verified through a CO2 injection-induced reactive transport problem by comparing the results obtained from the parallel computing and sequential computing (original code). Execution efficiency and code scalability were examined through field scale carbon sequestration applications on the multicore cluster. The results demonstrate successfully the enhanced performance using the THC-MP on parallel computing facilities.

  11. Effect of yield curves and porous crush on hydrocode simulations of asteroid airburst

    Robertson, D. K.; Mathias, D. L.

    2017-03-01

    Simulations of asteroid airburst are being conducted to obtain best estimates of damage areas and assess sensitivity to variables for asteroid characterization and mitigation efforts. The simulations presented here employed the ALE3D hydrocode to examine the breakup and energy deposition of asteroids entering the Earth's atmosphere, using the Chelyabinsk meteor as a test case. This paper examines the effect of increasingly complex material models on the energy deposition profile. Modeling the meteor as a rock having a single strength can reproduce airburst altitude and energy deposition reasonably well but is not representative of real rock masses (large bodies of material). Accounting for a yield curve that includes different tensile, shear, and compressive strengths shows that shear strength determines the burst altitude. Including yield curves and compaction of porous spaces in the material changes the detailed mechanics of the breakup but only has a limited effect on the burst altitude and energy deposition. Strong asteroids fail and create peak energy deposition close to the altitude at which ram dynamic pressure equals the material strength. Weak asteroids, even though they structurally fail at high altitude, require the increased pressure at lower altitude to disrupt and disperse the rubble. As a result, a wide range of weaker asteroid strengths produce peak energy deposition at a similar altitude.

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

    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.

  13. Neutron radiography for the characterization of porous structure in degraded building stones

    Barone, G; Mazzoleni, P; Raneri, S; Crupi, V; Longo, F; Majolino, D; Venuti, V; Teixeira, J

    2014-01-01

    As it is well known, the porous structure of stones can change due to different degradation processes that modify the characteristics of freshly quarried blocks. Their knowledge is fundamental for predicting the behavior of stones and the efficacy of conservative treatments. In this context, neutron radiography is a useful tool not only to visualize the structure of porous materials, but also to evaluate the degree of degradation and surface modifications resulting from weathering processes. Furthermore, since thermal neutrons suffer a strong attenuation by hydrogen, this technique is effective in order to investigate the amount of absorbed water in building materials. In the present work, we report a neutron radiography investigation of limestones cropping out in the South-Eastern Sicily and widely used as building stones in Baroque monuments of the Noto Valley. The analyzed samples have been submitted to cyclic salt crystallization that simulate degradation processes acting in exposed stones of buildings. The obtained results demonstrate the interest of neutron radiography to better understand deterioration processes in limestones and to acquire information useful for restoration projects

  14. Interpretation of electrokinetic measurements with porous films: role of electric conductance and streaming current within porous structure.

    Yaroshchuk, Andriy; Luxbacher, Thomas

    2010-07-06

    It is shown that in tangential electrokinetic measurements with porous films the porous structure makes contribution not only to the cell electric conductance (as demonstrated previously) but also to the observed streaming current. Both of these contributions give rise to dependences of streaming-potential and streaming-current coefficients on the channel height. However, due to the combined contribution of two phenomena, the dependence of streaming-potential coefficient on the channel height may be rather complicated and not allow for simple extrapolation. At the same time, the dependences of streaming-current coefficient and cell electric conductance on the channel height turn out linear and can be easily extrapolated to zero channel heights. This enables one to determine separately the contributions of external surface of porous film and of its porous structure to the streaming current and of the channel and porous structure to the cell electric conductance. This procedure is illustrated by the measurements of tangential electrokinetic phenomena and electric conductance with Millipore mixed-cellulose membrane filters of various average pore sizes (from 0.025 to 5 mum) in the so-called adjustable-gap cell of SurPASS electrokinetic instrument (Anton Paar GmbH). The design of this cell allows for easy and quasi-continuous variation of channel height as well as accurate determination of cell electric conductance, streaming-current coefficient, and channel height (from the cell hydraulic permeability). The quality of linear fits of experimental data has been found to be very good, and thus, the extrapolation procedures were quite reliable and accurate. Zeta-potentials could be determined of both external film and internal pore surfaces. It is demonstrated that the porous structures make considerable contributions to both streaming-current coefficient and cell electric conductance especially in the case of filters with larger pores. It is also found that, rather

  15. Parallelization of TWOPORFLOW, a Cartesian Grid based Two-phase Porous Media Code for Transient Thermo-hydraulic Simulations

    Trost, Nico; Jiménez, Javier; Imke, Uwe; Sanchez, Victor

    2014-06-01

    TWOPORFLOW is a thermo-hydraulic code based on a porous media approach to simulate single- and two-phase flow including boiling. It is under development at the Institute for Neutron Physics and Reactor Technology (INR) at KIT. The code features a 3D transient solution of the mass, momentum and energy conservation equations for two inter-penetrating fluids with a semi-implicit continuous Eulerian type solver. The application domain of TWOPORFLOW includes the flow in standard porous media and in structured porous media such as micro-channels and cores of nuclear power plants. In the latter case, the fluid domain is coupled to a fuel rod model, describing the heat flow inside the solid structure. In this work, detailed profiling tools have been utilized to determine the optimization potential of TWOPORFLOW. As a result, bottle-necks were identified and reduced in the most feasible way, leading for instance to an optimization of the water-steam property computation. Furthermore, an OpenMP implementation addressing the routines in charge of inter-phase momentum-, energy- and mass-coupling delivered good performance together with a high scalability on shared memory architectures. In contrast to that, the approach for distributed memory systems was to solve sub-problems resulting by the decomposition of the initial Cartesian geometry. Thread communication for the sub-problem boundary updates was accomplished by the Message Passing Interface (MPI) standard.

  16. Reactive molecular dynamic simulations on the gas separation performance of porous graphene membrane.

    Esfandiarpoor, Somaye; Fazli, Mostafa; Ganji, Masoud Darvish

    2017-11-29

    The separation of gases molecules with similar diameter and shape is an important area of research. For example, the major challenge to set up sweeping carbon dioxide capture and storage (CCS) in power plants is the energy requisite to separate the CO 2 from flue gas. Porous graphene has been proposed as superior material for highly selective membranes for gas separation. Here we design some models of porous graphene with different sizes and shape as well as employ double layers porous graphene for efficient CO 2 /H 2 separation. The selectivity and permeability of gas molecules through various nanopores were investigated by using the reactive molecular dynamics simulation which considers the bond forming/breaking mechanism for all atoms. Furthermore, it uses a geometry-dependent charge calculation scheme that accounts appropriately for polarization effect which can play an important role in interacting systems. It was found that H-modified porous graphene membrane with pore diameter (short side) of about 3.75 Å has excellent selectivity for CO 2 /H 2 separation. The mechanism of gas penetration through the sub-nanometer pore was presented for the first time. The accuracy of MD simulation results validated by valuable DFT method. The present findings show that reactive MD simulation can propose an economical means of separating gases mixture.

  17. Structure and Stability of Deflagrations in Porous Energetic Materials

    stephen B. Margolis; Forman A. Williams

    1999-03-01

    Theoretical two-phase-flow analyses have recently been developed to describe the structure and stability of multi-phase deflagrations in porous energetic materials, in both confined and unconfined geometries. The results of these studies are reviewed, with an emphasis on the fundamental differences that emerge with respect to the two types of geometries. In particular, pressure gradients are usually negligible in unconfined systems, whereas the confined problem is generally characterized by a significant gas-phase pressure difference, or overpressure, between the burned and unburned regions. The latter leads to a strong convective influence on the burning rate arising from the pressure-driven permeation of hot gases into the solid/gas region and the consequent preheating of the unburned material. It is also shown how asymptotic models that are suitable for analyzing stability may be derived based on the largeness of an overall activation-energy parameter. From an analysis of such models, it is shown that the effects of porosity and two-phase flow are generally destabilizing, suggesting that degraded propellants, which exhibit greater porosity than their pristine counterparts, may be more readily subject to combustion instability and nonsteady deflagration.

  18. Controlling Interfacial Separation in Porous Structures by Void Patterning

    Ghareeb, Ahmed; Elbanna, Ahmed

    Manipulating interfacial response for enhanced adhesion or fracture resistance is a problem of great interest to scientists and engineers. In many natural materials and engineering applications, an interface exists between a porous structure and a substrate. A question that arises is how the void distribution in the bulk may affect the interfacial response and whether it is possible to alter the interfacial toughness without changing the surface physical chemistry. In this paper, we address this question by studying the effect of patterning voids on the interfacial-to-the overall response of an elastic plate glued to a rigid substrate by bilinear cohesive material. Different patterning categories are investigated; uniform, graded, and binary voids. Each case is subjected to upward displacement at the upper edge of the plate. We show that the peak force and maximum elongation at failure depend on the voids design and by changing the void size, alignment or gradation we may control these performance measures. We relate these changes in the measured force displacement response to energy release rate as a measure of interfacial toughness. We discuss the implications of our results on design of bulk heterogeneities for enhanced interfacial behavior.

  19. Direct numerical simulations of mack-mode damping on porous coated cones

    Lüdeke, H.; Wartemann, V.

    2013-06-01

    The flow field over a 3 degree blunt cone is investigated with respect to a hypersonic stability analysis of the boundary-layer flow at Mach 6 with porous as well as smooth walls by comparing local direct numerical simulations (DNS) and linear stability theory (LST) data. The original boundary-layer profile is generated by a finite volume solver, using shock capturing techniques to generate an axisymmetric flow field. Local boundary-layer profiles are extracted from this flow field and hypersonic Mack-modes are superimposed for cone-walls with and without a porous surface used as a passive transition-reduction device. Special care is taken of curvature effects of the wall on the mode development over smooth and porous walls.

  20. Simulation Study of Shock Reaction on Porous Material

    Xu Aiguo; Zhang Guangcai; Pan Xiaofei; Zhu Jianshi

    2009-01-01

    Direct modeling of porous materials under shock is a complex issue. We investigate such a system via the newly developed material-point method. The effects of shock strength and porosity size are the main concerns. For the same porosity, the effects of mean-void-size are checked. It is found that local turbulence mixing and volume dissipation are two important mechanisms for transformation of kinetic energy to heat. When the porosity is very small, the shocked portion may arrive at a dynamical steady state; the voids in the downstream portion reflect back rarefactive waves and result in slight oscillations of mean density and pressure; for the same value of porosity, a larger mean-void-size makes a higher mean temperature. When the porosity becomes large, hydrodynamic quantities vary with time during the whole shock-loading procedure: after the initial stage, the mean density and pressure decrease, but the temperature increases with a higher rate. The distributions of local density, pressure, temperature and particle-velocity are generally non-Gaussian and vary with time. The changing rates depend on the porosity value, mean-void-size and shock strength. The stronger the loaded shock, the stronger the porosity effects. This work provides a supplement to experiments for the very quick procedures and reveals more fundamental mechanisms in energy and momentum transportation. (general)

  1. Phase field simulation of grain growth in porous uranium dioxide

    Ahmed, Karim; Pakarinen, Janne; Allen, Todd; El-Azab, Anter

    2014-01-01

    Graphical abstract: Display Omitted -- Abstract: A novel phase field model has been developed to investigate grain growth in porous polycrystalline UO 2 . Based on a system of Cahn–Hilliard and Allen–Cahn equations, the model takes into consideration both the curvature driven grain boundary motion and pore migration by surface diffusion. As such, the model accounts for the interaction between pore and grain boundary kinetics, which tends to retard the growth process. The phase field model parameters are found in terms of measurable material properties. Hence, quantitative results that can be compared with experiments were obtained. The model has been used to investigate the effect of porosity on the kinetics of grain growth in UO 2 . It is found that, as the amount of porosity increases, grain growth in UO 2 gradually changes from boundary controlled growth to pore controlled growth. For high porosity levels, the grain growth completely stops after a short evolution time. It is also found that the inhomogeneous distribution of pores leads to abnormal grain growth even without taking into account the anisotropy in grain boundary energy and mobility. The effects of porosity, temperature and initial microstructure on grain growth were thoroughly investigated. The model predictions are in good agreement with published experimental results of grain growth in UO 2

  2. Synthesis and structural evaluation of freeze-cast porous alumina

    Souza, Douglas F., E-mail: souzadf@outlook.com [Department of Metallurgical and Materials Engineering, Federal University of Minas Gerais — UFMG, Avenida Presidente Antônio Carlos, 6627, Campus UFMG, Belo Horizonte, MG CEP: 31270-901, Escola de Engenharia, bloco 2, sala 2230 (Brazil); Nunes, Eduardo H.M., E-mail: eduardohmn@gmail.com [Department of Metallurgical and Materials Engineering, Federal University of Minas Gerais — UFMG, Avenida Presidente Antônio Carlos, 6627, Campus UFMG, Belo Horizonte, MG CEP: 31270-901, Escola de Engenharia, bloco 2, sala 2230 (Brazil); Pimenta, Daiana S.; Vasconcelos, Daniela C.L. [Department of Metallurgical and Materials Engineering, Federal University of Minas Gerais — UFMG, Avenida Presidente Antônio Carlos, 6627, Campus UFMG, Belo Horizonte, MG CEP: 31270-901, Escola de Engenharia, bloco 2, sala 2230 (Brazil); Nascimento, Jailton F.; Grava, Wilson [Petrobras/CENPES, Avenida Horácio Macedo 950, Cidade Universitária, Ilha do Fundão, Rio de Janeiro, RJ CEP:21941-915 (Brazil); Houmard, Manuel [Department of Materials Engineering and Civil Construction, Federal University of Minas Gerais — UFMG, Avenida Presidente Antônio Carlos, 6627, Campus UFMG, Belo Horizonte, MG CEP: 31270-901, Escola de Engenharia, bloco 1, sala 3304 (Brazil); Vasconcelos, Wander L., E-mail: wlv@demet.ufmg.br [Department of Metallurgical and Materials Engineering, Federal University of Minas Gerais — UFMG, Avenida Presidente Antônio Carlos, 6627, Campus UFMG, Belo Horizonte, MG CEP: 31270-901, Escola de Engenharia, bloco 2, sala 2230 (Brazil)

    2014-10-15

    In this work we fabricated alumina samples by the freeze-casting technique using tert-butanol as the solvent. The prepared materials were examined by scanning electron microscopy and X-ray microtomography. Next, they were coated with sol–gel silica films by dip-coating. Permeability tests were carried out in order to assess the permeation behavior of the materials processed in this study. We observed that the sintering time and alumina loading showed a remarkable effect on both the structural properties and flexural strength of the freeze-cast samples. Nitrogen adsorption tests revealed that the silica prepared in this study exhibited a microporous structure. It was observed that the presence of silica coatings on the alumina surface decreased the CO{sub 2} permeance by about one order of magnitude. Because of the similar kinetic diameters of nitrogen and carbon dioxide, the CO{sub 2}/N{sub 2} system showed a separation efficiency that was lower than that observed for the He/CO{sub 2} and He/N{sub 2} systems. We noticed that increasing the feed pressure improved the separation capacity of the obtained materials. - Highlights: • Porous alumina samples obtained by the freeze-casting technique • Microporous silica coating prepared by a simple sol–gel dip-coating methodology • Samples examined by SEM, μ-CT, and nitrogen sorption tests • Mechanical tests were carried out in the freeze-cast samples. • The presence of silica coatings on the alumina surface decreased the CO{sub 2} permeance.

  3. Numerical Simulation on Hydromechanical Coupling in Porous Media Adopting Three-Dimensional Pore-Scale Model

    Liu, Jianjun; Song, Rui; Cui, Mengmeng

    2014-01-01

    A novel approach of simulating hydromechanical coupling in pore-scale models of porous media is presented in this paper. Parameters of the sandstone samples, such as the stress-strain curve, Poisson's ratio, and permeability under different pore pressure and confining pressure, are tested in laboratory scale. The micro-CT scanner is employed to scan the samples for three-dimensional images, as input to construct the model. Accordingly, four physical models possessing the same pore and rock matrix characteristics as the natural sandstones are developed. Based on the micro-CT images, the three-dimensional finite element models of both rock matrix and pore space are established by MIMICS and ICEM software platform. Navier-Stokes equation and elastic constitutive equation are used as the mathematical model for simulation. A hydromechanical coupling analysis in pore-scale finite element model of porous media is simulated by ANSYS and CFX software. Hereby, permeability of sandstone samples under different pore pressure and confining pressure has been predicted. The simulation results agree well with the benchmark data. Through reproducing its stress state underground, the prediction accuracy of the porous rock permeability in pore-scale simulation is promoted. Consequently, the effects of pore pressure and confining pressure on permeability are revealed from the microscopic view. PMID:24955384

  4. Investigation of the porous structure of glassy carbon by SAXS - an application of synchrotron radiation

    Braun, A; Baertsch, M; Schnyder, B; Koetz, R; Haas, O [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    The porous structure of Electrochemical Double Layer Capacitor (EDC) Electrodes was investigated using Small Angle X-ray Scattering (SAXS), assuming logarithmically normal distributed micropores. (author) 2 figs., 1 ref.

  5. The formation and evolution of layered structures in porous media: effects of porosity and mechanical dispersion

    Schoofs, Stan; Trompert, Ron A.; Hansen, Ulrich

    1999-01-01

    Horizontally layered structures can develop in porous or partially molten environments, such as hydrothermal systems, magmatic intrusions and the early Earth's mantle. The porosity f of these natural environments is typically small. Since dissolved chemical elements unlike heat cannot diffuse

  6. Influence of the volume ratio of solid phase on carrying capacity of regular porous structure

    Monkova Katarina

    2017-01-01

    Full Text Available Direct metal laser sintering is spread technology today. The main advantage of this method is the ability to produce parts which have a very complex geometry and which can be produced only in very complicated way by classical conventional methods. Special category of such components are parts with porous structure, which can give to the product extraordinary combination of properties. The article deals with some aspects that influence the manufacturing of regular porous structures in spite of the fact that input technological parameters at various samples were the same. The main goal of presented research has been to investigate the influence of the volume ratio of solid phase on carrying capacity of regular porous structure. Realized tests have indicated that the unit of regular porous structure with lower volume ratio is able to carry a greater load to failure than the unit with higher volume ratio.

  7. Numerical Modeling of Porous Structure of Biomaterial and Fluid Flowing Through Biomaterial

    2005-01-01

    A Cellular Automata model of simulating body fluid flowing into porous bioceramic implants generated with stochastic methods is described, of which main parameters and evolvement rule are determined in terms of flow behavior of body fluid in porous biomaterials. The model is implemented by GUI( Graphical User Interface) program in MATLAB, and the results of numerical modeling show that the body fluid percolation is related to the size of pores and porosity.

  8. Osteoblast growth behavior on porous-structure titanium surface

    Tian Yuan; Ding Siyang; Peng Hui; Lu Shanming; Wang Guoping [Research Institute of Stomatology, Nanjing Medical University, Nanjing 210029 (China); Xia Lu, E-mail: shelueia@yahoo.com.cn [Research Institute of Stomatology, Nanjing Medical University, Nanjing 210029 (China); Wang Peizhi, E-mail: wangpzi@sina.com [Research Institute of Stomatology, Nanjing Medical University, Nanjing 210029 (China)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer Micro-arc oxidation technology formed a porous feature on titanium surface. Black-Right-Pointing-Pointer This porous surface accelerated adhesion, proliferation and differentiation compared with smooth surface. Black-Right-Pointing-Pointer Osteogenesis-related proteins and genes were up regulated by this porous surface. Black-Right-Pointing-Pointer It is anticipated that micro-arc oxidation surface could enhance osteoblastic activity and bone regeneration. - Abstract: A bioavailable surface generated by nano-technology could accelerate implant osteointegration, reduce healing time and enable implants to bear early loading. In this study, a nano-porous surface of titanium wafers was modified using micro-arc oxidation technique; surface of smooth titanium was used as control group. Surface characteristic was evaluated by investigating morphology, roughness and hydrophilicity of titanium wafers. In vitro studies, osteoblastic adhesion, proliferation and ALP activity, as well as gene and protein expressions relative to mineralization were assayed. Our results showed that a crater-liked nano-porous surface with greater roughness and better hydrophilicity were fabricated by micro-arc oxidation. It was further indicated that nano-porous surface could enhance adhesion, proliferation and ALP activity of osteoblasts compared with smooth surfaces. In addition, gene and protein expression of collagen-I, osteocalcin and osteopontin were also obviously increased. In summary, micro-arc oxidized techniques could form an irregular nano-porous morphology on implant surface which is favorable to improve osteoblastic function and prospected to be a potent modification of dental implant.

  9. Structure and properties of porous films based on aliphatic copolyamide developed for cellular technologies

    Dobrovol`skaya, I.P.; Popryadukhin, P.V.; Yudin, V. E.; Ivankova, E.M.; Elokhovskiy, V.Y.; Weishauptová, Zuzana; Balík, Karel

    2015-01-01

    Roč. 26, č. 1 (2015), article number 46 ISSN 0957-4530 Institutional support: RVO:67985891 Keywords : porous film * aliphatic copolyamide * structure * properties Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.272, year: 2015 http://www.stem-art.com/Library/Science/Structure%20and%20properties%20of%20porous%20films%20based%20on%20aliphatic%20copolyamide%20developed%20for%20cellular%20technologies.pdf

  10. Porous hollow Co3O4 with rhombic dodecahedral structures for high-performance supercapacitors

    Zhang, Yi-Zhou; Wang, Yang; Xie, Ye-Lei; Cheng, Tao; Lai, Wen-Yong; Pang, Huan; Huang, Wei

    2014-11-01

    Porous hollow Co3O4 with rhombic dodecahedral structures were prepared by the calcination of ZIF-67 ([Co(mim)2; mim = 2-methylimidazolate]) rhombic dodecahedral microcrystals. A supercapacitor was successfully constructed by adopting the resulting porous hollow Co3O4 rhombic dodecahedral structure as the electrode material, which showed a large specific capacitance of 1100 F g-1 and retained more than 95.1% of the specific capacitance after 6000 continuous charge-discharge cycles. The excellent capacitive properties and stability mark the porous hollow Co3O4 with the rhombic dodecahedral structure as one of the most promising electrode materials for high-performance supercapacitors.Porous hollow Co3O4 with rhombic dodecahedral structures were prepared by the calcination of ZIF-67 ([Co(mim)2; mim = 2-methylimidazolate]) rhombic dodecahedral microcrystals. A supercapacitor was successfully constructed by adopting the resulting porous hollow Co3O4 rhombic dodecahedral structure as the electrode material, which showed a large specific capacitance of 1100 F g-1 and retained more than 95.1% of the specific capacitance after 6000 continuous charge-discharge cycles. The excellent capacitive properties and stability mark the porous hollow Co3O4 with the rhombic dodecahedral structure as one of the most promising electrode materials for high-performance supercapacitors. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr04782f

  11. Pore-Scale Simulation for Predicting Material Transport Through Porous Media

    Goichi Itoh; Jinya Nakamura; Koji Kono; Tadashi Watanabe; Hirotada Ohashi; Yu Chen; Shinya Nagasaki

    2002-01-01

    Microscopic models of real-coded lattice gas automata (RLG) method with a special boundary condition and lattice Boltzmann method (LBM) are developed for simulating three-dimensional fluid dynamics in complex geometry. Those models enable us to simulate pore-scale fluid dynamics that is an essential part for predicting material transport in porous media precisely. For large-scale simulation of porous media with high resolution, the RLG and LBM programs are designed for parallel computation. Simulation results of porous media flow by the LBM with different pressure gradient conditions show quantitative agreements with macroscopic relations of Darcy's law and Kozeny-Carman equation. As for the efficiency of parallel computing, a standard parallel computation by using MPI (Message Passing Interface) is compared with the hybrid parallel computation of MPI-node parallel technique. The benchmark tests conclude that in case of using large number of computing node, the parallel performance declines due to increase of data communication between nodes and the hybrid parallel computation totally shows better performance in comparison with the standard parallel computation. (authors)

  12. Effect of polymer and additive on the structure and property of porous stainless steel hollow fiber

    Ma, Xiao-Hua; Bai, Yu; Cao, Yue; Xu, Zhen-Liang [East China University of Science and Technology, Shanghai (China)

    2014-08-15

    Porous stainless steel hollow fiber has been widely used due to its high mechanical strength, excellent thermal conductivity and good sealing properties compared with other porous supports. We successfully prepared porous stainless steel hollow fibers using polyacrylonitrile (PAN) as polymer via dry-wet spinning followed by sintering through temperature programming method. The PAN concentration had an obvious impact on the structure and property of porous stainless steel hollow fiber even if it would be burned off during sintering. The results showed that the morphology could be tuned by adjusting the concentration of PAN. With increasing PAN concentration in casting solution for spinning, the viscosity was increased dramatically, resulting in much compact structures with high pure water flux (higher than 3x10{sup 5} L·m{sup -2}·h{sup -1}·Pa{sup -1}). A more dense structure could be obtained by adding additive polyvinylpyrrolidone (PVP) as viscosity enhancer.

  13. Porous silicon structures with high surface area/specific pore size

    Northrup, M.A.; Yu, C.M.; Raley, N.F.

    1999-03-16

    Fabrication and use of porous silicon structures to increase surface area of heated reaction chambers, electrophoresis devices, and thermopneumatic sensor-actuators, chemical preconcentrates, and filtering or control flow devices. In particular, such high surface area or specific pore size porous silicon structures will be useful in significantly augmenting the adsorption, vaporization, desorption, condensation and flow of liquids and gases in applications that use such processes on a miniature scale. Examples that will benefit from a high surface area, porous silicon structure include sample preconcentrators that are designed to adsorb and subsequently desorb specific chemical species from a sample background; chemical reaction chambers with enhanced surface reaction rates; and sensor-actuator chamber devices with increased pressure for thermopneumatic actuation of integrated membranes. Examples that benefit from specific pore sized porous silicon are chemical/biological filters and thermally-activated flow devices with active or adjacent surfaces such as electrodes or heaters. 9 figs.

  14. Pressure Sensitive Device Using Conductive and Porous Structures

    So, Hye-Mi; Chang, Won Seok; Park, Cheolmin

    2014-01-01

    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. Pressure Sensitive Device Using Conductive and Porous Structures

    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.

  16. Infill Optimization for Additive Manufacturing-Approaching Bone-Like Porous Structures.

    Wu, Jun; Aage, Niels; Westermann, Rudiger; Sigmund, Ole

    2018-02-01

    Porous structures such as trabecular bone are widely seen in nature. These structures are lightweight and exhibit strong mechanical properties. In this paper, we present a method to generate bone-like porous structures as lightweight infill for additive manufacturing. Our method builds upon and extends voxel-wise topology optimization. In particular, for the purpose of generating sparse yet stable structures distributed in the interior of a given shape, we propose upper bounds on the localized material volume in the proximity of each voxel in the design domain. We then aggregate the local per-voxel constraints by their p-norm into an equivalent global constraint, in order to facilitate an efficient optimization process. Implemented on a high-resolution topology optimization framework, our results demonstrate mechanically optimized, detailed porous structures which mimic those found in nature. We further show variants of the optimized structures subject to different design specifications, and we analyze the optimality and robustness of the obtained structures.

  17. Cost-Effective Fabrication of Inner-Porous Micro/Nano Carbon Structures.

    Jiang, Shulan; Shi, Tielin; Tang, Zirong; Xi, Shuang

    2018-03-01

    This paper reports the fabrication of a new micro/nano carbon architecture array which owns the characteristics of inner-porous, desired conductivity and large effective surface area. The micro/nano inner-porous carbon structures were fabricated for the first time, with ordinary and cost-effective processes, including photolithography, oxygen plasma etching and pyrolysis. Firstly, micro/nano hierarchical photoresist structures array was generated through photolithography and oxygen plasma etching processes. By introducing a critical thin-film spin-coating step, and followed with carefully pyrolyzing process, the micro/nano photoresist structures were converted into innerporous carbon architectures with good electric connection which connected the carbon structures array together. Probably the inner-porous property can be attributed to the shrinkage difference between positive thin film and negative photoresist structures during pyrolyzing process. It is demonstrated that the simple method is effective to fabricate inner-porous carbon structures with good electric connection and the carbon structures can be used as electrochemical electrodes directly and without the addition of other pyrolysis or film coating processes. The electrochemical property of the carbon structures has been explored by cyclic voltammetric measurement. Compared with solid carbon microstructures array, the cyclic voltammetry curve of inner-porous carbon structures shows greatly enhanced current and improved charge-storage capability, indicating great potential in micro energy storage devices and bio-devices.

  18. Strategy for Predicting Effective Transport Properties of Complex Porous Structures

    Salejová, G.; Grof, Z.; Šolcová, Olga; Schneider, Petr; Kosek, J.

    2011-01-01

    Roč. 35, č. 2 (2011), s. 200-211 ISSN 0098-1354 Institutional research plan: CEZ:AV0Z40720504 Keywords : porous media * pore space reconstruction * effective diffusivity Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.320, year: 2011

  19. Simplified method to solve sound transmission through structures lined with elastic porous material.

    Lee, J H; Kim, J

    2001-11-01

    An approximate analysis method is developed to calculate sound transmission through structures lined with porous material. Because the porous material has both the solid phase and fluid phase, three wave components exist in the material, which makes the related analysis very complicated. The main idea in developing the approximate method is very simple: modeling the porous material using only the strongest of the three waves, which in effect idealizes the material as an equivalent fluid. The analysis procedure has to be conducted in two steps. In the first step, sound transmission through a flat double panel with a porous liner of infinite extents, which has the same cross sectional construction as the actual structure, is solved based on the full theory and the strongest wave component is identified. In the second step sound transmission through the actual structure is solved modeling the porous material as an equivalent fluid while using the actual geometry of the structure. The development and validation of the method are discussed in detail. As an application example, the transmission loss through double walled cylindrical shells with a porous core is calculated utilizing the simplified method.

  20. Lattice Boltzmann Simulation of Permeability and Tortuosity for Flow through Dense Porous Media

    Ping Wang

    2014-01-01

    Full Text Available Discrete element method (DEM is used to produce dense and fixed porous media with rigid mono spheres. Lattice Boltzmann method (LBM is adopted to simulate the fluid flow in interval of dense spheres. To simulating the same physical problem, the permeability is obtained with different lattice number. We verify that the permeability is irrelevant to the body force and the media length along flow direction. The relationships between permeability, tortuosity and porosity, and sphere radius are researched, and the results are compared with those reported by other authors. The obtained results indicate that LBM is suited to fluid flow simulation of porous media due to its inherent theoretical advantages. The radius of sphere should have ten lattices at least and the media length along flow direction should be more than twenty radii. The force has no effect on the coefficient of permeability with the limitation of slow fluid flow. For mono spheres porous media sample, the relationship of permeability and porosity agrees well with the K-C equation, and the tortuosity decreases linearly with increasing porosity.

  1. Pore-scale simulation of fluid flow and solute dispersion in three-dimensional porous media

    Icardi, Matteo

    2014-07-31

    In the present work fluid flow and solute transport through porous media are described by solving the governing equations at the pore scale with finite-volume discretization. Instead of solving the simplified Stokes equation (very often employed in this context) the full Navier-Stokes equation is used here. The realistic three-dimensional porous medium is created in this work by packing together, with standard ballistic physics, irregular and polydisperse objects. Emphasis is placed on numerical issues related to mesh generation and spatial discretization, which play an important role in determining the final accuracy of the finite-volume scheme and are often overlooked. The simulations performed are then analyzed in terms of velocity distributions and dispersion rates in a wider range of operating conditions, when compared with other works carried out by solving the Stokes equation. Results show that dispersion within the analyzed porous medium is adequately described by classical power laws obtained by analytic homogenization. Eventually the validity of Fickian diffusion to treat dispersion in porous media is also assessed. © 2014 American Physical Society.

  2. Effect of Pressing Parameters on the Structure of Porous Materials Based on Cobalt and Nickel Powders

    Shustov, V. S.; Rubtsov, N. M.; Alymov, M. I.; Ankudinov, A. B.; Evstratov, E. V.; Zelensky, V. A.

    2018-03-01

    Porous materials with a bulk porosity of more than 68% were synthesized by powder metallurgy methods from a cobalt-nickel mixture. The effect of the ratio of nickel and cobalt powders used in the synthesis of this porous material (including cases when either nickel or cobalt alone was applied) and the conditions of their compaction on structural parameters, such as open and closed porosities and pose size, was established.

  3. Comparison of NMR simulations of porous media derived from analytical and voxelized representations.

    Jin, Guodong; Torres-Verdín, Carlos; Toumelin, Emmanuel

    2009-10-01

    We develop and compare two formulations of the random-walk method, grain-based and voxel-based, to simulate the nuclear-magnetic-resonance (NMR) response of fluids contained in various models of porous media. The grain-based approach uses a spherical grain pack as input, where the solid surface is analytically defined without an approximation. In the voxel-based approach, the input is a computer-tomography or computer-generated image of reconstructed porous media. Implementation of the two approaches is largely the same, except for the representation of porous media. For comparison, both approaches are applied to various analytical and digitized models of porous media: isolated spherical pore, simple cubic packing of spheres, and random packings of monodisperse and polydisperse spheres. We find that spin magnetization decays much faster in the digitized models than in their analytical counterparts. The difference in decay rate relates to the overestimation of surface area due to the discretization of the sample; it cannot be eliminated even if the voxel size decreases. However, once considering the effect of surface-area increase in the simulation of surface relaxation, good quantitative agreement is found between the two approaches. Different grain or pore shapes entail different rates of increase of surface area, whereupon we emphasize that the value of the "surface-area-corrected" coefficient may not be universal. Using an example of X-ray-CT image of Fontainebleau rock sample, we show that voxel size has a significant effect on the calculated surface area and, therefore, on the numerically simulated magnetization response.

  4. Characteristics of Wave Reflection for Vertical and Slit Caissons with Porous Structures

    Tae-Hwa Jung

    2012-01-01

    Full Text Available Offshore structures are occasionally located at a relatively deep water region, the outside of breakwater. In this case, these structures may be damaged by the supposition of incident and reflected waves from a vertical breakwater. To prevent the damage, the reflected waves are controlled by installing porous structures at the face of the vertical breakwater. In this study, numerical experiments are carried out to identify the characteristics of wave reflection from the porous structures installing in front of a vertical or slit caisson.

  5. Simulation of flow in dual-scale porous media

    Tan, Hua

    Liquid composite molding (LCM) is one of the most effective processes for manufacturing near net-shaped parts from fiber-reinforced polymer composites. The quality of LCM products and the efficiency of the process depend strongly on the wetting of fiber preforms during the mold-filling stage of LCM. Mold-filling simulation is a very effective approach to optimize the LCM process and mold design. Recent studies have shown that the flow modeling for the single-scale fiber preforms (made from random mats) has difficulties in accurately predicting the wetting in the dual-scale fiber preforms (made from woven and stitched fabrics); the latter are characterized by the presence of unsaturated flow created due to two distinct length-scales of pores (i.e., large pores outside the tows and small pores inside the tows) in the same media. In this study, we first develop a method to evaluate the accuracy of the permeability-measuring devices for LCM, and conduct a series of 1-D mold-filling experiments for different dual-scale fabrics. The volume averaging method is then applied to derive the averaged governing equations for modeling the macroscopic flow through the dual-scale fabrics. The two sets of governing equations are coupled with each other through the sink terms representing the absorptions of mass, energy, and species (degree of resin cure) from the global flow by the local fiber tows. The finite element method (FEM) coupled with the control volume method, also known as the finite element/control volume (FE/CV) method, is employed to solve the governing equations and track the moving boundary signifying the moving liquid-front. The numerical computations are conducted with the help of an in-house developed computer program called PORE-FLOW(c). We develop the flux-corrected transport (FCT) based FEM to stabilize the convection-dominated energy and species equations. A fast methodology is proposed to simulate the dual-scale flow under isothermal conditions, where flow

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

    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.

  7. Numerical simulation for a two-phase porous medium flow problem with rate independent hysteresis

    Brokate, M.; Botkin, N.D.; Pykhteev, O.A.

    2012-01-01

    The paper is devoted to the numerical simulation of a multiphase flow in porous medium with a hysteretic relation between the capillary pressures and the saturations of the phases. The flow model we use is based on Darcy's law. The hysteretic relation between the capillary pressures and the saturations is described by a play-type hysteresis operator. We propose a numerical algorithm for treating the arising system of equations, discuss finite element schemes and present simulation results for the case of two phases.

  8. Numerical simulation for a two-phase porous medium flow problem with rate independent hysteresis

    Brokate, M.

    2012-05-01

    The paper is devoted to the numerical simulation of a multiphase flow in porous medium with a hysteretic relation between the capillary pressures and the saturations of the phases. The flow model we use is based on Darcys law. The hysteretic relation between the capillary pressures and the saturations is described by a play-type hysteresis operator. We propose a numerical algorithm for treating the arising system of equations, discuss finite element schemes and present simulation results for the case of two phases. © 2011 Elsevier B.V. All rights reserved.

  9. Molecular simulation of capillary phase transitions in flexible porous materials

    Shen, Vincent K.; Siderius, Daniel W.; Mahynski, Nathan A.

    2018-03-01

    We used flat-histogram sampling Monte Carlo to study capillary phase transitions in deformable adsorbent materials. Specifically, we considered a pure adsorbate fluid below its bulk critical temperature within a slit pore of variable pore width. The instantaneous pore width is dictated by a number of factors, such as adsorbate loading, reservoir pressure, fluid-wall interaction, and bare adsorbent properties. In the slit pores studied here, the bare adsorbent free energy was assumed to be biparabolic, consisting of two preferential pore configurations, namely, the narrow pore and the large pore configurations. Four distinct phases could be found in the adsorption isotherms. We found a low-pressure phase transition, driven primarily by capillary condensation/evaporation and accompanied by adsorbent deformation in response. The deformation can be a relatively small contraction/expansion as seen in elastic materials, or a large-scale structural transformation of the adsorbent. We also found a high-pressure transition driven by excluded volume effects, which tends to expand the material and thus results in a large-scale structural transformation of the adsorbent. The adsorption isotherms and osmotic free energies can be rationalized by considering the relative free energy differences between the basins of the bare adsorbent free energy.

  10. Porous γ-TiAl Structures Fabricated by Electron Beam Melting Process

    Ashfaq Mohammad

    2016-01-01

    Full Text Available Porous metal structures have many benefits over fully dense structures for use in bio-implants. The designs of porous structures can be made more sophisticated by altering their pore volume and strut orientation. Porous structures made from biocompatible materials such as titanium and its alloys can be produced using electron-beam melting, and recent reports have shown the biocompatibility of titanium aluminide (γ-TiAl. In the present work, we produced porous γ-TiAl structures by electron-beam melting, incorporating varying pore volumes. To achieve this, the individual pore dimensions were kept constant, and only the strut thickness was altered. Thus, for the highest pore volume of ~77%, the struts had to be as thin as half a millimeter. To accomplish such fine struts, we used various beam currents and scan strategies. Microscopy showed that selecting a proper scan strategy was most important in producing these fine struts. Microcomputed tomography revealed no major gaps in the struts, and the fine struts displayed compressive stiffness similar to that of natural bone. The characteristics of these highly-porous structures suggest their promise for use in bio-implants.

  11. Microstructure and mechanical properties of porous titanium structures fabricated by electron beam melting for cranial implants.

    Moiduddin, Khaja

    2018-02-01

    The traditional methods of metallic bone implants are often dense and suffer from adverse reactions, biomechanical mismatch and lack of adequate space for new bone tissue to grow into the implant. The objective of this study is to evaluate the customized porous cranial implant with mechanical properties closer to that of bone and to improve the aesthetic outcome in cranial surgery with precision fitting for a better quality of life. Two custom cranial implants (bulk and porous) are digitally designed based on the Digital Imaging and Communications in Medicine files and fabricated using additive manufacturing. Initially, the defective skull model and the implant were fabricated using fused deposition modeling for the purpose of dimensional validation. Subsequently, the implant was fabricated using titanium alloy (Ti6Al4V extra low interstitial) by electron beam melting technology. The electron beam melting-produced body diagonal node structure incorporated in cranial implant was evaluated based on its mechanical strength and structural characterization. The results show that the electron beam melting-produced porous cranial implants provide the necessary framework for the bone cells to grow into the pores and mimic the architecture and mechanical properties closer to the region of implantation. Scanning electron microscope and micro-computed tomography scanning confirm that the produced porous implants have a highly regular pattern of porous structure with a fully interconnected network channel without any internal defect and voids. The physical properties of the titanium porous structure, containing the compressive strength of 61.5 MPa and modulus of elasticity being 1.20 GPa, represent a promising means of reducing stiffness and stress-shielding effect on the surrounding bone. This study reveals that the use of porous structure in cranial reconstruction satisfies the need of lighter implants with an adequate mechanical strength and structural characteristics

  12. Processing and structural characterization of porous reforming catalytic films

    Hou Xianghui; Williams, Jey; Choy, Kwang-Leong

    2006-01-01

    Nickel-based catalysts are often used to reform methanol into hydrogen. The preparation and installation of these catalysts are costly and laborious. As an alternative, directly applying catalytic films onto the separator components can improve the manufacturing efficiency. This paper reports the successful deposition of adherent porous NiO-Al 2 O 3 -based catalytic films with well-controlled stoichiometry, using a single-step Aerosol Assisted Chemical Vapour Deposition (AACVD) method. The microstructure, composition and crystalline phase of the as-deposited catalytic films are characterized using a combination of X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared (FTIR) Spectrometer. The results have demonstrated the capability of AACVD to produce porous NiO-Al 2 O 3 -based catalytic films

  13. Modeling, Simulation, Additive Manufacturing, and Experimental Evaluation of Solid and Porous NiTi

    Taheri Andani, Mohsen

    transformation temperatures of the manufactured parts. To this end both phase transformation and mechanical behavior of the AM parts are studied. Moreover, the application of additive manufacturing to develop NiTi components with desired stiffness by introducing engineered porosity is studied. To this end, a unit cell made of two interconnecting struts is used to generate the CAD files for a series of porous structures with six different levels of porosity in the range of 20% to 82%. Finite element analyses are conducted to examine the stress-strain behavior of the fabricated structures under loading. To validate the simulations, uniaxial compression tests are performed on three NiTi samples with three different levels of porosity (32%, 45%, and 58%). The experimental data closely match with the analytical results. The findings of this study indicate that introducing porosity to a NiTi structure results in a significant drop in the stiffness of the component. These results pave the way for designing porous NiTi structures with the desired level of stiffness.

  14. Soft photo structuring of porous silicon in water

    Juan, M.; Bouillard, J.S.; Plain, J.; Bachelot, R.; Adam, P.M.; Lerondel, G.; Royer, P. [ICD - Laboratoire de Nanotechnologie et d' Instrumentation Optique, CNRS FRE 2848, Universite de Technologie de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes (France)

    2007-05-15

    We report on local photo-induced patterning of porous silicon in water. Scanning probe microscopy images of the sample surface after illumination show that the emission properties as well as the topography are modified according to the interferometric illumination pattern. Local photo-oxidation is believed to be at the origin of these modifications. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Numerical simulation of single-phase and multiphase non-Darcy flowin porous and fractured reservoirs

    Wu, Yu-Shu

    2000-06-02

    A numerical method as well as a theoretical study of non-Darcy fluid flow of through porous and fractured reservoirs is described. The non-Darcy flow is handled in a three-dimensional, multiphase flow reservoir simulator, while the model formulation incorporates the Forchheimer equation for describing single-phase or multiphase non-Darcy flow and displacement. The numerical scheme has been verified by comparing its results against those of analytical methods. Numerical solutions are used to obtain some insight into the physics of non-Darcy flow and displacement in reservoirs. In addition, several type curves are provided for well-test analyses of non-Darcy flow to demonstrate a methodology for modeling this type of flow in porous and fractured rocks, including flow in geothermal reservoirs.

  16. Structure Optimization of Porous Dental Implant Based on 3D Printing

    Ji, Fangqiu; Zhang, Chunyu; Chen, Xianshuai

    2018-03-01

    In this paper, selective laser melting (SLM) technology is used to process complex structures. In combination with the theory of biomedicine, a porous implant with a porous structure is designed to induce bone cell growth. The mechanical strength advantage of SLM was discussed by observing the metallographic structure of SLM specimen with mechanical microscope and mechanical tensile test. The osseointegration of porous implants was observed and analyzed by biological experiments. By establishing a mechanical model, the mechanical properties of the bone implant combined with the jaw bone were studied by the simple mechanical analysis under static multi loading and the finite element mechanical analysis. According to the experimental observation and mechanical research, the optimization suggestions for the structure design of the implant made by SLM technology were put forward.

  17. Structural simulation of natural zeolites

    Sanchez P, E.; Carrera G, L.M.

    1997-01-01

    The application of X-ray diffraction (XRD) in the study of crystalline structures of the natural and modified zeolites allows the identification, lattice parameter determination and the crystallinity grade of the sample of interest. Until two decades ago, simulation methods of X-ray diffraction patterns were developed with which was possible to do reliable determinations of their crystalline structure. In this work it is presented the first stage of the crystalline structure simulation of zeolitic material from Etla, Oaxaca which has been studied for using it in the steam production industry and purification of industrial water. So that the natural material was modified for increasing its sodium contents and this material in its turn was put in contact with aqueous solutions of Na, Mg and Ca carbonates. All the simulations were done with the Lazy-Pulverix method. The considered phase was clinoptilolite. It was done the comparison with three clinoptilolite reported in the literature. (Author)

  18. Sound transmission through stiffened double-panel structures lined with elastic porous materials

    Mathur, Gopal P.; Tran, Boi N.; Bolton, J. S.; Shiau, Nae-Ming

    This paper presents transmission loss prediction models for a periodically stiffened panel and stiffened double-panel structures using the periodic structure theory. The inter-panel cavity in the double-panels structures can be modeled as being separated by an airspace or filled with an elastic porous layer in various configurations. The acoustic behavior of elastic porous layer is described by a theory capable of accounting fully for multi-dimensional wave propagation in such materials. The predicted transmission loss of a single stiffened panel is compared with the measured data.

  19. Simulation of FIB-SEM images for analysis of porous microstructures.

    Prill, Torben; Schladitz, Katja

    2013-01-01

    Focused ion beam nanotomography-scanning electron microscopy tomography yields high-quality three-dimensional images of materials microstructures at the nanometer scale combining serial sectioning using a focused ion beam with SEM. However, FIB-SEM tomography of highly porous media leads to shine-through artifacts preventing automatic segmentation of the solid component. We simulate the SEM process in order to generate synthetic FIB-SEM image data for developing and validating segmentation methods. Monte-Carlo techniques yield accurate results, but are too slow for the simulation of FIB-SEM tomography requiring hundreds of SEM images for one dataset alone. Nevertheless, a quasi-analytic description of the specimen and various acceleration techniques, including a track compression algorithm and an acceleration for the simulation of secondary electrons, cut down the computing time by orders of magnitude, allowing for the first time to simulate FIB-SEM tomography. © Wiley Periodicals, Inc.

  20. Simulation of quasi-static hydraulic fracture propagation in porous media with XFEM

    Juan-Lien Ramirez, Alina; Neuweiler, Insa; Löhnert, Stefan

    2015-04-01

    Hydraulic fracturing is the injection of a fracking fluid at high pressures into the underground. Its goal is to create and expand fracture networks to increase the rock permeability. It is a technique used, for example, for oil and gas recovery and for geothermal energy extraction, since higher rock permeability improves production. Many physical processes take place when it comes to fracking; rock deformation, fluid flow within the fractures, as well as into and through the porous rock. All these processes are strongly coupled, what makes its numerical simulation rather challenging. We present a 2D numerical model that simulates the hydraulic propagation of an embedded fracture quasi-statically in a poroelastic, fully saturated material. Fluid flow within the porous rock is described by Darcy's law and the flow within the fracture is approximated by a parallel plate model. Additionally, the effect of leak-off is taken into consideration. The solid component of the porous medium is assumed to be linear elastic and the propagation criteria are given by the energy release rate and the stress intensity factors [1]. The used numerical method for the spatial discretization is the eXtended Finite Element Method (XFEM) [2]. It is based on the standard Finite Element Method, but introduces additional degrees of freedom and enrichment functions to describe discontinuities locally in a system. Through them the geometry of the discontinuity (e.g. a fracture) becomes independent of the mesh allowing it to move freely through the domain without a mesh-adapting step. With this numerical model we are able to simulate hydraulic fracture propagation with different initial fracture geometries and material parameters. Results from these simulations will also be presented. References [1] D. Gross and T. Seelig. Fracture Mechanics with an Introduction to Micromechanics. Springer, 2nd edition, (2011) [2] T. Belytschko and T. Black. Elastic crack growth in finite elements with minimal

  1. Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation

    Saad, Ahmed Mohamed

    2016-05-01

    In this study, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell-centered finite difference method with a non-uniform rectangular mesh were used to discretize the simulation domain and solve the governing equations. To speed up the MC simulations, we implemented a recently developed scheme that quickly generates MC Markov chains out of pre-computed ones, based on the reweighting and reconstruction algorithm. This method astonishingly reduces the required computational time by MC simulations from hours to seconds. In addition, the reweighting and reconstruction scheme, which was originally designed to work with the LJ potential model, is extended to work with a potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical ensemble and the Gibbs ensemble, respectively. Comparing the simulation results with the experimental data showed that the implemented model has an excellent fit outperforming the standard LJ model. To demonstrate the strength of the proposed coupling in terms of computational time efficiency and numerical accuracy in fluid properties, various numerical experiments covering different compressible single-phase flow scenarios were conducted. The novelty in the introduced scheme is in allowing an efficient coupling of the molecular scale and Darcy scale in reservoir simulators. This leads to an accurate description of the thermodynamic behavior of the simulated reservoir fluids; consequently enhancing the confidence in the flow predictions in porous media.

  2. Design and Structure-Function Characterization of 3D Printed Synthetic Porous Biomaterials for Tissue Engineering.

    Kelly, Cambre N; Miller, Andrew T; Hollister, Scott J; Guldberg, Robert E; Gall, Ken

    2018-04-01

    3D printing is now adopted for use in a variety of industries and functions. In biomedical engineering, 3D printing has prevailed over more traditional manufacturing methods in tissue engineering due to its high degree of control over both macro- and microarchitecture of porous tissue scaffolds. However, with the improved flexibility in design come new challenges in characterizing the structure-function relationships between various architectures and both mechanical and biological properties in an assortment of clinical applications. Presently, the field of tissue engineering lacks a comprehensive body of literature that is capable of drawing meaningful relationships between the designed structure and resulting function of 3D printed porous biomaterial scaffolds. This work first discusses the role of design on 3D printed porous scaffold function and then reviews characterization of these structure-function relationships for 3D printed synthetic metallic, polymeric, and ceramic biomaterials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Manufacturing a Porous Structure According to the Process Parameters of Functional 3D Porous Polymer Printing Technology Based on a Chemical Blowing Agent

    Yoo, C. J.; Shin, B. S.; Kang, B. S.; Yun, D. H.; You, D. B.; Hong, S. M.

    2017-09-01

    In this paper, we propose a new porous polymer printing technology based on CBA(chemical blowing agent), and describe the optimization process according to the process parameters. By mixing polypropylene (PP) and CBA, a hybrid CBA filament was manufactured; the diameter of the filament ranged between 1.60 mm and 1.75 mm. A porous polymer structure was manufactured based on the traditional fused deposition modelling (FDM) method. The process parameters of the three-dimensional (3D) porous polymer printing (PPP) process included nozzle temperature, printing speed, and CBA density. Porosity increase with an increase in nozzle temperature and CBA density. On the contrary, porosity increase with a decrease in the printing speed. For porous structures, it has excellent mechanical properties. We manufactured a simple shape in 3D using 3D PPP technology. In the future, we will study the excellent mechanical properties of 3D PPP technology and apply them to various safety fields.

  4. Numerical simulation of pollutant transport in fractured vuggy porous karstic aquifers

    Sun, S.

    2011-01-01

    This paper begins with presenting a mathematical model for contaminant transport in the fractured vuggy porous media of a species of contaminant (PCP). Two phases are numerically simulated for a process of contaminant and clean water infiltrated in the fractured vuggy porous media by coupling mixed finite element (MFE) method and finite volume method (FVM), both of which are locally conservative, to approximate the model. A hybrid mixed finite element (HMFE) method is applied to approximate the velocity field for the model. The convection and diffusion terms are approached by FVM and the standard MFE, respectively. The pressure distribution and temporary evolution of the concentration profiles are obtained for two phases. The average effluent concentration on the outflow boundary is obtained at different time and shows some different features from the matrix porous media. The temporal multiscale phenomena of the effluent concentration on the outlet are observed. The results show how the different distribution of the vugs and the fractures impacts on the contaminant transport and the effluent concentration on the outlet. This paper sheds light on certain features of karstic groundwater are obtained.

  5. Numerical Simulation of Pollutant Transport in Fractured Vuggy Porous Karstic Aquifers

    Xiaolin Fan

    2011-01-01

    Full Text Available This paper begins with presenting a mathematical model for contaminant transport in the fractured vuggy porous media of a species of contaminant (PCP. Two phases are numerically simulated for a process of contaminant and clean water infiltrated in the fractured vuggy porous media by coupling mixed finite element (MFE method and finite volume method (FVM, both of which are locally conservative, to approximate the model. A hybrid mixed finite element (HMFE method is applied to approximate the velocity field for the model. The convection and diffusion terms are approached by FVM and the standard MFE, respectively. The pressure distribution and temporary evolution of the concentration profiles are obtained for two phases. The average effluent concentration on the outflow boundary is obtained at different time and shows some different features from the matrix porous media. The temporal multiscale phenomena of the effluent concentration on the outlet are observed. The results show how the different distribution of the vugs and the fractures impacts on the contaminant transport and the effluent concentration on the outlet. This paper sheds light on certain features of karstic groundwater are obtained.

  6. Unified pipe network method for simulation of water flow in fractured porous rock

    Ren, Feng; Ma, Guowei; Wang, Yang; Li, Tuo; Zhu, Hehua

    2017-04-01

    Rock masses are often conceptualized as dual-permeability media containing fractures or fracture networks with high permeability and porous matrix that is less permeable. In order to overcome the difficulties in simulating fluid flow in a highly discontinuous dual-permeability medium, an effective unified pipe network method is developed, which discretizes the dual-permeability rock mass into a virtual pipe network system. It includes fracture pipe networks and matrix pipe networks. They are constructed separately based on equivalent flow models in a representative area or volume by taking the advantage of the orthogonality of the mesh partition. Numerical examples of fluid flow in 2-D and 3-D domain including porous media and fractured porous media are presented to demonstrate the accuracy, robustness, and effectiveness of the proposed unified pipe network method. Results show that the developed method has good performance even with highly distorted mesh. Water recharge into the fractured rock mass with complex fracture network is studied. It has been found in this case that the effect of aperture change on the water recharge rate is more significant in the early stage compared to the fracture density change.

  7. Structural and optical properties of vapor-etched porous GaAs

    Smida, A.; Laatar, F. [Photovoltaic Laboratory, Centre for Research and Technology Energy, Tourist Route Soliman, BP 95, 2050 Hammam-Lif (Tunisia); Hassen, M., E-mail: mhdhassen@yahoo.fr [Photovoltaic Laboratory, Centre for Research and Technology Energy, Tourist Route Soliman, BP 95, 2050 Hammam-Lif (Tunisia); Higher Institute of Applied Science and Technology of Sousse, City Taffala (Ibn Khaldun), 4003 Sousse (Tunisia); Ezzaouia, H. [Photovoltaic Laboratory, Centre for Research and Technology Energy, Tourist Route Soliman, BP 95, 2050 Hammam-Lif (Tunisia)

    2016-08-15

    This paper consists to present first results concerning the structure of porous GaAs layer (por-GaAs-L) prepared by using HF/HNO{sub 3} as acidic solution in vapor etching (VE) method. In order to clarify this method, we detail here its principle and explain how por-GaAs-Ls are formed, taking into account the influencing of the exposure time of the GaAs substrate to the acid vapor. The etched GaAs layers have been investigated by UV–visible and PL analysis. One porous layer was performed to be characterised by Atomic Force Microscopy (AFM), FTIR spectroscopy, and X-Ray Diffraction (XRD). The porous structure was constituted by a nanocrystals with an average size about 6 nm. These nanocrystals were calculated from XRD peak using Scherrer's formula, AFM imaging, and also by using effective mass approximation model from effective band gap. - Highlights: • Porous GaAs layer was prepared by using Vapor etching (VE) method. • Effect of VE duration on the microstructural optical properties of the GaAs substrate • Porous structure of GaAs layer was demonstrated by using SEM and AFM microscopy.

  8. Structural and optical properties of vapor-etched porous GaAs

    Smida, A.; Laatar, F.; Hassen, M.; Ezzaouia, H.

    2016-01-01

    This paper consists to present first results concerning the structure of porous GaAs layer (por-GaAs-L) prepared by using HF/HNO 3 as acidic solution in vapor etching (VE) method. In order to clarify this method, we detail here its principle and explain how por-GaAs-Ls are formed, taking into account the influencing of the exposure time of the GaAs substrate to the acid vapor. The etched GaAs layers have been investigated by UV–visible and PL analysis. One porous layer was performed to be characterised by Atomic Force Microscopy (AFM), FTIR spectroscopy, and X-Ray Diffraction (XRD). The porous structure was constituted by a nanocrystals with an average size about 6 nm. These nanocrystals were calculated from XRD peak using Scherrer's formula, AFM imaging, and also by using effective mass approximation model from effective band gap. - Highlights: • Porous GaAs layer was prepared by using Vapor etching (VE) method. • Effect of VE duration on the microstructural optical properties of the GaAs substrate • Porous structure of GaAs layer was demonstrated by using SEM and AFM microscopy.

  9. Structural modification of silicon during the formation process of porous silicon

    Martin-Palma, R.J.; Pascual, L.; Landa-Canovas, A.R.; Herrero, P.; Martinez-Duart, J.M.

    2005-01-01

    Direct examination of porous silicon (PS) by the use of high resolution transmission electron microscopy (HRTEM) allowed us to perform a deep insight into the formation mechanisms of this material. In particular, the structure of the PS/Si interface and that of the silicon nanocrystals that compose porous silicon were analyzed in detail. Furthermore, image processing was used to study in detail the structure of PS. The mechanism of PS formation and lattice matching between the PS layer and the Si substrate is analyzed and discussed. Finally, a formation mechanism for PS based on the experimental observations is proposed

  10. Critical evaluation on structural stiffness of porous cellular structure of cobalt chromium alloy

    Abd Malek, N. M. S.; Mohamed, S. R.; Che Ghani, S. A.; Harun, W. S. Wan

    2015-12-01

    In order to improve the stiffness characteristics of orthopedic devices implants that mimic the mechanical behavior of bone need to be considered. With the capability of Additive layer manufacturing processes to produce orthopedic implants with tailored mechanical properties are needed. This paper discusses finite element (FE) analysis and mechanical characterization of porous medical grade cobalt chromium (CoCr) alloy in cubical structures with volume based porosity ranging between 60% to 80% produced using direct metal laser sintering (DMLS) process. ANSYS 14.0 FE modelling software was used to predict the effective elastic modulus of the samples and comparisons were made with the experimental data. The effective mechanical properties of porous samples that were determined by uniaxial compression testing show exponential decreasing trend with the increase in porosity. Finite element model shows good agreement with experimentally obtained stress-strain curve in the elastic regions. The models prove that numerical analysis of actual prosthesis implant can be computed particularly in load bearing condition

  11. Critical evaluation on structural stiffness of porous cellular structure of cobalt chromium alloy

    Abd Malek, N M S; Mohamed, S R; Che Ghani, S A; Wan Harun, W S

    2015-01-01

    In order to improve the stiffness characteristics of orthopedic devices implants that mimic the mechanical behavior of bone need to be considered. With the capability of Additive layer manufacturing processes to produce orthopedic implants with tailored mechanical properties are needed. This paper discusses finite element (FE) analysis and mechanical characterization of porous medical grade cobalt chromium (CoCr) alloy in cubical structures with volume based porosity ranging between 60% to 80% produced using direct metal laser sintering (DMLS) process. ANSYS 14.0 FE modelling software was used to predict the effective elastic modulus of the samples and comparisons were made with the experimental data. The effective mechanical properties of porous samples that were determined by uniaxial compression testing show exponential decreasing trend with the increase in porosity. Finite element model shows good agreement with experimentally obtained stress-strain curve in the elastic regions. The models prove that numerical analysis of actual prosthesis implant can be computed particularly in load bearing condition (paper)

  12. Self-diffusion in periodic porous media: a comparison of numerical simulation and eigenvalue methods.

    Schwartz, L M; Bergman, D J; Dunn, K J; Mitra, P P

    1996-01-01

    Random walk computer simulations are an important tool in understanding magnetic resonance measurements in porous media. In this paper we focus on the description of pulsed field gradient spin echo (PGSE) experiments that measure the probability, P(R,t), that a diffusing water molecule will travel a distance R in a time t. Because PGSE simulations are often limited by statistical considerations, we will see that valuable insight can be gained by working with simple periodic geometries and comparing simulation data to the results of exact eigenvalue expansions. In this connection, our attention will be focused on (1) the wavevector, k, and time dependent magnetization, M(k, t); and (2) the normalized probability, Ps(delta R, t), that a diffusing particle will return to within delta R of the origin after time t.

  13. ogs6 - a new concept for porous-fractured media simulations

    Naumov, Dmitri; Bilke, Lars; Fischer, Thomas; Rink, Karsten; Wang, Wenqing; Watanabe, Norihiro; Kolditz, Olaf

    2015-04-01

    OpenGeoSys (OGS) is a scientific open-source initiative for numerical simulation of thermo-hydro-mechanical/chemical (THMC) processes in porous and fractured media, continuously developed since the mid-eighties. The basic concept is to provide a flexible numerical framework for solving coupled multi-field problems. OGS is targeting mainly on applications in environmental geoscience, e.g. in the fields of contaminant hydrology, water resources management, waste deposits, or geothermal energy systems, but it has also been successfully applied to new topics in energy storage recently. OGS is actively participating several international benchmarking initiatives, e.g. DECOVALEX (waste management), CO2BENCH (CO2 storage and sequestration), SeSBENCH (reactive transport processes) and HM-Intercomp (coupled hydrosystems). Despite the broad applicability of OGS in geo-, hydro- and energy-sciences, several shortcomings became obvious concerning the computational efficiency as well as the code structure became too sophisticated for further efficient development. OGS-5 was designed for object-oriented FEM applications. However, in many multi-field problems a certain flexibility of tailored numerical schemes is essential. Therefore, a new concept was designed to overcome existing bottlenecks. The paradigms for ogs6 are: - Flexibility of numerical schemes (FEM#FVM#FDM), - Computational efficiency (PetaScale ready), - Developer- and user-friendly. ogs6 has a module-oriented architecture based on thematic libraries (e.g. MeshLib, NumLib) on the large scale and uses object-oriented approach for the small scale interfaces. Usage of a linear algebra library (Eigen3) for the mathematical operations together with the ISO C++11 standard increases the expressiveness of the code and makes it more developer-friendly. The new C++ standard also makes the template meta-programming technique code used for compile-time optimizations more compact. We have transitioned the main code development to

  14. Simulation of radionuclides migration in porous media through integral transform method

    Ostwald, P.N.; Cotta, R.M.

    1992-01-01

    An analytical solution is obtained for the transient one-dimensional convection-diffusion equation that governs the dispersion of radionuclides through planar porous media, by applying the generalized integral transform technique. The present simulation has direct application in the analysis of radioactive waste migration through the soil and engineering barriers, originated from leakages in waste repositories. Results for concentration distributions in a typical application (Cs 137 ) are critically compared to those from a purely numerical approach, available in a scientific subroutines library. Different runs for combinations of the governing parameters are then interpreted. (author)

  15. From micro-scale 3D simulations to macro-scale model of periodic porous media

    Crevacore, Eleonora; Tosco, Tiziana; Marchisio, Daniele; Sethi, Rajandrea; Messina, Francesca

    2015-04-01

    In environmental engineering, the transport of colloidal suspensions in porous media is studied to understand the fate of potentially harmful nano-particles and to design new remediation technologies. In this perspective, averaging techniques applied to micro-scale numerical simulations are a powerful tool to extrapolate accurate macro-scale models. Choosing two simplified packing configurations of soil grains and starting from a single elementary cell (module), it is possible to take advantage of the periodicity of the structures to reduce the computation costs of full 3D simulations. Steady-state flow simulations for incompressible fluid in laminar regime are implemented. Transport simulations are based on the pore-scale advection-diffusion equation, that can be enriched introducing also the Stokes velocity (to consider the gravity effect) and the interception mechanism. Simulations are carried on a domain composed of several elementary modules, that serve as control volumes in a finite volume method for the macro-scale method. The periodicity of the medium involves the periodicity of the flow field and this will be of great importance during the up-scaling procedure, allowing relevant simplifications. Micro-scale numerical data are treated in order to compute the mean concentration (volume and area averages) and fluxes on each module. The simulation results are used to compare the micro-scale averaged equation to the integral form of the macroscopic one, making a distinction between those terms that could be computed exactly and those for which a closure in needed. Of particular interest it is the investigation of the origin of macro-scale terms such as the dispersion and tortuosity, trying to describe them with micro-scale known quantities. Traditionally, to study the colloidal transport many simplifications are introduced, such those concerning ultra-simplified geometry that usually account for a single collector. Gradual removal of such hypothesis leads to a

  16. Prediction of the low-velocity distribution from the pore structure in simple porous media

    de Anna, Pietro; Quaife, Bryan; Biros, George; Juanes, Ruben

    2017-12-01

    The macroscopic properties of fluid flow and transport through porous media are a direct consequence of the underlying pore structure. However, precise relations that characterize flow and transport from the statistics of pore-scale disorder have remained elusive. Here we investigate the relationship between pore structure and the resulting fluid flow and asymptotic transport behavior in two-dimensional geometries of nonoverlapping circular posts. We derive an analytical relationship between the pore throat size distribution fλ˜λ-β and the distribution of the low fluid velocities fu˜u-β /2 , based on a conceptual model of porelets (the flow established within each pore throat, here a Hagen-Poiseuille flow). Our model allows us to make predictions, within a continuous-time random-walk framework, for the asymptotic statistics of the spreading of fluid particles along their own trajectories. These predictions are confirmed by high-fidelity simulations of Stokes flow and advective transport. The proposed framework can be extended to other configurations which can be represented as a collection of known flow distributions.

  17. Hybrid Simulation of Composite Structures

    Høgh, Jacob Herold

    experiment. The technique has primarily been used within earthquake engineering but many other fields of engineering have utilized the method with benefit. However, these previous efforts have focused on structures with a simple boundary between the numerical and physical substructure i.e. few degrees...... the transfer system and the control and monitoring techniques in the shared boundary is therefore a key issue in this type of hybrid simulation. During the research, hybrid simulation platforms have been programmed capable of running on different time scales with advanced control and monitoring techniques...

  18. Dynamic compressibility of air in porous structures at audible frequencies

    Lafarge, Denis; Lemarinier, Pavel; Allard, Jean F.

    1997-01-01

    Measurements of dynamic compressibility of air-filled porous sound-absorbing materials are compared with predictions involving two parametere, the static thermal permeability k'_0 and the thermal characteristic dimension GAMMA'. Emphasis on the notion of dynamic and static thermal permeability...... of the viscous forces. Using both parameters, a simple model is constructed for the dynamic thermal permeability k', which is completely analogous to the Johnson et al. [J. Fluid Mech. vol. 176, 379 (1987)] model of dynamic viscous permeability k. The resultant modeling of dynamic compressibility provides...... predictions which are closer to the experimental results than the previously used simpler model where the compressibility is the same as in identical circular cross-sectional shaped pores, or distributions of slits, related to a given GAMMA'....

  19. Formation of Porous Structure with Subspot Size under the Irradiation of Picosecond Laser Pulses

    Bin Liu

    2013-01-01

    Full Text Available A study was presented in this paper on porous structure with microsize holes significantly smaller than laser spot on the stainless steel 304 target surface induced by a picosecond Nd:van regenerative amplified laser, operating at 1064 nm. The target surface variations were studied in air ambience. The estimated surface damage threshold was 0.15 J/cm2. The target specific surface changes and phenomena observed supported a complementary study on the formation and growth of the subspot size pit holes on metal surface with dependence of laser pulse number of 50–1000 and fluences of 0.8 and 1.6 J/cm2. Two kinds of porous structures were presented: periodic holes are formed from Coulomb Explosion during locally spatial modulated ablation, and random holes are formed from the burst of bubbles in overheated liquid during phase explosion. It can be concluded that it is effective to fabricate a large metal surface area of porous structure by laser scanning regime. Generally, it is also difficult for ultrashort laser to fabricate the microporous structures compared with traditional methods. These porous structures potentially have a number of important applications in nanotechnology, industry, nuclear complex, and so forth.

  20. Boiling phenomenon and heat transfer in bead-packed porous structure

    Zhang Xiaojie; ZHu Yanlei; Bai Bofeng; Yan Xiao; Xiao Zejun

    2009-01-01

    A visual study on pool boiling behavior and phase distribution was conducted on the porous structures made of staggered glass beads at atmospheric pressure. The bead-packed structure was heated on the bottom. The investigations were carried out respectively at different glass bead diameters which were 4 mm, 6 mm and 8 mm. The results show that during subcooled boiling, small isolated bubbles are formed on the heated surface and combine into main-bubbles, the dispersion frequency of the main-bubbles is low and the small bubbles scatter in the bead-packed porous structures. At the initial stage of saturated boiling, the bubble growth rate, the volume of main-bubbles and the range of continuous vapor phase increase. The dispersion frequency of main-bubbles increases with the increasing of heat flux. During film boiling, the heated surface is absolutely covered with vapor film and the porous structure is full of liquid. The larger the diameter of beads is, the higher heat flux is needed for the same phenomenon, and the higher maximum value of heat transfer coefficient will be. During the whole saturated boiling, and the heat transfer enhanced firstly and then weakened. Being opposite to that of the diameters of 4 mm and 8 mm, the heat transfer coefficient in the 6 mm-bead-packed porous structure decreases with the increasing of the heat flux. (authors)

  1. Heat Removal from Bipolar Transistor by Loop Heat Pipe with Nickel and Copper Porous Structures

    Patrik Nemec

    2014-01-01

    Full Text Available Loop heat pipes (LHPs are used in many branches of industry, mainly for cooling of electrical elements and systems. The loop heat pipe is a vapour-liquid phase-change device that transfers heat from evaporator to condenser. One of the most important parts of the LHP is the porous wick structure. The wick structure provides capillary force to circulate the working fluid. To achieve good thermal performance of LHP, capillary wicks with high permeability and porosity and fine pore radius are expected. The aim of this work was to develop porous structures from copper and nickel powder with different grain sizes. For experiment copper powder with grain size of 50 and 100 μm and nickel powder with grain size of 10 and 25 μm were used. Analysis of these porous structures and LHP design are described in the paper. And the measurements’ influences of porous structures in LHP on heat removal from the insulated gate bipolar transistor (IGBT have been made.

  2. Heat Removal from Bipolar Transistor by Loop Heat Pipe with Nickel and Copper Porous Structures

    Smitka, Martin; Malcho, Milan

    2014-01-01

    Loop heat pipes (LHPs) are used in many branches of industry, mainly for cooling of electrical elements and systems. The loop heat pipe is a vapour-liquid phase-change device that transfers heat from evaporator to condenser. One of the most important parts of the LHP is the porous wick structure. The wick structure provides capillary force to circulate the working fluid. To achieve good thermal performance of LHP, capillary wicks with high permeability and porosity and fine pore radius are expected. The aim of this work was to develop porous structures from copper and nickel powder with different grain sizes. For experiment copper powder with grain size of 50 and 100 μm and nickel powder with grain size of 10 and 25 μm were used. Analysis of these porous structures and LHP design are described in the paper. And the measurements' influences of porous structures in LHP on heat removal from the insulated gate bipolar transistor (IGBT) have been made. PMID:24959622

  3. Simulating dispersion in porous media and the influence of segmentation on stagnancy in carbonates

    Gray, F.; Cen, J.; Shah, S. M.; Crawshaw, J. P.; Boek, E. S.

    2016-11-01

    Understanding the transport of chemical components in porous media is fundamentally important to many reservoir processes such as contaminant transport and reactive flows involved in CO2 sequestration. Carbonate rocks in particular present difficulties for pore-scale simulations because they contain large amounts of sub-micron porosity. In this work, we introduce a new hybrid simulation model to calculate hydrodynamic dispersion in pore-scale images of real porous media and use this to elucidate the origins and behaviour of stagnant zones arising in transport simulations using micro-CT images of carbonates. For this purpose a stochastic particle model for simulating the transport of a solute is coupled to a Lattice-Boltzmann algorithm to calculate the flow field. The particle method incorporates second order spatial and temporal resolution to resolve finer features of the domain. We demonstrate how dispersion coefficients can be accurately obtained in capillaries, where corresponding analytical solutions are available, even when these are resolved to just a few lattice units. Then we compute molecular displacement distributions for pore-spaces of varying complexity: a pack of beads; a Bentheimer sandstone; and a Portland carbonate. Our calculated propagator distributions are compared directly with recent experimental PFG-NMR propagator distributions (Scheven et al., 2005; Mitchell et al., 2008), the latter excluding spin relaxation mechanisms. We observe that the calculated transport propagators can be quantitatively compared with the experimental distribution, provided that spin relaxations in the experiment are excluded, and good agreement is found for both the sandstone and the carbonate. However, due to the absence of explicit micro-porosity from the carbonate pore space image used for flow field simulations we note that there are fundamental differences in the physical origins of the stagnant zones for micro-porous rocks between simulation and experiment. We

  4. Fluid flow simulation and permeability computation in deformed porous carbonate grainstones

    Zambrano, Miller; Tondi, Emanuele; Mancini, Lucia; Lanzafame, Gabriele; Trias, F. Xavier; Arzilli, Fabio; Materazzi, Marco; Torrieri, Stefano

    2018-05-01

    In deformed porous carbonates, the architecture of the pore network may be modified by deformation or diagenetic processes altering the permeability with respect to the pristine rock. The effects of the pore texture and morphology on permeability in porous rocks have been widely investigated due to the importance during the evaluation of geofluid reservoirs. In this study, these effects are assessed by combining synchrotron X-ray computed microtomography (SR micro-CT) and computational fluid dynamics. The studied samples pertain to deformed porous carbonate grainstones highly affected by deformation bands (DBs) exposed in Northwestern Sicily and Abruzzo regions, Italy. The high-resolution SR micro-CT images of the samples, acquired at the SYRMEP beamline of the Elettra - Sincrotrone Trieste laboratory (Italy), were used for simulating a pressure-driven flow by using the lattice-Boltzmann method (LBM). For the experiments, a multiple relaxation time (MRT) model with the D3Q19 scheme was used to avoid viscosity-dependent results of permeability. The permeability was calculated using Darcy's law once steady conditions were reached. After the simulations, the pore-network properties (effective porosity, specific surface area, and geometrical tortuosity) were calculated using 3D images of the velocity fields. These images were segmented considering a velocity threshold value higher than zero. The study showed that DBs may generate significant heterogeneity and anisotropy of the permeability of the evaluated rock samples. Cataclasis and cementation process taking place within the DBs reduce the effective porosity and therefore the permeability. Contrary to this, pressure dissolution and faulting may generate connected channels which contribute to the permeability only parallel to the DB.

  5. Electronic band structure in porous silicon studied by photoluminescence and photoluminescence excitation spectroscopy

    Lee, Ki-Won; Kim, Young-You

    2004-01-01

    In this research, we used photoluminescence (PL) and photoluminescence excitation (PLE) to visualize the electronic band structure in porous silicon (PS). From the combined results of the PLE measurements at various PL emission energies and the PL measurements under excitation at various PLE absorption energies, we infer that three different electronic band structures, originating from different luminescent origins, give rise to the PL spectrum. Through either thermal activation or diffusive transfer, excited carriers are moved to each of the electronic band structures.

  6. Pore to core scale simulation of the mass transfer with mineral reaction in porous media

    Bekri, S.; Renard, S.; Delprat-Jannaud, F.

    2015-01-01

    Pore Network Model (PNM) is used to simulate mass transfer with mineral reaction in a single phase flow through porous medium which is here a sandstone sample from the reservoir formation of the Pakoslaw gas field. The void space of the porous medium is represented by an idealized geometry of pore-bodies joined by pore-throats. Parameters defining the pore-bodies and the pore-throats distribution are determined by an optimization process aiming to match the experimental Mercury Intrusion Capillary Pressure (MICP) curve and petrophysical properties of the rock such as intrinsic permeability and formation factor. The generated network is used first to simulate the multiphase flow by solving Kirchhoff's laws. The capillary pressure and relative permeability curves are derived. Then, reactive transport is addressed under asymptotic regime where the solute concentration undergoes an exponential evolution with time. The porosity/ permeability relationship and the three phenomenological coefficients of transport, namely the solute velocity, the dispersion and the mean reaction rate are determined as functions of Peclet and Peclet-Damkohler dimensionless numbers. Finally, the role of the dimensionless numbers on the reactive flow properties is highlighted. (authors)

  7. Temperature induced development of porous structure of bituminous coal chars at high pressure

    Natalia Howaniec

    2016-01-01

    Full Text Available The porous structure of chars affects their reactivity in gasification, having an impact on the course and product distribution of the process. The shape, size and connections between pores determine the mechanical properties of chars, as well as heat and mass transport in thermochemical processing. In the study the combined effects of temperature in the range of 973–1273 °K and elevated pressure of 3 MPa on the development of porous structure of bituminous coal chars were investigated. Relatively low heating rate and long residence time characteristic for the in-situ coal conversion were applied. The increase in the temperature to 1173 °K under pressurized conditions resulted in the enhancement of porous structure development reflected in the values of the specific surface area, total pore volume, micropore area and volume, as well as ratio of the micropore volume to the total pore volume. These effects were attributed to the enhanced vaporization and devolatilization, as well as swelling behavior along the increase of temperature and under high pressure, followed by a collapse of pores over certain temperature value. This proves the strong dependence of the porous structure of chars not only on the pyrolysis process conditions but also on the physical and chemical properties of the parent fuel.

  8. Surface Roughness and Morphology Customization of Additive Manufactured Open Porous Ti6Al4V Structures

    Martine Wevers

    2013-10-01

    Full Text Available Additive manufacturing (AM is a production method that enables the building of porous structures with a controlled geometry. However, there is a limited control over the final surface of the product. Hence, complementary surface engineering strategies are needed. In this work, design of experiments (DoE was used to customize post AM surface treatment for 3D selective laser melted Ti6Al4V open porous structures for bone tissue engineering. A two-level three-factor full factorial design was employed to assess the individual and interactive effects of the surface treatment duration and the concentration of the chemical etching solution on the final surface roughness and beam thickness of the treated porous structures. It was observed that the concentration of the surface treatment solution was the most important factor influencing roughness reduction. The designed beam thickness decreased the effectiveness of the surface treatment. In this case study, the optimized processing conditions for AM production and the post-AM surface treatment were defined based on the DoE output and were validated experimentally. This allowed the production of customized 3D porous structures with controlled surface roughness and overall morphological properties, which can assist in more controlled evaluation of the effect of surface roughness on various functional properties.

  9. Flexible and elastic porous poly(trimethylene carbonate) structures for use in vascular tissue engineering

    Song, Y.; Kamphuis, Marloes; Zhang Zheng, Z.Z.; Zhang, Z.; Sterk, L.M.Th.; Vermes, I.; Poot, Andreas A.; Feijen, Jan; Grijpma, Dirk W.

    Biocompatible and elastic porous tubular structures based on poly(1,3-trimethylene carbonate), PTMC, were developed as scaffolds for tissue engineering of small-diameter blood vessels. High-molecular-weight PTMC (Mn = 4.37 × 105) was cross-linked by gamma-irradiation in an inert nitrogen atmosphere.

  10. Preparation of interconnected highly porous polymeric structures by a replication and freeze-drying process

    Hou, Q.; Grijpma, Dirk W.; Feijen, Jan

    2003-01-01

    Three-dimensional degradable porous polymeric structures with high porosities (93-98%) and well-interconnected pore networks have been prepared by freeze-drying polymer solutions in the presence of a leachable template followed by leaching of the template. Templates of the pore network were prepared

  11. Surface Roughness and Morphology Customization of Additive Manufactured Open Porous Ti6Al4V Structures.

    Pyka, Grzegorz; Kerckhofs, Greet; Papantoniou, Ioannis; Speirs, Mathew; Schrooten, Jan; Wevers, Martine

    2013-10-22

    Additive manufacturing (AM) is a production method that enables the building of porous structures with a controlled geometry. However, there is a limited control over the final surface of the product. Hence, complementary surface engineering strategies are needed. In this work, design of experiments (DoE) was used to customize post AM surface treatment for 3D selective laser melted Ti6Al4V open porous structures for bone tissue engineering. A two-level three-factor full factorial design was employed to assess the individual and interactive effects of the surface treatment duration and the concentration of the chemical etching solution on the final surface roughness and beam thickness of the treated porous structures. It was observed that the concentration of the surface treatment solution was the most important factor influencing roughness reduction. The designed beam thickness decreased the effectiveness of the surface treatment. In this case study, the optimized processing conditions for AM production and the post-AM surface treatment were defined based on the DoE output and were validated experimentally. This allowed the production of customized 3D porous structures with controlled surface roughness and overall morphological properties, which can assist in more controlled evaluation of the effect of surface roughness on various functional properties.

  12. PIV study of flow through porous structure using refractive index matching

    Häfeli, Richard; Altheimer, Marco; Butscher, Denis; Rudolf von Rohr, Philipp

    2014-05-01

    An aqueous solution of sodium iodide and zinc iodide is proposed as a fluid that matches the refractive index of a solid manufactured by rapid prototyping. This enabled optical measurements in single-phase flow through porous structures. Experiments were also done with an organic index-matching fluid (anisole) in porous structures of different dimensions. To compare experiments with different viscosities and dimensions, we employed Reynolds similarity to deduce the scaling laws. One of the target quantities of our investigation was the dissipation rate of turbulent kinetic energy. Different models for the dissipation rate estimation were evaluated by comparing isotropy ratios. As in many other studies also, our experiments were not capable of resolving the velocity field down to the Kolmogorov length scale, and therefore, the dissipation rate has to be considered as underestimated. This is visible in experiments of different relative resolutions. However, being near the Kolmogorov scale allows estimating a reproducible, yet underestimated spatial distribution of dissipation rate inside the porous structure. Based on these results, the model was used to estimate the turbulent diffusivity. Comparing it to the dispersion coefficient obtained in the same porous structure, we conclude that even at the turbulent diffusivity makes up only a small part of mass transfer in axial direction. The main part is therefore attributed to Taylor dispersion.

  13. Mimicking Bone Healing Process to Self Repair Concrete Structure Novel Approach Using Porous Network Concrete

    Sangadji, S.; Schlangen, H.E.J.G.

    2013-01-01

    To repair concrete cracks in difficult or dangerous conditions such as underground structures or hazardous liquid containers, self healing mechanism is a promising alternative method. This research aims to imitate the bone self healing process by putting porous concrete internally in the concrete

  14. Improved Modeling Approaches for Constrained Sintering of Bi-Layered Porous Structures

    Tadesse Molla, Tesfaye; Frandsen, Henrik Lund; Esposito, Vincenzo

    2012-01-01

    Shape instabilities during constrained sintering experiment of bi-layer porous and dense cerium gadolinium oxide (CGO) structures have been analyzed. An analytical and a numerical model based on the continuum theory of sintering has been implemented to describe the evolution of bow and densificat...

  15. Sintering of Multilayered Porous Structures: Part II – Experiments and Model Applications

    Ni, De Wei; Olevsky, Eugene; Esposito, Vincenzo

    2013-01-01

    Experimental analyses of shrinkage and distortion kinetics during sintering of bilayered porous and dense gadolinium-doped ceria Ce0.9Gd0.1O1.95d structures are carried out, and compared with the theoretical models developed in Part I of this work. A novel approach is developed for the determinat...

  16. Morphology and characterization of 3D micro-porous structured chitosan scaffolds for tissue engineering.

    Hsieh, Wen-Chuan; Chang, Chih-Pong; Lin, Shang-Ming

    2007-06-15

    This research studies the morphology and characterization of three-dimensional (3D) micro-porous structures produced from biodegradable chitosan for use as scaffolds for cells culture. The chitosan 3D micro-porous structures were produced by a simple liquid hardening method, which includes the processes of foaming by mechanical stirring without any chemical foaming agent added, and hardening by NaOH cross linking. The pore size and porosity were controlled with mechanical stirring strength. This study includes the morphology of chitosan scaffolds, the characterization of mechanical properties, water absorption properties and in vitro enzymatic degradation of the 3D micro-porous structures. The results show that chitosan 3D micro-porous structures were successfully produced. Better formation samples were obtained when chitosan concentration is at 1-3%, and concentration of NaOH is at 5%. Faster stirring rate would produce samples of smaller pore diameter, but when rotation speed reaches 4000 rpm and higher the changes in pore size is minimal. Water absorption would reduce along with the decrease of chitosan scaffolds' pore diameter. From stress-strain analysis, chitosan scaffolds' mechanical properties are improved when it has smaller pore diameter. From in vitro enzymatic degradation results, it shows that the disintegration rate of chitosan scaffolds would increase along with the processing time increase, but approaching equilibrium when the disintegration rate reaches about 20%.

  17. Upscaled Lattice Boltzmann Method for Simulations of Flows in Heterogeneous Porous Media

    Jun Li

    2017-01-01

    Full Text Available An upscaled Lattice Boltzmann Method (LBM for flow simulations in heterogeneous porous media at the Darcy scale is proposed in this paper. In the Darcy-scale simulations, the Shan-Chen force model is used to simplify the algorithm. The proposed upscaled LBM uses coarser grids to represent the average effects of the fine-grid simulations. In the upscaled LBM, each coarse grid represents a subdomain of the fine-grid discretization and the effective permeability with the reduced-order models is proposed as we coarsen the grid. The effective permeability is computed using solutions of local problems (e.g., by performing local LBM simulations on the fine grids using the original permeability distribution and used on the coarse grids in the upscaled simulations. The upscaled LBM that can reduce the computational cost of existing LBM and transfer the information between different scales is implemented. The results of coarse-grid, reduced-order, simulations agree very well with averaged results obtained using a fine grid.

  18. Upscaled Lattice Boltzmann Method for Simulations of Flows in Heterogeneous Porous Media

    Li, Jun

    2017-02-16

    An upscaled Lattice Boltzmann Method (LBM) for flow simulations in heterogeneous porous media at the Darcy scale is proposed in this paper. In the Darcy-scale simulations, the Shan-Chen force model is used to simplify the algorithm. The proposed upscaled LBM uses coarser grids to represent the average effects of the fine-grid simulations. In the upscaled LBM, each coarse grid represents a subdomain of the fine-grid discretization and the effective permeability with the reduced-order models is proposed as we coarsen the grid. The effective permeability is computed using solutions of local problems (e.g., by performing local LBM simulations on the fine grids using the original permeability distribution) and used on the coarse grids in the upscaled simulations. The upscaled LBM that can reduce the computational cost of existing LBM and transfer the information between different scales is implemented. The results of coarse-grid, reduced-order, simulations agree very well with averaged results obtained using a fine grid.

  19. Simulations of fluid flow through porous media based on cellular automata and non-linear dynamics

    Paulson, K V

    1992-05-15

    A study is being carried out to apply cellular automata and non-linear dynamics in the construction of efficient and accurate computer simulations of multiphase fluid flow through porous media, with the objective of application to reservoir modelling for hydrocarbon recovery. An algorithm based on Boolean operations has been developed which transforms a PC clone into a highly efficient vector processor capable of cellular automata simulation of single fluid flow through two-dimensional rock matrix models of varying porosities. Macroscopic flow patterns have been established through spatial and temporal averaging with no floating point operations. Permeabilities of the different models have been calculated. Hardware allows the algorithm to function on dual processors on a PC platform using a video recording and editing facility. Very encouraging results have been obtained. 4 figs.

  20. Comparative study of the biodegradability of porous silicon films in simulated body fluid.

    Peckham, J; Andrews, G T

    2015-01-01

    The biodegradability of oxidized microporous, mesoporous and macroporous silicon films in a simulated body fluid with ion concentrations similar to those found in human blood plasma were studied using gravimetry. Film dissolution rates were determined by periodically weighing the samples after removal from the fluid. The dissolution rates for microporous silicon were found to be higher than those for mesoporous silicon of comparable porosity. The dissolution rate of macroporous silicon was much lower than that for either microporous or mesoporous silicon. This is attributed to the fact that its specific surface area is much lower than that of microporous and mesoporous silicon. Using an equation adapted from [Surf. Sci. Lett. 306 (1994), L550-L554], the dissolution rate of porous silicon in simulated body fluid can be estimated if the film thickness and specific surface area are known.

  1. Pore structure, mechanical properties and polymer characteristics of porous materials impregnated with methylmethacrylate

    Hastrup, K.

    1976-05-01

    The pore structure of porous materials plays a decisive role with regard to many properties of the materials. One therefore expects property improvement due to impregnation to be mostly brought about as a result of pore structure modification. This supposition formed the basis for the project here presented, which had the main aim of investigating polymer impregnation in relation to pore structure. Objectives were: 1) to examine the pore structure of hardened cement paste, beech wood and porous glass before and after gas-phase impregnation with methyl-methacrylate monomer and in situ polymerization, 2) to investigate the influence of the pore structure on the molecular weight of the polymer, 3) to investigate the influence of the degree of pore filling on the elastic modulus, damping coefficient and bending strength. (author)

  2. Hierarchically Porous Carbon Materials for CO 2 Capture: The Role of Pore Structure

    Estevez, Luis [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States; Barpaga, Dushyant [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States; Zheng, Jian [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States; Sabale, Sandip [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States; Patel, Rajankumar L. [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States; Zhang, Ji-Guang [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States; McGrail, B. Peter [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States; Motkuri, Radha Kishan [Pacific Northwest National Laboratory, 902 Battelle Boulevard, Richland, Washington 99352, United States

    2018-01-17

    With advances in porous carbon synthesis techniques, hierarchically porous carbon (HPC) materials are being utilized as relatively new porous carbon sorbents for CO2 capture applications. These HPC materials were used as a platform to prepare samples with differing textural properties and morphologies to elucidate structure-property relationships. It was found that high microporous content, rather than overall surface area was of primary importance for predicting good CO2 capture performance. Two HPC materials were analyzed, each with near identical high surface area (~2700 m2/g) and colossally high pore volume (~10 cm3/g), but with different microporous content and pore size distributions, which led to dramatically different CO2 capture performance. Overall, large pore volumes obtained from distinct mesopores were found to significantly impact adsorption performance. From these results, an optimized HPC material was synthesized that achieved a high CO2 capacity of ~3.7 mmol/g at 25°C and 1 bar.

  3. Functional Biomass Carbons with Hierarchical Porous Structure for Supercapacitor Electrode Materials

    Chen, Hao; Liu, Duo; Shen, Zhehong; Bao, Binfu; Zhao, Shuyan; Wu, Limin

    2015-01-01

    Highlights: • We successfully prepared bamboo-derived porous carbon with B and N co-doping. • This novel carbon exhibits significantly enhanced specific capacitance and energy density. • The highest specific capacitance exceeds those of most similar carbon materials. • Asymmetric supercapacitor based on this carbon shows satisfactory capacitive performance. - Abstract: This paper presents nitrogen and boron co-doped KOH-activated bamboo-derived carbon as a porous biomass carbon with utility as a supercapacitor electrode material. Owing to the high electrochemical activity promoted by the hierarchical porous structure and further endowed by boron and nitrogen co-doping, electrodes based on the as-obtained material exhibit significantly enhanced specific capacitance and energy density relative to those based on most similar materials. An asymmetric supercapacitor based on this novel carbon material demonstrated satisfactory energy density and electrochemical cycling stability.

  4. Smart release of doxorubicin loaded on polyetheretherketone (PEEK) surface with 3D porous structure.

    Ouyang, Liping; Sun, Zhenjie; Wang, Donghui; Qiao, Yuqin; Zhu, Hongqin; Ma, Xiaohan; Liu, Xuanyong

    2018-03-01

    It is important to fabricate an implant possessing environment sensitive drug delivery. In this work, the construction of 3D porous structure on polyetheretherketone (PEEK) surface and pH sensitive polymer, chitosan, was introduced. The smart release of doxorubicin can be realized on the 3D porous surface of PEEK loading chitosan. We give a feasible explanation for the effect of chitosan on smart drug release according to Henderson-Hasselbalch equation. Furthermore, the intracellular drug content of the cell cultured on the samples with highest chitosan is significantly higher at pH 4.0, whereas lower at pH 7.4 than other samples. The smart release of doxorubicin via modification with chitosan onto 3D porous PEEK surface paves the way for the application of PEEK in drug loading platform for recovering bone defect caused by malignant bone tumor. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Discretization limits of multi-component lattice-Boltzmann methods and implications on the real porous media simulations

    Herring, A. L.; Li, Z.; Middleton, J.; Varslot, T.; McClure, J. E.; Sheppard, A.

    2017-12-01

    Multicomponent lattice-Boltzmann (LB) modeling is widely applied to study two-phase flow in various porous media. However, the impact on LB modeling of the fundamental trade-off between image resolution and field of view has received relatively little attention. This is important since 3D images of geological samples rarely have both sufficient resolution to capture fine structure and sufficient field of view to capture a full representative elementary volume of the medium. To optimize the simulations, it is important to know the minimum number of grid points that LB methods require to deliver physically meaningful results, and allow for the sources of measurement uncertainty to be appropriately balanced. In this work, we study the behavior of the Shan-Chen (SC) and Rothman-Keller (RK) models when the phase interfacial radius of curvature and the feature size of the medium approach the discrete unit size of the computational grid. Both simple, small-scale test geometries and real porous media are considered. Models' behavior in the extreme discrete limit is classified ranging from gradual loss of accuracy to catastrophic numerical breakdown. Based on this study, we provide guidance for experimental data collection and how to apply the LBM to accurately resolve physics of interest for two-fluid flow in porous media. Resolution effects are particularly relevant to the study of low-porosity systems, including fractured materials, when the typical pore width may only be a few voxels across.Overall, we find that the shortcoming of the SC model predominantly arises from the strongly pressure-dependent miscibility of the fluid components, where small droplets with high interfacial curvature have an exaggerated tendency to dissolve into the surrounding fluid. For the RK model, the most significant shortcoming is unphysical flow of non-wetting phase through narrow channels and crevices (2 voxels across or smaller), which we observed both in simple capillary tube and

  6. Honeycomb structured porous interfaces as templates for protein adhesion

    Rodriguez-Hernandez, J; Munoz-Bonilla, A; Ibarboure, E; Bordege, V; Fernandez-Garcia, M, E-mail: jrodriguez@ictp.csic.es

    2010-11-01

    We prepared breath figure patterns decorated with a statistical glycopolymer, (styrene-co-2-{l_brace}[(D-glucosamin-2-N-yl)carbonyl]oxy{r_brace}ethyl methacrylate, S-HEMAGl). The preparation of the glycopolymer occurs in one single step by using styrene and S-HEMAGl. Blends of this copolymer and high molecular weight polystyrene were spin coated from THF solutions leading to the formation of surfaces with both controlled functionality and topography. AFM studies revealed that both the composition of the blend and the relative humidity play a key role on the size and distribution of the pores at the interface. The porous films shows the hydrophilic glycomonomer units are oriented towards the pore interface since upon soft annealing in water, the holes are partially swelled. The self-organization of the glycopolymer within the pores was additionally confirmed both by reaction of carbohydrate hydroxyl groups with rhodamine-isocyanate and by means of the lectin binding test using Concanavalin A (Con A).

  7. Porous Media and Immersed Boundary Hybrid-Modelling for Simulating Flow in Stone Cover-Layers

    Jensen, Bjarne; Liu, Xiaofeng; Christensen, Erik Damgaard

    In this paper we present a new numerical modelling approach for coastal and marine applications where a porous media conceptual model was combined with a free surface volume-of-fluid (VOF) model and an immersed boundary method (IBM). The immersed boundary model covers the method of describing....... In this paper, the model is applied to investigate two practical cases in terms of a cover layer of stones on a flat bed under oscillatory flow at different packing densities, and a rock toe structure at a breakwater....

  8. Light Modulation and Water Splitting Enhancement Using a Composite Porous GaN Structure.

    Yang, Chao; Xi, Xin; Yu, Zhiguo; Cao, Haicheng; Li, Jing; Lin, Shan; Ma, Zhanhong; Zhao, Lixia

    2018-02-14

    On the basis of the laterally porous GaN, we designed and fabricated a composite porous GaN structure with both well-ordered lateral and vertical holes. Compared to the plane GaN, the composite porous GaN structure with the combination of the vertical holes can help to reduce UV reflectance and increase the saturation photocurrent during water splitting by a factor of ∼4.5. Furthermore, we investigated the underlying mechanism for the enhancement of the water splitting performance using a finite-difference time-domain method. The results show that the well-ordered vertical holes can not only help to open the embedded pore channels to the electrolyte at both sides and reduce the migration distance of the gas bubbles during the water splitting reactions but also help to modulate the light field. Using this composite porous GaN structure, most of the incident light can be modulated and trapped into the nanoholes, and thus the electric fields localized in the lateral pores can increase dramatically as a result of the strong optical coupling. Our findings pave a new way to develop GaN photoelectrodes for highly efficient solar water splitting.

  9. Topological representation of the porous structure and its evolution of reservoir sandstone under excavation-induced loads

    Ju Yang

    2017-01-01

    Full Text Available The porous structure of a reservoir rock greatly influences its evolutive deformation and fracture behavior during excavation of natural resources reservoirs. Most numerical models for porous structures have been used to predict the quasi-static mechanical properties, but few are available to accurately characterize the evolution process of the porous structure and its influence on the macroscopic properties of reservoir rocks. This study reports a novel method to characterize the porous structure of sandstone using its topological parameters and to determine the laws that govern the evolutive deformation and failure of the topological structure under various uniaxial compressive loads. A numerical model of the porous sandstone was established based on the pore characteristics that were acquired using computed tomography imaging techniques. The analytical method that integrates the grassfire algorithm and the maximum inscribed sphere algorithm was proposed to create the 3-D topological model of the deformed porous structure, through which the topological parameters of the structure were measured and identified. The evolution processes of the porous structure under various loads were characterized using its equivalent topological model and parameters. This study opens a new way to characterize the dynamic evolution of the pore structure of reservoir sandstone under excavation disturbance.

  10. Microdroplet engineering for microbioassay and synthesis of functional structured porous particles

    Rastogi, Vinayak

    redistribution of magnetic nanoparticles in droplets containing mixtures of latex and magnetic particle suspensions. The redistribution is dictated by the pattern of magnetic field to which the droplet templates are introduced during drying. We developed new types of patchy magnetic particles that can find application in targeted drug delivery. The latex matrix can be infused with a drug and the magnetic patch(es) facilitate remote manipulation of the carrier. A new microfluidic chip was developed for the in-vitro characterization of drug/material release rate from the porous latex network in a live environment. The release rate of dye (drug simulant) from the porous supports is quantified and interpreted on the basis of diffusion/dissolution based mass transfer models. The technique has the potential to perform simultaneous screening of multiple samples and replace the conventional bulk laboratory setup needed for determining the release profiles in drug development process.

  11. Transport of Cryptosporidium parvum Oocysts in Charge Heterogeneous Porous Media: Microfluidics Experiment and Numerical Simulation

    Liu, Y.; Meng, X.; Guo, Z.; Zhang, C.; Nguyen, T. H.; Hu, D.; Ji, J.; Yang, X.

    2017-12-01

    Colloidal attachment on charge heterogeneous grains has significant environmental implications for transport of hazardous colloids, such as pathogens, in the aquifer, where iron, manganese, and aluminium oxide minerals are the major source of surface charge heterogeneity of the aquifer grains. A patchwise surface charge model is often used to describe the surface charge heterogeneity of the grains. In the patchwise model, the colloidal attachment efficiency is linearly correlated with the fraction of the favorable patches (θ=λ(θf - θu)+θu). However, our previous microfluidic study showed that the attachment efficiency of oocysts of Cryptosporidium parvum, a waterborne protozoan parasite, was not linear correlated with the fraction of the favorable patches (λ). In this study, we developed a pore scale model to simulate colloidal transport and attachment on charge heterogeneous grains. The flow field was simulated using the LBM method and colloidal transport and attachment were simulated using the Lagrange particle tracking method. The pore scale model was calibrated with experimental results of colloidal and oocyst transport in microfluidic devices and was then used to simulate oocyst transport in charge heterogeneous porous media under a variety of environmental relative conditions, i.e. the fraction of favorable patchwise, ionic strength, and pH. The results of the pore scale simulations were used to evaluate the effect of surface charge heterogeneity on upscaling of oocyst transport from pore to continuum scale and to develop an applicable correlation between colloidal attachment efficiency and the fraction of the favorable patches.

  12. VS2DRTI: Simulating Heat and Reactive Solute Transport in Variably Saturated Porous Media.

    Healy, Richard W; Haile, Sosina S; Parkhurst, David L; Charlton, Scott R

    2018-01-29

    Variably saturated groundwater flow, heat transport, and solute transport are important processes in environmental phenomena, such as the natural evolution of water chemistry of aquifers and streams, the storage of radioactive waste in a geologic repository, the contamination of water resources from acid-rock drainage, and the geologic sequestration of carbon dioxide. Up to now, our ability to simulate these processes simultaneously with fully coupled reactive transport models has been limited to complex and often difficult-to-use models. To address the need for a simple and easy-to-use model, the VS2DRTI software package has been developed for simulating water flow, heat transport, and reactive solute transport through variably saturated porous media. The underlying numerical model, VS2DRT, was created by coupling the flow and transport capabilities of the VS2DT and VS2DH models with the equilibrium and kinetic reaction capabilities of PhreeqcRM. Flow capabilities include two-dimensional, constant-density, variably saturated flow; transport capabilities include both heat and multicomponent solute transport; and the reaction capabilities are a complete implementation of geochemical reactions of PHREEQC. The graphical user interface includes a preprocessor for building simulations and a postprocessor for visual display of simulation results. To demonstrate the simulation of multiple processes, the model is applied to a hypothetical example of injection of heated waste water to an aquifer with temperature-dependent cation exchange. VS2DRTI is freely available public domain software. © 2018, National Ground Water Association.

  13. Numerical simulation on ferrofluid flow in fractured porous media based on discrete-fracture model

    Huang, Tao; Yao, Jun; Huang, Zhaoqin; Yin, Xiaolong; Xie, Haojun; Zhang, Jianguang

    2017-06-01

    Water flooding is an efficient approach to maintain reservoir pressure and has been widely used to enhance oil recovery. However, preferential water pathways such as fractures can significantly decrease the sweep efficiency. Therefore, the utilization ratio of injected water is seriously affected. How to develop new flooding technology to further improve the oil recovery in this situation is a pressing problem. For the past few years, controllable ferrofluid has caused the extensive concern in oil industry as a new functional material. In the presence of a gradient in the magnetic field strength, a magnetic body force is produced on the ferrofluid so that the attractive magnetic forces allow the ferrofluid to be manipulated to flow in any desired direction through the control of the external magnetic field. In view of these properties, the potential application of using the ferrofluid as a new kind of displacing fluid for flooding in fractured porous media is been studied in this paper for the first time. Considering the physical process of the mobilization of ferrofluid through porous media by arrangement of strong external magnetic fields, the magnetic body force was introduced into the Darcy equation and deals with fractures based on the discrete-fracture model. The fully implicit finite volume method is used to solve mathematical model and the validity and accuracy of numerical simulation, which is demonstrated through an experiment with ferrofluid flowing in a single fractured oil-saturated sand in a 2-D horizontal cell. At last, the water flooding and ferrofluid flooding in a complex fractured porous media have been studied. The results showed that the ferrofluid can be manipulated to flow in desired direction through control of the external magnetic field, so that using ferrofluid for flooding can raise the scope of the whole displacement. As a consequence, the oil recovery has been greatly improved in comparison to water flooding. Thus, the ferrofluid

  14. Applications of hierarchically structured porous materials from energy storage and conversion, catalysis, photocatalysis, adsorption, separation, and sensing to biomedicine.

    Sun, Ming-Hui; Huang, Shao-Zhuan; Chen, Li-Hua; Li, Yu; Yang, Xiao-Yu; Yuan, Zhong-Yong; Su, Bao-Lian

    2016-06-13

    Over the last decade, significant effort has been devoted to the applications of hierarchically structured porous materials owing to their outstanding properties such as high surface area, excellent accessibility to active sites, and enhanced mass transport and diffusion. The hierarchy of porosity, structural, morphological and component levels in these materials is key for their high performance in all kinds of applications. The introduction of hierarchical porosity into materials has led to a significant improvement in the performance of materials. Herein, recent progress in the applications of hierarchically structured porous materials from energy conversion and storage, catalysis, photocatalysis, adsorption, separation, and sensing to biomedicine is reviewed. Their potential future applications are also highlighted. We particularly dwell on the relationship between hierarchically porous structures and properties, with examples of each type of hierarchically structured porous material according to its chemical composition and physical characteristics. The present review aims to open up a new avenue to guide the readers to quickly obtain in-depth knowledge of applications of hierarchically porous materials and to have a good idea about selecting and designing suitable hierarchically porous materials for a specific application. In addition to focusing on the applications of hierarchically porous materials, this comprehensive review could stimulate researchers to synthesize new advanced hierarchically porous solids.

  15. Utilizing of inner porous structure in injection moulds for application of special cooling method

    Seidl, M; Bobek, J; Habr, J; Běhálek, L; Šafka, J; Nováková, I

    2016-01-01

    The article is focused on impact evaluation of controlled inner structure of production tools and new cooling method on regulation of thermal processes for injection moulding technology. The mould inserts with porous structure were cooled by means of liquid CO 2 which is very progressive cooling method and enables very fast and intensive heat transfer among the plastic product, the production tool and cooling medium. The inserts were created using rapid prototype technology (DLSM) and they had a bi-component structure consisting of thin compact surface layer and defined porous inner structure of open cell character where liquid CO 2 was flowing through. This analyse includes the evaluation of cooling efficiency for different inner structures and different time profiles for dosing of liquid CO 2 into the porous structure. The thermal processes were monitored using thermocouples and IR thermal analyse of product surface and experimental device. Intensive heat removal influenced also the final structure and the shape and dimensional accuracy of the moulded parts that were made of semi-crystalline polymer. The range of final impacts of using intensive cooling method on the plastic parts was defined by DSC and dimensional analyses. (paper)

  16. Sound Transmission Through Multi-Panel Structures Lined with Elastic Porous Materials

    Bolton, J. S.; Shiau, N.-M.; Kang, Y. J.

    1996-04-01

    Theory and measurements related to sound transmission through double panels lined with elastic porous media are presented. The information has application to the design of noise control barriers and to the optimization of aircraft fuselage transmission loss, for example. The major difference between the work described here and earlier research in this field relates to the treatment of the porous material that is used to line the cavity between the two panels of the double panel structure. Here we have used the porous material theory proposed by Biot since it takes explicit account of all the wave types known to propagate in elastic porous materials. As a result, it is possible to use the theory presented here to calculate the transmission loss of lined double panels at arbitrary angles of incidence; results calculated over a range of incidence angles may then be combined to yield the random incidence transmission loss. In this paper, the equations governing wave propagation in an elastic porous material are first considered briefly and then the general forms for the stresses and displacements within the porous material are given. Those solutions are expressed in terms of a number of constants that can be determined by application of appropriate boundary conditions. The boundary conditions required to model double panels having linings that are either directly attached to the facing panels or separated?!from them by air gaps are presented and discussed. Measurements of the random incidence transmission loss of aluminium double-panel structures lined with polyurethane foam are presented and have been found to be in good agreement with theoretical predictions. Both the theoretical predictions and the measured results have shown that the method by which an elastic porous lining material is attached to the facing panels can have a profound influence on the transmission loss of the panel system. It has been found, for example, that treatments in which the lining material

  17. Manipulation of fluids in three-dimensional porous photonic structures with patterned surface properties

    Aizenberg, Joanna; Burgess, Ian; Mishchenko, Lidiya; Hatton, Benjamin; Loncar, Marko

    2017-12-26

    A three-dimensional porous photonic structure, whose internal pore surfaces can be provided with desired surface properties in a spatially selective manner with arbitrary patterns, and methods for making the same are described. When exposed to a fluid (e.g., via immersion or wicking), the fluid can selectively penetrate the regions of the structure with compatible surface properties. Broad applications, for example in security, encryption and document authentication, as well as in areas such as simple microfluidics and diagnostics, are anticipated.

  18. Modeling and numerical simulation of multi-component flow in porous media

    Saad, B.

    2011-01-01

    This work deals with the modelization and numerical simulation of two phase multi-component flow in porous media. The study is divided into two parts. First we study and prove the mathematical existence in a weak sense of two degenerate parabolic systems modeling two phase (liquid and gas) two component (water and hydrogen) flow in porous media. In the first model, we assume that there is a local thermodynamic equilibrium between both phases of hydrogen by using the Henry's law. The second model consists of a relaxation of the previous model: the kinetic of the mass exchange between dissolved hydrogen and hydrogen in the gas phase is no longer instantaneous. The second part is devoted to the numerical analysis of those models. Firstly, we propose a numerical scheme to compare numerical solutions obtained with the first model and numerical solutions obtained with the second model where the characteristic time to recover the thermodynamic equilibrium goes to zero. Secondly, we present a finite volume scheme with a phase-by-phase upstream weighting scheme without simplified assumptions on the state law of gas densities. We also validate this scheme on a 2D test cases. (author)

  19. Molecular dynamics simulation about porous thin-film growth in secondary deposition

    Chen Huawei; Tieu, A. Kiet; Liu Qiang; Hagiwara, Ichiro; Lu Cheng

    2007-01-01

    The thin film growth has been confirmed to be assembled by an enormous number of clusters in experiments of CVD. Sequence of clusters' depositions proceeds to form the thin film at short time as gas fluids through surface of substrate. In order to grow condensed thin film using series of cluster deposition, the effect of initial velocity, substrate temperature and density of clusters on property of deposited thin film, especially appearance of nanoscale pores inside thin film must be investigated. In this simulation, three different cluster sizes of 203, 653, 1563 atoms with different velocities (0, 10, 100, 1000 and 3000 m/s) were deposited on a Cu(0 0 1) substrate whose temperatures were set between 300 and 1000 K. Four clusters and one cluster were used in primary deposition and secondary deposition, respectively. We have clarified that adhesion between clusters and substrate is greatly influenced by initial velocity. As a result, the exfoliation pattern of deposited thin film is dependent on initial velocity and different between them. One borderline dividing whole region into porous region and nonporous region are obtained to show the effect of growth conditions on appearance of nanoscale pores inside thin film. Moreover, we have also shown that the likelihood of porous thin film is dependent on the point of impact of a cluster relative to previously deposited clusters

  20. Molecular dynamics simulation about porous thin-film growth in secondary deposition

    Chen Huawei [School of Mechanical Engineering and Automation, Beihang University, No. 37 Xuyuan Road, Haidian District, Beijing (China) and Mechanical Materials and Mechatronic Engineering, University of Wollongong, Northfields Avenue, NSW 2522 (Australia)]. E-mail: chen_hua_wei@yahoo.com; Tieu, A. Kiet [Mechanical Materials and Mechatronic Engineering, University of Wollongong, Northfields Avenue, NSW 2522 (Australia); Liu Qiang [School of Mechanical Engineering and Automation, Beihang University, No. 37 Xuyuan Road, Haidian District, Beijing (China); Hagiwara, Ichiro [Department of Mechanical Sciences and Engineering, Graduate School of Science and Engineering, Tokyo Institute of Technology, 2-12-1 O-okayama, Meguro-ku, Tokyo (Japan); Lu Cheng [Mechanical Materials and Mechatronic Engineering, University of Wollongong, Northfields Avenue, NSW 2522 (Australia)

    2007-07-15

    The thin film growth has been confirmed to be assembled by an enormous number of clusters in experiments of CVD. Sequence of clusters' depositions proceeds to form the thin film at short time as gas fluids through surface of substrate. In order to grow condensed thin film using series of cluster deposition, the effect of initial velocity, substrate temperature and density of clusters on property of deposited thin film, especially appearance of nanoscale pores inside thin film must be investigated. In this simulation, three different cluster sizes of 203, 653, 1563 atoms with different velocities (0, 10, 100, 1000 and 3000 m/s) were deposited on a Cu(0 0 1) substrate whose temperatures were set between 300 and 1000 K. Four clusters and one cluster were used in primary deposition and secondary deposition, respectively. We have clarified that adhesion between clusters and substrate is greatly influenced by initial velocity. As a result, the exfoliation pattern of deposited thin film is dependent on initial velocity and different between them. One borderline dividing whole region into porous region and nonporous region are obtained to show the effect of growth conditions on appearance of nanoscale pores inside thin film. Moreover, we have also shown that the likelihood of porous thin film is dependent on the point of impact of a cluster relative to previously deposited clusters.

  1. NUMERICAL SIMULATION OF METAL MELT FLOWS IN MOLD CAVITY WITH CERAMIC POROUS MEDIA

    Changchun Dong

    2016-05-01

    Full Text Available Process modeling of metal melt flow in porous media plays an important role in casting of metal matrix composites. In this work, a mathematical model of the metal melt flow in preform ceramic particles was used to simulate the flow behavior in a mold cavity. The effects of fluid viscosity and permeability (mainly affected by porosity of ceramic preforms on the flow behavior were analyzed. The results indicate that ceramic porous media have a significant effect on the flow behavior by contributing to a low filling velocity and sharp pressure drop in the cavity. The pressure drop has a linear relationship with the fluid velocity, and a nonlinear relationship with porosity. When the porosity is relatively small, the pressure drop is extremely large. When porosity exceeds a certain value, the pressure drop is independent of porosity. The relationship between viscosity and porosity is described, and it is shown that the critical porosity changes when the viscosity of the melt changes. However, due to the limited viscosity change, the critical porosity changes by less than 0.043.

  2. Modelling and simulation of a natural convection flow in a saturated porous cavity

    Costa, M.L.M.; Sampaio, R.; Gama, R.M.S. da.

    1991-09-01

    The natural convection flow in a two-dimensional fluid-saturated porous cavity is modelled by means of a Theory of Mixtures viewpoint in which fluid and porous medium are regarded as continuous constituents of a binary mixture, coexisting superposed. A local description, that allows distinct temperature profiles for both fluid and solid constituents is obtained. The model, simplified by the Boussinesq approximation, is simulated with the help of the Control Volumes Method. The effect of some usual parameters like Rayleigh, Darcy and Prandtl numbers and of a new dimensionless number, relating coefficients associated to the heat exchange between fluid and solid constituents (due to its temperature difference) and coefficients of heat conduction for each constituent, is considered. Stream lines for the fluid constituent and isotherms for both fluid and solid constituents are presented for some cases. Qualitative agreement with results using the classical approach (Darcy's law and additional terms to account for boundary and inertia effects, used as momentum equation) was obtained. (author)

  3. Porous carbons

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    Abstract. 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 ...

  4. A novel approach for the fabrication of carbon nanofibre/ceramic porous structures

    Walter, Claudia

    2013-11-01

    This paper describes the fabrication of hybrid ceramic/carbon scaffolds in which carbon nanofibres and multi-walled carbon nanotubes fully cover the internal walls of a microporous ceramic structure that provides mechanical stability. Freeze casting is used to fabricate a porous, lamellar ceramic (Al2O3) structure with aligned pores whose width can be controlled between 10 and 90μm. Subsequently, a two step chemical vapour deposition process that uses iron as a catalyst is used to grow the carbon nanostructures inside the scaffold. This catalyst remains in the scaffold after the growth process. The formation of the alumina scaffold and the influence of its structure on the growth of nanofibres and tubes are investigated. A set of growth conditions is determined to produce a dense covering of the internal walls of the porous ceramic with the carbon nanostructures. The limiting pore size for this process is located around 25μm. © 2013 Elsevier Ltd.

  5. Systems and strippable coatings for decontaminating structures that include porous material

    Fox, Robert V [Idaho Falls, ID; Avci, Recep [Bozeman, MT; Groenewold, Gary S [Idaho Falls, ID

    2011-12-06

    Methods of removing contaminant matter from porous materials include applying a polymer material to a contaminated surface, irradiating the contaminated surface to cause redistribution of contaminant matter, and removing at least a portion of the polymer material from the surface. Systems for decontaminating a contaminated structure comprising porous material include a radiation device configured to emit electromagnetic radiation toward a surface of a structure, and at least one spray device configured to apply a capture material onto the surface of the structure. Polymer materials that can be used in such methods and systems include polyphosphazine-based polymer materials having polyphosphazine backbone segments and side chain groups that include selected functional groups. The selected functional groups may include iminos, oximes, carboxylates, sulfonates, .beta.-diketones, phosphine sulfides, phosphates, phosphites, phosphonates, phosphinates, phosphine oxides, monothio phosphinic acids, and dithio phosphinic acids.

  6. Synthesis of Porous and Mechanically Compliant Carbon Aerogels Using Conductive and Structural Additives

    Carlos Macias

    2016-01-01

    Full Text Available We report the synthesis of conductive and mechanically compliant monolithic carbon aerogels prepared by sol-gel polycondensation of melamine-resorcinol-formaldehyde (MRF mixtures by incorporating diatomite and carbon black additives. The resulting aerogels composites displayed a well-developed porous structure, confirming that the polymerization of the precursors is not impeded in the presence of either additive. The aerogels retained the porous structure after etching off the siliceous additive, indicating adequate cross-linking of the MRF reactants. However, the presence of diatomite caused a significant fall in the pore volumes, accompanied by coarsening of the average pore size (predominance of large mesopores and macropores. The diatomite also prevented structural shrinkage and deformation of the as-prepared monoliths upon densification by carbonization, even after removal of the siliceous framework. The rigid pristine aerogels became more flexible upon incorporation of the diatomite, favoring implementation of binderless monolithic aerogel electrodes.

  7. CTAB-Assisted Hydrothermal Synthesis of WO3 Hierarchical Porous Structures and Investigation of Their Sensing Properties

    Dan Meng

    2015-01-01

    Full Text Available WO3 hierarchical porous structures were successfully synthesized via cetyltrimethylammonium bromide- (CTAB- assisted hydrothermal method. The structure and morphology were investigated using scanning electron microscope, X-ray diffractometer, transmission electron microscopy, X-ray photoelectron spectra, Brunauer-Emmett-Teller nitrogen adsorption-desorption, and thermogravimetry and differential thermal analysis. The result demonstrated that WO3 hierarchical porous structures with an orthorhombic structure were constructed by a number of nanoparticles about 50–100 nm in diameters. The H2 gas sensing measurements showed that well-defined WO3 hierarchical porous structures with a large specific surface area exhibited the higher sensitivity compared with products without CTAB at all operating temperatures. Moreover, the reversible and fast response to H2 gas and good selectivity were obtained. The results indicated that the WO3 hierarchical porous structures are promising materials for gas sensors.

  8. Numerical simulation of a plate-fin heat exchanger with offset fins using porous media approach

    Juan, Du; Hai-Tao, Zhao

    2018-03-01

    In this paper, the study was focused on a double flow plate-fin heat exchanger (PFHE) whose heat transfer element was offset staggered fin. Numerical simulations have been carried out to investigate the thermodynamic characteristics of a full-size PFHE via the porous media approach. Based on the numerical model, the effects of the dynamic viscosity and the locations of the inlet and outlet tubes on flow distribution and pressure drop of the PFHE were studied. The results showed that flow distribution of the PFHE was improved by increasing the dynamic viscosity. Therefore, the relationship between flow distribution and pressure drop was analyzed under various inlet velocity, and a correlation among flow distribution, pressure drop, and Reynolds number was derived. Finally, the middle-based strategy was proposed and numerically verified to improve flow distribution of the PFHE.

  9. Simulating Engineering Flows through Complex Porous Media via the Lattice Boltzmann Method

    Vesselin Krassimirov Krastev

    2018-03-01

    Full Text Available In this paper, recent achievements in the application of the lattice Boltzmann method (LBM to complex fluid flows are reported. More specifically, we focus on flows through reactive porous media, such as the flow through the substrate of a selective catalytic reactor (SCR for the reduction of gaseous pollutants in the automotive field; pulsed-flow analysis through heterogeneous catalyst architectures; and transport and electro-chemical phenomena in microbial fuel cells (MFC for novel waste-to-energy applications. To the authors’ knowledge, this is the first known application of LBM modeling to the study of MFCs, which represents by itself a highly innovative and challenging research area. The results discussed here essentially confirm the capabilities of the LBM approach as a flexible and accurate computational tool for the simulation of complex multi-physics phenomena of scientific and technological interest, across physical scales.

  10. Hybrid Multiscale Finite Volume method for multiresolution simulations of flow and reactive transport in porous media

    Barajas-Solano, D. A.; Tartakovsky, A. M.

    2017-12-01

    We present a multiresolution method for the numerical simulation of flow and reactive transport in porous, heterogeneous media, based on the hybrid Multiscale Finite Volume (h-MsFV) algorithm. The h-MsFV algorithm allows us to couple high-resolution (fine scale) flow and transport models with lower resolution (coarse) models to locally refine both spatial resolution and transport models. The fine scale problem is decomposed into various "local'' problems solved independently in parallel and coordinated via a "global'' problem. This global problem is then coupled with the coarse model to strictly ensure domain-wide coarse-scale mass conservation. The proposed method provides an alternative to adaptive mesh refinement (AMR), due to its capacity to rapidly refine spatial resolution beyond what's possible with state-of-the-art AMR techniques, and the capability to locally swap transport models. We illustrate our method by applying it to groundwater flow and reactive transport of multiple species.

  11. Porous SiO_2 nanofiber grafted novel bioactive glass–ceramic coating: A structural scaffold for uniform apatite precipitation and oriented cell proliferation on inert implant

    Das, Indranee; De, Goutam; Hupa, Leena; Vallittu, Pekka K.

    2016-01-01

    A composite bioactive glass–ceramic coating grafted with porous silica nanofibers was fabricated on inert glass to provide a structural scaffold favoring uniform apatite precipitation and oriented cell proliferation. The coating surfaces were investigated thoroughly before and after immersion in simulated body fluid. In addition, the proliferation behavior of fibroblast cells on the surface was observed for several culture times. The nanofibrous exterior of this composite bioactive coating facilitated homogeneous growth of flake-like carbonated hydroxyapatite layer within a short period of immersion. Moreover, the embedded porous silica nanofibers enhanced hydrophilicity which is required for proper cell adhesion on the surface. The cells proliferated well following a particular orientation on the entire coating by the assistance of nanofibrous scaffold-like structural matrix. This newly engineered composite coating was effective in creating a biological structural matrix favorable for homogeneous precipitation of calcium phosphate, and organized cell growth on the inert glass surface. - Highlights: • Fabricated porous SiO_2 nanofibers grafted composite bioactive glass–ceramic coating on inert glass. • The newly engineered coating facilitates uniformly dense apatite precipitation. • Embedded porous silica nanofibers enhance hydrophilicity of the coated surface. • Cells proliferate well on the entire coating following a particular orientation by the assistance of nanofibers. • The coatings have potential to be used as biological scaffold on the surface of implants.

  12. Porous SiO{sub 2} nanofiber grafted novel bioactive glass–ceramic coating: A structural scaffold for uniform apatite precipitation and oriented cell proliferation on inert implant

    Das, Indranee [Nano-Structured Materials Division, CSIR-Central Glass and Ceramic Research Institute, Kolkata 700032 (India); De, Goutam, E-mail: gde@cgcri.res.in [Nano-Structured Materials Division, CSIR-Central Glass and Ceramic Research Institute, Kolkata 700032 (India); Hupa, Leena [Johan Gadolin Process Chemistry Centre, Åbo Akademi University, FI-20500 Åbo (Finland); Vallittu, Pekka K. [Turku Clinical Biomaterials Centre—TCBC, University of Turku, FI-20520 Turku (Finland); Institute of Dentistry, University of Turku, Department of Biomaterials Science and City of Turku, Welfare Division, Turku (Finland)

    2016-05-01

    A composite bioactive glass–ceramic coating grafted with porous silica nanofibers was fabricated on inert glass to provide a structural scaffold favoring uniform apatite precipitation and oriented cell proliferation. The coating surfaces were investigated thoroughly before and after immersion in simulated body fluid. In addition, the proliferation behavior of fibroblast cells on the surface was observed for several culture times. The nanofibrous exterior of this composite bioactive coating facilitated homogeneous growth of flake-like carbonated hydroxyapatite layer within a short period of immersion. Moreover, the embedded porous silica nanofibers enhanced hydrophilicity which is required for proper cell adhesion on the surface. The cells proliferated well following a particular orientation on the entire coating by the assistance of nanofibrous scaffold-like structural matrix. This newly engineered composite coating was effective in creating a biological structural matrix favorable for homogeneous precipitation of calcium phosphate, and organized cell growth on the inert glass surface. - Highlights: • Fabricated porous SiO{sub 2} nanofibers grafted composite bioactive glass–ceramic coating on inert glass. • The newly engineered coating facilitates uniformly dense apatite precipitation. • Embedded porous silica nanofibers enhance hydrophilicity of the coated surface. • Cells proliferate well on the entire coating following a particular orientation by the assistance of nanofibers. • The coatings have potential to be used as biological scaffold on the surface of implants.

  13. Laser beam melting 3D printing of Ti6Al4V based porous structured dental implants: fabrication, biocompatibility analysis and photoelastic study

    Yang, Fei; Chen, Chen; Zhou, Qianrong; Gong, Yiming; Li, Ruixue; Li, Chichi; Klämpfl, Florian; Freund, Sebastian; Wu, Xingwen; Sun, Yang; Li, Xiang; Schmidt, Michael; Ma, Duan; Yu, Youcheng

    2017-03-01

    Fabricating Ti alloy based dental implants with defined porous scaffold structure is a promising strategy for improving the osteoinduction of implants. In this study, we use Laser Beam Melting (LBM) 3D printing technique to fabricate porous Ti6Al4V dental implant prototypes with three controlled pore sizes (200, 350 and 500 μm). The mechanical stress distribution in the surrounding bone tissue is characterized by photoelastography and associated finite element simulation. For in-vitro studies, experiments on implants’ biocompatibility and osteogenic capability are conducted to evaluate the cellular response correlated to the porous structure. As the preliminary results, porous structured implants show a lower stress-shielding to the surrounding bone at the implant neck and a more densed distribution at the bottom site compared to the reference implant. From the cell proliferation tests and the immunofluorescence images, 350 and 500 μm pore sized implants demonstrate a better biocompatibility in terms of cell growth, migration and adhesion. Osteogenic genes expression of the 350 μm group is significantly increased alone with the ALP activity test. All these suggest that a pore size of 350 μm provides an optimal provides an optimal potential for improving the mechanical shielding to the surrounding bones and osteoinduction of the implant itself.

  14. Synthesis of dual porous structured germanium anodes with exceptional lithium-ion storage performance

    Kwon, Dohyoung; Ryu, Jaegeon; Shin, Myungsoo; Song, Gyujin; Hong, Dongki; Kim, Kwang S.; Park, Soojin

    2018-01-01

    Dual-porous Ge nanostructures are synthesized via two straightforward steps. Compared with conventional approaches related to porous Ge materials, different types of pores can be readily generated by adjusting the relative ratio of the precursor amounts for GeO2 and SiO2. Unlike using hard templates with different sizes for introducing secondary pores, this system makes a uniformly blended structure of porogen and active sites in the nanoscale range. When GeO2 is subjected to zincothermic reduction, it is selectively converted to pure Ge still connected to unreacted SiO2. During the reduction process, primary pores (larger than 50 nm) are formed by eliminating zinc oxide by-products, while inactive SiO2 with respect to zinc metal could contribute to retaining the overall structure. Finally, the HF treatment completely leaches remaining SiO2 and formed secondary pores (micro/mesopores) to complete the dual-porous Ge structure. The resulting Ge structure is tested as an anode material for lithium-ion batteries. The Ge electrode exhibits an outstanding reversibility and an exceptional cycling stability corresponding to a capacity retention of 100% after 100 cycles at C/5 and of 94.4% after 300 cycles at C/2. Furthermore, multi-scale pores facilitate a facile Li-ion accessibility, resulting in an excellent rate capability delivering ∼740 mAh g-1 at 5C.

  15. Pore structures and mechanical properties of porous titanium scaffolds by bidirectional freeze casting.

    Yan, Leiming; Wu, Jisi; Zhang, Lei; Liu, Xinli; Zhou, Kechao; Su, Bo

    2017-06-01

    Porous titanium scaffolds with long-range lamellar structure were fabricated using a novel bidirectional freeze casting method. Compared with the ordinarily porous titanium materials made by traditional freeze casting, the titanium walls can offer the structure of ordered arrays with parallel to each other in the transverse cross-sections. And titanium scaffolds with different pore width, wall size and porosity can be synthesized in terms of adjusting the fabrication parameters. As the titanium content was increased from 15vol.% to 25vol.%, the porosity and pore width decreased from 67±3% to 50±2% and 80±10μm to 67±7μm, respectively. On the contrary, as the wall size was increased from 18±2μm to 30±3μm, the compressive strength and stiffness were increased from 58±8MPa to 162±10MPa and from 2.5±0.7GPa to 6.5±0.9GPa, respectively. The porous titanium scaffolds with long-range lamellar structure and controllable pore structure produced in present work will be capable of having potential application as bone tissue scaffold materials. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. Robust hydrophobic polyurethane fibrous membranes with tunable porous structure for waterproof and breathable application

    Gu, Jiatai; Gu, Haihong; Cao, Jin; Chen, Shaojie; Li, Ni; Xiong, Jie

    2018-05-01

    In this work, novel nanofibrous membranes with waterproof and breathable (W&B) performance were successfully fabricated by the combination of electrospinning and surface modification technology. This fibrous membranes consisted of polyurethane (PU), NaCl, and fluoroalkylsilane (FAS). Firstly, The fibrous construction and porous structure of fibrous membranes were regulated by tuning the NaCl concentrations in PU solutions. Then, the obtained PU/NaCl fibrous membranes were further modified with fluoroalkylsilane (FAS) to improve hydrophobic property. The synergistic effect of porous structure and hydrophobicity on waterproof and breathable performance was investigated. Furthermore, the mechanical property of fibrous membranes was deeply analysed on the basis of macromolecule orientation and adhesive structure. Benefiting from the optimized porous structure and hydrophobic modification, the resultant fibrous membranes exhibited excellent waterproof (hydrostatic pressure of 1261 Mbar), breathable (water vapor transmission (WVT) rate of 9.06 kg m-2 d-1 and air permeability of 4.8 mm s-1) performance, as well as high tensile strength (breakage stress of 10.4 MPa), suggesting a promising candidate for various applications, especially in protective clothing.

  17. Manufacturing of metallic porous structures to be used in capillary pumping systems

    Eduardo Gonçalves Reimbrecht

    2003-12-01

    Full Text Available Sintered metallic porous structures have an application as capillary structures in two-phase heat transfer loops. In this work the manufacturing procedure of tubular porous structures for capillary pump application is discussed. The application of porous structures on capillary pumping systems requires porosity higher than 40% and pore size diameter lower than 20 µm. Carbonyl nickel powder with particle diameter between 3 and 7 µm and stainless steel AISI316L powder with particle diameter between 1 and 22 µm were used as raw material. Sintering under hydrogen atmosphere was performed both in a resistive furnace and in a plasma reactor. Temperature and time were the modified parameters to obtain suitable porosity and roundness on the samples. The porosity was measured using the Arquimedes Principle (MPIF-42, the roundness was evaluated using a simplified measurement technique of the sample diameter and the pore size distribution was determined by image analysis techniques. Images obtained by Scanning Electronic Microscopy were employed on the image analysis. The sintering parameters selected to manufacture nickel samples were 700 °C and 30 min resulting in a porosity of about 44%. The sintering parameters selected to manufacture stainless steel samples were 1000 °C and 30 min resulting in a porosity of about 40%.

  18. Structure and assembly of scalable porous protein cages

    Sasaki, Eita; Böhringer, Daniel; van de Waterbeemd, Michiel; Leibundgut, Marc; Zschoche, Reinhard; Heck, Albert J R; Ban, Nenad; Hilvert, Donald

    2017-01-01

    Proteins that self-assemble into regular shell-like polyhedra are useful, both in nature and in the laboratory, as molecular containers. Here we describe cryo-electron microscopy (EM) structures of two versatile encapsulation systems that exploit engineered electrostatic interactions for cargo

  19. Graphene/polyaniline composite sponge of three-dimensional porous network structure as supercapacitor electrode

    Jiang Jiu-Xing; Zhang Xu-Zhi; Wang Zhen-Hua; Xu Jian-Jun

    2016-01-01

    As a supercapacitor electrode, the graphene/polyaniline (PANI) composite sponge with a three-dimensional (3D) porous network structure is synthesized by a simple three-step method. The three steps include an in situ polymerization, freeze-drying and reduction by hydrazine vapor. The prepared sponge has a large specific surface area and porous network structure, so it is in favor of spreading the electrolyte ion and increasing the charge transfer efficiency of the system. The process of preparation is simple, easy to operate and low cost. The composite sponge shows better electrochemical performance than the pure individual graphene sponge while PANI cannot keep the shape of a sponge. Such a composite sponge exhibits specific capacitances of 487 F·g −1 at 2 mV/s compared to pristine PANI of 397 F·g −1 . (paper)

  20. Structural characteristics of porous hydroxyapatite coating on CaO-SiO{sub 2} system glass

    Zhang Hongquan; Yan Yuhua; Li Shipu [Wuhan Univ. of Technology (China). Biomedical and Engineering Research Center

    2001-07-01

    Hydroxyapatite(HA) coated CaO-SiO{sub 2} system glass composites were prepared successfully by the hydrothermal coating method at the temperature of 250 to 350 C and at pH of 7 to 9. The microstructure and phase composition were identified by XRD, FT-IR, SEM, EPMA and TEM. It is shown that HA coating possessed a porous gradient construction in the interface; HA coating and glass substrate were tightly bonded by an obvious transition. HA coating had a well-distributed porous construction on the surface layer. The interface structure, phase composition and the stability of HA coated glass composites were related with its forming process. These kinds of structure will benefit to the interface bonging strength and bone bonding strength. (orig.)

  1. Shape Memory Alloy Modeling and Applications to Porous and Composite Structures

    Zhu, Pingping

    underlying mechanism of pore interactions in the SMA foams. Additionally, the influence of geometric features including the number, size and locations of pores are studied to guide the design and optimization of porous SMAs. Thirdly, modeling and simulation are performed on a series of cracked self-healing SMA composite systems. These composites are to be applied in aeronautic structures where fatigue crack initiation and propagation is a significant safety and economic concern, based on a liquid-assisted SMA self-healing technology. We develop a modeling approach in Abaqus to create composite models with the as-is or pre-strained SMA wires. The modeling approach is validated by two simulation cases following the experiment setups. The amount of crack closure in the SMA-reinforced MMC is then focused, especially on the role of the SMA reinforcement, the softening property of the matrix, and the effect of pre-strain in the SMA. Composites with various geometric configurations of SMA are also created to study how the number, location, length and orientation of the SMA wires would affect the crack closure and self-healing behavior. These studies, from three aspects, provide deep insights to SMA and its related applications from the modeling and simulation point of view, which can further guide the development and application of this unique material.

  2. Method for Impeding Degradation of Porous Silicon Structures

    Vilentchouk, Biana Godin; Ferrari, Mauro

    2011-01-01

    This invention relates to surface modification of porosified silicon (pSi) structures with poly(alkylene) glycols for the purpose of controlled degradation of the silicon matrix and tailored release of encapsulated substances for biomedical applications. The pSi structures are currently used in diverse biomedical applications including bio-molecular screening, optical bio-sensoring, and drug delivery by means of injectable/orally administered carriers and implantable devices. The size of the pores and the surface chemistry of the pSi structure can be controlled during the microfabrication process and thereafter. A fine regulation of the degradation kinetics of mesoporous silicon structures is of fundamental importance. Polyethylene glycols (PEGs) represent the major category of surface modifying agents used in classical drug delivery systems and in pharmaceutical dosage forms. PEGylation enables avoidance of RES uptake, thus prolonging circulation time of intravenously injectable nanovectors. PEG molecules demonstrate little toxicity and immunogenicity, and are cleared from the body through the urine (molecular weight, MW less than 30 kDa) or in the feces (MW greater than 30kDa). The invention focuses on the possibility of finely tuning the degradation kinetics of the pSi nanovectors and other structures through surface conjugation of PEGs with various backbone lengths/MWs. To prove the concept, pSi nanovectors were covalently conjugated to seven PEGs with MW from 245 to 5,000 Da and their degradation kinetics in physiologically relevant media (phosphate buffer saline, PBS pH7.4, and fetal bovine serum) was assessed by the elemental analysis of the Si using inductive coupled plasma atomic emission spectroscopy (ICP-AES). The conjugation of the PEG with lowest MW to the nanovectors surface did not induce any change in the degradation kinetics in serum, but inhibited degradation and consequently the release of orthosilicic acid into buffer. When PEGs with the longer

  3. Deformation mechanisms of a porous structure of the poly(ethylene terephthalate) nuclear track membrane

    Ovchinnikov, V.V.

    1989-01-01

    The deformation mechanisms of a porous structure of the nuclear track membrane made of poly(ethylene terephthalate) are investigated in the temperature range from 333 to 473 K. It is shown that the pore size of the membrane can both decrease and increase. The analytical equation based on the Alfrey mechanical approach to the relaxation deformation of polymers describes the experimental data satisfactorily over the whole range of temperatures and pore radii of the membranes. 21 refs.; 5 figs.; 3 tabs

  4. Structural change of the porous sulfur cathode using gelatin as a binder during discharge and charge

    Wang You; Huang Yaqin; Wang Weikun; Huang Chongjun; Yu Zhongbao; Zhang, Hao; Sun Jing; Wang Anbang; Yuan Keguo

    2009-01-01

    The structural change of the porous sulfur cathode using gelatin as a binder was studied by means of scanning electron microscopy (SEM) and X-ray diffractometry (XRD). The original sulfur cathode exhibited a homogenous distribution of sulfur, carbon and pores. During the discharge process, the pores and elemental sulfur disappeared gradually. However, those changes were reversed and elemental sulfur was reformed after the charge process, which improved the electrochemical performance of lithium-sulfur batteries.

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

    Gosavi, S.R., E-mail: srgosavi.taloda@gmail.com [C. H. C. Arts, S. G. P. Commerce, and B. B. J. P. Science College, Taloda, Dist., Nandurbar 425413, M. S. (India); Nikam, C.P. [B.S.S.P.M.S. Arts, Commerce and Science College, Songir, Dist., Dhule 424309, M. S. (India); Shelke, A.R.; Patil, A.M. [Department of Physics, Shivaji University, Kolhapur 416004, M.S. (India); Ryu, S.-W. [Department of Physics, Chonnam National University, Gwangju 500-757 (Korea, Republic of); Bhat, J.S. [Department of Physics, Karnatak University, Dharwad 580003 (India); Deshpande, N.G., E-mail: nicedeshpande@yahoo.co.in [Department of Physics, Shivaji University, Kolhapur 416004, M.S. (India)

    2015-06-15

    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.

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

    Gosavi, S.R.; Nikam, C.P.; Shelke, A.R.; Patil, A.M.; Ryu, S.-W.; Bhat, J.S.; Deshpande, N.G.

    2015-01-01

    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

  7. A poly(vinyl alcohol)/sodium alginate blend monolith with nanoscale porous structure

    Sun, Xiaoxia; Uyama, Hiroshi

    2013-01-01

    A stimuli-responsive poly(vinyl alcohol) (PVA)/sodium alginate (SA) blend monolith with nanoscale porous (mesoporous) structure is successfully fabricated by thermally impacted non-solvent induced phase separation (TINIPS) method. The PVA/SA blend monolith with different SA contents is conveniently fabricated in an aqueous methanol without any templates. The solvent suitable for the fabrication of the present blend monolith by TINIPS is different with that of the PVA monolith. The nanostructu...

  8. Structure and assembly of scalable porous protein cages

    Sasaki, Eita; Böhringer, Daniel; van de Waterbeemd, Michiel; Leibundgut, Marc; Zschoche, Reinhard; Heck, Albert J. R.; Ban, Nenad; Hilvert, Donald

    2017-03-01

    Proteins that self-assemble into regular shell-like polyhedra are useful, both in nature and in the laboratory, as molecular containers. Here we describe cryo-electron microscopy (EM) structures of two versatile encapsulation systems that exploit engineered electrostatic interactions for cargo loading. We show that increasing the number of negative charges on the lumenal surface of lumazine synthase, a protein that naturally assembles into a ~1-MDa dodecahedron composed of 12 pentamers, induces stepwise expansion of the native protein shell, giving rise to thermostable ~3-MDa and ~6-MDa assemblies containing 180 and 360 subunits, respectively. Remarkably, these expanded particles assume unprecedented tetrahedrally and icosahedrally symmetric structures constructed entirely from pentameric units. Large keyhole-shaped pores in the shell, not present in the wild-type capsid, enable diffusion-limited encapsulation of complementarily charged guests. The structures of these supercharged assemblies demonstrate how programmed electrostatic effects can be effectively harnessed to tailor the architecture and properties of protein cages.

  9. Compressive and fatigue behavior of beta-type titanium porous structures fabricated by electron beam melting

    Liu, Y.J.; Wang, H.L.; Li, S.J.; Wang, S.G.; Wang, W.J.; Hou, W.T.; Hao, Y.L.; Yang, R.; Zhang, L.C.

    2017-01-01

    β-type titanium porous structure is a new class of solution for implant because it offers excellent combinations of high strength and low Young's modulus. This work investigated the influence of porosity variation in electron beam melting (EBM)-produced β-type Ti2448 alloy samples on the mechanical properties including super-elastic property, Young's modulus, compressive strength and fatigue properties. The relationship between the misorientation angle of adjacent grains and fatigue crack deflection behaviors was also observed. The super-elastic property is improved as the porosity of samples increases because of increasing tensile/compressive ratio. For the first time, the position of fatigue crack initiation is defined in stress-strain curves based on the variation of the fatigue cyclic loops. The unique manufacturing process of EBM results in the generation of different sizes of grains, and the apparent fatigue crack deflection occurs at the grain boundaries in the columnar grain zone due to substantial misorientation between adjacent grains. Compared with Ti-6Al-4V samples, the Ti2448 porous samples exhibit a higher normalized fatigue strength owing to super-elastic property, greater plastic zone ahead of the fatigue crack tip and the crack deflection behavior. - Highlights: • The super-elastic property is improved with increasing porosity of Ti2448 porous samples. • The position of fatigue crack initiation on the strain curve is defined. • The unique EBM-produced microstructure leads to apparent fatigue crack deflection occurring at columnar grain boundary. • Ti2448 porous samples display only half of the Young's modulus of Ti-6Al-4V porous samples at same fatigue strength level.

  10. Pool boiling with high heat flux enabled by a porous artery structure

    Bai, Lizhan; Zhang, Lianpei; Lin, Guiping; Peterson, G. P.

    2016-06-01

    A porous artery structure utilizing the concept of "phase separation and modulation" is proposed to enhance the critical heat flux of pool boiling. A series of experiments were conducted on a range of test articles in which multiple rectangular arteries were machined directly into the top surface of a 10.0 mm diameter copper rod. The arteries were then covered by a 2.0 mm thickness microporous copper plate through silver brazing. The pool wall was fabricated from transparent Pyrex glass to allow a visualization study, and water was used as the working fluid. Experimental results confirmed that the porous artery structure provided individual flow paths for the liquid supply and vapor venting, and avoided the detrimental effects of the liquid/vapor counter flow. As a result, a maximum heat flux of 610 W/cm2 over a heating area of 0.78 cm2 was achieved with no indication of dryout, prior to reaching the heater design temperature limit. Following the experimental tests, the mechanisms responsible for the boiling critical heat flux and performance enhancement of the porous artery structure were analyzed.

  11. Enhanced Transdermal Permeability via Constructing the Porous Structure of Poloxamer-Based Hydrogel

    Wen-Yi Wang

    2016-11-01

    Full Text Available A major concern for transdermal drug delivery systems is the low bioavailability of targeted drugs primarily caused by the skin’s barrier function. The resistance to the carrier matrix for the diffusion and transport of drugs, however, is routinely ignored. This study reports a promising and attractive approach to reducing the resistance to drug transport in the carrier matrix, to enhance drug permeability and bioavailability via enhanced concentration-gradient of the driving force for transdermal purposes. This approach simply optimizes and reconstructs the porous channel structure of the carrier matrix, namely, poloxamer 407 (P407-based hydrogel matrix blended with carboxymethyl cellulose sodium (CMCs. Addition of CMCs was found to distinctly improve the porous structure of the P407 matrix. The pore size approximated to normal distribution as CMCs were added and the fraction of pore number was increased by over tenfold. Transdermal studies showed that P407/CMCs saw a significant increase in drug permeability across the skin. This suggests that P407/CMC with improved porous structure exhibits a feasible and promising way for the development of transdermal therapy with high permeability and bioavailability, thereby avoiding or reducing use of any chemical enhancers.

  12. Effects of Artificial Ligaments with Different Porous Structures on the Migration of BMSCs

    Chun-Hui Wang

    2015-01-01

    Full Text Available Polyethylene terephthalate- (PET- based artificial ligaments (PET-ALs are commonly used in anterior cruciate ligament (ACL reconstruction surgery. The effects of different porous structures on the migration of bone marrow mesenchymal stem cells (BMSCs on artificial ligaments and the underlying mechanisms are unclear. In this study, a cell migration model was utilized to observe the migration of BMSCs on PET-ALs with different porous structures. A rabbit extra-articular graft-to-bone healing model was applied to investigate the in vivo effects of four types of PET-ALs, and a mechanical test and histological observation were performed at 4 weeks and 12 weeks. The BMSC migration area of the 5A group was significantly larger than that of the other three groups. The migration of BMSCs in the 5A group was abolished by blocking the RhoA/ROCK signaling pathway with Y27632. The in vivo study demonstrated that implantation of 5A significantly improved osseointegration. Our study explicitly demonstrates that the migration ability of BMSCs can be regulated by varying the porous structures of the artificial ligaments and suggests that this regulation is related to the RhoA/ROCK signaling pathway. Artificial ligaments prepared using a proper knitting method and line density may exhibit improved biocompatibility and clinical performance.

  13. A poly(vinyl alcohol)/sodium alginate blend monolith with nanoscale porous structure.

    Sun, Xiaoxia; Uyama, Hiroshi

    2013-10-04

    A stimuli-responsive poly(vinyl alcohol) (PVA)/sodium alginate (SA) blend monolith with nanoscale porous (mesoporous) structure is successfully fabricated by thermally impacted non-solvent induced phase separation (TINIPS) method. The PVA/SA blend monolith with different SA contents is conveniently fabricated in an aqueous methanol without any templates. The solvent suitable for the fabrication of the present blend monolith by TINIPS is different with that of the PVA monolith. The nanostructural control of the blend monolith is readily achieved by optimizing the fabrication conditions. Brunauer Emmett Teller measurement shows that the obtained blend monolith has a large surface area. Pore size distribution plot for the blend monolith obtained by the non-local density functional theory method reveals the existence of the nanoscale porous structure. Fourier transform infrared analysis reveals the strong interactions between PVA and SA. The pH-responsive property of the blend monolith is investigated on the basis of swelling ratio in different pH solutions. The present blend monolith of biocompatible and biodegradable PVA and SA with nanoscale porous structure has large potential for applications in biomedical and environmental fields.

  14. EXAFS study on dynamic structural property of porous morph-genetic SiC

    Ding, J.; Sun, B.H.; Fan, T.X.; Zhang, D.; Kamada, M.; Ogawa, H.; Guo, Q.X.

    2005-01-01

    Novel porous morph-genetic silicon carbide has been fabricated through sintering treatment, after infiltrating the methyl organic silicone resin to the bio-template. Its dynamic transition of structure during sintering process is investigated by extended X-ray absorption fine structure (EXAFS) for the first time. By analyzing Si K-edge EXAFS, it is found that the coordination number of the nearest C shell remains almost unchanged while that of the nearest Si shell dramatically changes when the structure is transformed from amorphous into crystalline state

  15. Transport of Chemotactic Bacteria in Porous Media with Structured Heterogeneity

    Ford, R. M.; Wang, M.; Liu, J.; Long, T.

    2008-12-01

    Chemical contaminants that become trapped in low permeability zones (e.g. clay lenses) are difficult to remediate using conventional pump-and-treat approaches. Chemotactic bacteria that are transported by groundwater through more permeable regions may migrate toward these less permeable zones in response to chemical gradients created by contaminant diffusion from the low permeability source, thereby enhancing the remediation process by directing bacteria to the contaminants they degrade. What effect does the heterogeneity associated with coarse- and fine-grained layers that are characteristic of natural groundwater environments have on the transport of microorganisms and their chemotactic response? To address this question experiments were conducted over a range of scales from a single capillary tube to a laboratory- scale column in both static and flowing systems with and without chemoattractant gradients. In static capillary assays, motile bacteria accumulated at the interface between an aqueous solution and a suspension of agarose particulates. In microfluidic devices with an array of staggered cylinders, chemotactic bacteria migrated transverse to flow in response to a chemoattractant gradient. In sand columns packed with a coarse-grained core and surrounded by a fine-grained annulus, chemotactic bacteria migrated preferentially toward a chemoattractant source along the centerline. Mathematical models and computer simulations were developed to analyze the experimental observations in terms of transport parameters from the advection- disperson-sorption equation.

  16. Synthesis of hierarchical porous materials with ZSM-5 structures via template-free sol–gel method

    Wei Han et al

    2007-01-01

    Full Text Available Interests are focused on preparation of hierarchical porous materials with zeolite structures by using soft or rigid templates in order to solve diffusion and mass transfer limitations resulting from the small pore sizes of zeolites. Here we develop a convenient template-free sol–gel method to synthesize hierarchical porous materials with ZSM-5 structures. This method involves hydrothermal recrystallization of the xerogel converted from uniform ZSM-5 sol by a vacuum drying process. By utilizing this method we can manipulate the size of zeolite nanocrystals as building units of porous structures based on controlling temperature of recrystallization, consequently obtain hierarchical porous materials with different intercrystalline pore sizes and ZSM-5 structures.

  17. Porous Foam Based Wick Structures for Loop Heat Pipes

    Silk, Eric A.

    2012-01-01

    As part of an effort to identify cost efficient fabrication techniques for Loop Heat Pipe (LHP) construction, NASA Goddard Space Flight Center's Cryogenics and Fluids Branch collaborated with the U.S. Naval Academy s Aerospace Engineering Department in Spring 2012 to investigate the viability of carbon foam as a wick material within LHPs. The carbon foam was manufactured by ERG Aerospace and machined to geometric specifications at the U.S. Naval Academy s Materials, Mechanics and Structures Machine Shop. NASA GSFC s Fractal Loop Heat Pipe (developed under SBIR contract #NAS5-02112) was used as the validation LHP platform. In a horizontal orientation, the FLHP system demonstrated a heat flux of 75 Watts per square centimeter with deionized water as the working fluid. Also, no failed start-ups occurred during the 6 week performance testing period. The success of this study validated that foam can be used as a wick structure. Furthermore, given the COTS status of foam materials this study is one more step towards development of a low cost LHP.

  18. Pore structure and mechanical properties of directionally solidified porous aluminum alloys

    Komissarchuk Olga

    2014-01-01

    Full Text Available Porous aluminum alloys produced by the metal-gas eutectic method or GASAR process need to be performed under a certain pressure of hydrogen, and to carry over melt to a tailor-made apparatus that ensures directional solidification. Hydrogen is driven out of the melt, and then the quasi-cylindrical pores normal to the solidification front are usually formed. In the research, the effects of processing parameters (saturation pressure, solidification pressure, temperature, and holding time on the pore structure and porosity of porous aluminum alloys were analyzed. The mechanical properties of Al-Mg alloys were studied by the compressive tests, and the advantages of the porous structure were indicated. By using the GASAR method, pure aluminum, Al-3wt.%Mg, Al-6wt.%Mg and Al-35wt.%Mg alloys with oriented pores have been successfully produced under processing conditions of varying gas pressure, and the relationship between the final pore structure and the solidification pressure, as well as the influences of Mg quantity on the pore size, porosity and mechanical properties of Al-Mg alloy were investigated. The results show that a higher pressure of solidification tends to yield smaller pores in aluminum and its alloys. In the case of Al-Mg alloys, it was proved that with the increasing of Mg amount, the mechanical properties of the alloys sharply deteriorate. However, since Al-3%Mg and Al-6wt.%Mg alloys are ductile metals, their porous samples have greater compressive strength than that of the dense samples due to the existence of pores. It gives the opportunity to use them in industry at the same conditions as dense alloys with savings in weight and material consumption.

  19. Numerical simulation of two-phase multicomponent flow with reactive transport in porous media

    Vostrikov, Viatcheslav

    2014-01-01

    The subject of this thesis is the numerical simulation of water-gas flow in the subsurface together with chemical reactions. The subject has applications to various situations in environmental modeling, though we are mainly concerned with CO 2 storage in deep saline aquifers. In Carbon Capture and Storage studies, CO 2 is first captured from its sources of origin, transport in liquefied form and injected as gas under high pressure in deep saline aquifers. Numerical simulation is an essential tool to make sure that gaseous CO 2 will remain trapped for several hundreds or thousands of years. Several trapping mechanisms can be brought to bear to achieve this goal. Of particular interest in this thesis are solubility trapping (whereby gaseous CO 2 dissolves in the brine as it moves upward) and, on a longer term, mineral trapping (which causes CO 2 to react with the surrounding rock to form minerals such as calcite). Thus, understanding how CO 2 reacts chemically becomes an important issue for its long term fate. The thesis is composed of four chapters. The first chapter is an introduction to multicomponent two-phase flow in porous media, with or without chemical reactions. It presents a review of the existing literature, and gives an outline of the whole thesis. Chapter 2 presents a quantitative discussion of the physical and chemical phenomena involved, and of their mathematical modeling. The model we use is that of two-phase two-component flow in porous media, coupled to reactive transport. This model leads to a large set of partial differential equations, coupled to algebraic equations, describing the evolution of the concentration of each species at each grid point. A direct solution of this problem (a fully coupled solution) is possible, but presents many difficulties form the numerical point of view. Moreover, it makes it difficult to reuse codes already written, and validated, to simulate the simpler phenomena of (uncoupled) two-phase flow and reactive transport

  20. Modeling and Simulation of Nanoparticle Transport in Multiphase Flows in Porous Media: CO2 Sequestration

    El-Amin, Mohamed

    2012-09-03

    Geological storage of anthropogenic CO2 emissions in deep saline aquifers has recently received tremendous attention in the scientific literature. Injected CO2 plume buoyantly accumulates at the top part of the deep aquifer under a sealing cap rock, and some concern that the high-pressure CO2 could breach the seal rock. However, CO2 will diffuse into the brine underneath and generate a slightly denser fluid that may induce instability and convective mixing. Onset times of instability and convective mixing performance depend on the physical properties of the rock and fluids, such as permeability and density contrast. The novel idea is to adding nanoparticles to the injected CO2 to increase density contrast between the CO2-rich brine and the underlying resident brine and, consequently, decrease onset time of instability and increase convective mixing. As far as it goes, only few works address the issues related to mathematical and numerical modeling aspects of the nanoparticles transport phenomena in CO2 storages. In the current work, we will present mathematical models to describe the nanoparticles transport carried by injected CO2 in porous media. Buoyancy and capillary forces as well as Brownian diffusion are important to be considered in the model. IMplicit Pressure Explicit Saturation-Concentration (IMPESC) scheme is used and a numerical simulator is developed to simulate the nanoparticles transport in CO2 storages.

  1. Monte Carlo simulation of nonlinear reactive contaminant transport in unsaturated porous media

    Giacobbo, F.; Patelli, E.

    2007-01-01

    In the current proposed solutions of radioactive waste repositories, the protective function against the radionuclide water-driven transport back to the biosphere is to be provided by an integrated system of engineered and natural geologic barriers. The occurrence of several nonlinear interactions during the radionuclide migration process may render burdensome the classical analytical-numerical approaches. Moreover, the heterogeneity of the barriers' media forces approximations to the classical analytical-numerical models, thus reducing their fidelity to reality. In an attempt to overcome these difficulties, in the present paper we adopt a Monte Carlo simulation approach, previously developed on the basis of the Kolmogorov-Dmitriev theory of branching stochastic processes. The approach is here extended for describing transport through unsaturated porous media under transient flow conditions and in presence of nonlinear interchange phenomena between the liquid and solid phases. This generalization entails the determination of the functional dependence of the parameters of the proposed transport model from the water content and from the contaminant concentration, which change in space and time during the water infiltration process. The corresponding Monte Carlo simulation approach is verified with respect to a case of nonreactive transport under transient unsaturated flow and to a case of nonlinear reactive transport under stationary saturated flow. Numerical applications regarding linear and nonlinear reactive transport under transient unsaturated flow are reported

  2. Grain scale simulation of multiphase flow through porous media; Simulacao em escala granular do escoamento multifasico em meio poroso

    Domingos, Ricardo Golghetto; Cheng, Liang-Yee [Universidade de Sao Paulo (USP), SP (Brazil). Escola Politecnica

    2012-07-01

    Since the grain scale modeling of multi-phase flow in porous media is of great interest for the oil industry, the aim of the present research is to show an implementation of Moving Particle Semi-Implicit (MPS) method for the grain scale simulation of multi-phase flow in porous media. Geometry data obtained by a high-resolution CT scan of a sandstone sample has been used as input for the simulations. The results of the simulations performed considering different resolutions are given, the head loss and permeability obtained numerically, as well as the influence of the wettability of the fluids inside the sample of the reservoir's sandstone. (author)

  3. Structure, composition and morphology of bioactive titanate layer on porous titanium surfaces

    Li, Jinshan; Wang, Xiaohua; Hu, Rui; Kou, Hongchao

    2014-07-01

    A bioactive coating was produced on pore surfaces of porous titanium samples by an amendatory alkali-heat treatment method. Porous titanium was prepared by powder metallurgy and its porosity and average size were 45% and 135 μm, respectively. Coating morphology, coating structure and phase constituents were examined by SEM, XPS and XRD. It was found that a micro-network structure with sizes of cells, and redundant Ca ion was detected in the titanate layer. The concentration distribution of Ti, O, Ca and Na in the coating showed a compositional gradient from the intermediate layer toward the outer surface. These compositional gradients indicate that the coating bonded to Ti substrate without a distinct interface. After immersion into the SBF solution for 3 days, a bone-like carbonate-hydroxylapatite showing a good biocompatibility was detected on the coating surface. And the redundant Ca advanced the bioactivity of the coating. Thus, the present modification is expected to allow the use of the bioactive porous titanium as artificial bones even under load-bearing conditions.

  4. The processes of vaporization in the porous structures working with the excess of liquid

    Genbach Alexander A.

    2017-01-01

    Full Text Available The processes of vaporization in porous structures, working with the excess of liquid are investigated. With regard to the thermal power plants new porous cooling system is proposed and investigated, in which the supply of coolant is conducted by the combined action of gravity and capillary forces. The cooling surface is made of stainless steel, brass, copper, bronze, nickel, alundum and glass, with wall thickness of (0.05-2•10-3 m. Visualizations of the processes of vaporization were carried out using holographic interferometry with the laser system and high speed camera. The operating conditions of the experiments were: water pressures (0.01-10 MPa, the temperature difference of sub-cooling (0-20°C, an excess of liquid (1-14 of the steam flow, the heat load (1-60•104 W/m2, the temperature difference (1-60°C and orientation of the system (± 0 - ± 90 degrees. Studies have revealed three areas of liquid vaporization process (transitional, developed and crisis. The impact of operating and design parameters on the integrated and thermal hydraulic characteristics was defined. The optimum (minimum flow rate of cooling fluid and the most effective type of mesh porous structure were also defined.

  5. Carbon Microfibers with Hierarchical Porous Structure from Electrospun Fiber-Like Natural Biopolymer

    Liang, Yeru; Wu, Dingcai; Fu, Ruowen

    2013-01-01

    Electrospinning offers a powerful route for building one-dimensional (1D) micro/nanostructures, but a common requirement for toxic or corrosive organic solvents during the preparation of precursor solution has limited their large scale synthesis and broad applications. Here we report a facile and low-cost way to prepare 1D porous carbon microfibers by using an electrospun fiber-like natural product, i.e., silk cocoon, as precursor. We surprisingly found that by utilizing a simple carbonization treatment, the cocoon microfiber can be directly transformed into 1D carbon microfiber of ca. 6 μm diameter with a unique three-dimensional porous network structure composed of interconnected carbon nanoparticles of 10~40 nm diameter. We further showed that the as-prepared carbon product presents superior electrochemical performance as binder-free electrodes of supercapacitors and good adsorption property toward organic vapor.

  6. Investigation on the structural characterization of pulsed p-type porous silicon

    Wahab, N. H. Abd; Rahim, A. F. Abd; Mahmood, A.; Yusof, Y.

    2017-08-01

    P-type Porous silicon (PS) was sucessfully formed by using an electrochemical pulse etching (PC) and conventional direct current (DC) etching techniques. The PS was etched in the Hydrofluoric (HF) based solution at a current density of J = 10 mA/cm2 for 30 minutes from a crystalline silicon wafer with (100) orientation. For the PC process, the current was supplied through a pulse generator with 14 ms cycle time (T) with 10 ms on time (Ton) and pause time (Toff) of 4 ms respectively. FESEM, EDX, AFM, and XRD have been used to characterize the morphological properties of the PS. FESEM images showed that pulse PS (PPC) sample produces more uniform circular structures with estimated average pore sizes of 42.14 nm compared to DC porous (PDC) sample with estimated average size of 16.37nm respectively. The EDX spectrum for both samples showed higher Si content with minimal presence of oxide.

  7. Effect of pore structure on capillary condensation in a porous medium.

    Deinert, M R; Parlange, J-Y

    2009-02-01

    The Kelvin equation relates the equilibrium vapor pressure of a fluid to the curvature of the fluid-vapor interface and predicts that vapor condensation will occur in pores or irregularities that are sufficiently small. Past analyses of capillary condensation in porous systems with fractal structure have related the phenomenon to the fractal dimension of the pore volume distribution. Recent work, however, suggests that porous systems can exhibit distinct fractal dimensions that are characteristic of both their pore volume and the surfaces of the pores themselves. We show that both fractal dimensions have an effect on the thermodynamics that governs capillary condensation and that previous analyses can be obtained as limiting cases of a more general formulation.

  8. Thermally induced structural modifications and O2 trapping in highly porous silica nanoparticles

    Alessi, A.; Agnello, S.; Iovino, G.; Buscarino, G.; Melodia, E.G.; Cannas, M.; Gelardi, F.M.

    2014-01-01

    In this work we investigate by Raman spectroscopy the effect of isochronal (2 h) thermal treatments in air in the temperature range 200–1000 °C of amorphous silicon dioxide porous nanoparticles with diameters ranging from 5 up to 15 nm and specific surface 590–690 m 2 /g. Our results indicate that the amorphous structure changes similarly to other porous systems previously investigated, in fact superficial SiOH groups are removed, Si–O–Si linkages are created and the ring statistic is modified, furthermore these data evidence that the three membered rings do not contribute significantly to the Raman signal detected at about 495 cm −1 . In addition, after annealing at 900 and 1000 °C we noted the appearance of the O 2 emission at 1272 nm, absent in the not treated samples. The measure of the O 2 emission has been combined with electron paramagnetic resonance measurements of the γ irradiation induced HO · 2 radicals to investigate the O 2 content per mass unit of thin layers of silica. Our data reveal that the porous nanoparticles have a much lower ability to trap O 2 molecules per mass units than nonporous silica supporting a model by which O 2 trapping inside a surface layer of about 1 nm of silica is always limited. - Highlights: • O 2 emission and HO · 2 electron paramagnetic resonance signals are investigated. • Silica surface ability to trap O 2 molecules is explored by thermal treatments. • Raman study of thermally induced structural changes in porous silica nanoparticles. • Raman signal attributable to the three membered rings in silica

  9. Thermally induced structural modifications and O{sub 2} trapping in highly porous silica nanoparticles

    Alessi, A., E-mail: antonino.alessi@unipa.it; Agnello, S.; Iovino, G.; Buscarino, G.; Melodia, E.G.; Cannas, M.; Gelardi, F.M.

    2014-12-15

    In this work we investigate by Raman spectroscopy the effect of isochronal (2 h) thermal treatments in air in the temperature range 200–1000 °C of amorphous silicon dioxide porous nanoparticles with diameters ranging from 5 up to 15 nm and specific surface 590–690 m{sup 2}/g. Our results indicate that the amorphous structure changes similarly to other porous systems previously investigated, in fact superficial SiOH groups are removed, Si–O–Si linkages are created and the ring statistic is modified, furthermore these data evidence that the three membered rings do not contribute significantly to the Raman signal detected at about 495 cm{sup −1}. In addition, after annealing at 900 and 1000 °C we noted the appearance of the O{sub 2} emission at 1272 nm, absent in the not treated samples. The measure of the O{sub 2} emission has been combined with electron paramagnetic resonance measurements of the γ irradiation induced HO{sup ·}{sub 2} radicals to investigate the O{sub 2} content per mass unit of thin layers of silica. Our data reveal that the porous nanoparticles have a much lower ability to trap O{sub 2} molecules per mass units than nonporous silica supporting a model by which O{sub 2} trapping inside a surface layer of about 1 nm of silica is always limited. - Highlights: • O{sub 2} emission and HO{sup ·}{sub 2} electron paramagnetic resonance signals are investigated. • Silica surface ability to trap O{sub 2} molecules is explored by thermal treatments. • Raman study of thermally induced structural changes in porous silica nanoparticles. • Raman signal attributable to the three membered rings in silica.

  10. Structural study on the gas adsorption phenomena in porous coordination polymers by synchrotron powder diffraction method

    Kubota, Yoshiki

    2017-01-01

    In situ synchrotron powder diffraction measurement of gas adsorption and crystal structure analysis for porous coordination polymers (PCPs) were performed. From the obtained accurate crystal structure in both atomic and charge density levels, not only the position and orientation of adsorbed gas molecules but also the interaction between the adsorbed gas molecule and host framework were found. The information enables us to understand the mechanism of gas adsorption phenomena and functions of PCPs. It will give us the guiding principles for the novel functional materials design. (author)

  11. Structure of extremely nanosized and confined In-O species in ordered porous materials

    Ramallo-Lopez, J.M.; Renteria, M.; Miro, E.E.; Requejo, F.G.; Traverse, A.

    2003-01-01

    Perturbed-angular correlation, x-ray absorption, and small-angle x-ray scattering spectroscopies were suitably combined to elucidate the local structure of highly diluted and dispersed InO x species confined in the porous of the ZSM5 zeolite. This novel approach allow us to determined the structure of extremely nanosized In-O species exchanged inside the 10-atom-ring channel of the zeolite, and to quantify the amount of In 2 O 3 crystallites deposited onto the external zeolite surface

  12. Characterization of Ge Nano structures Embedded Inside Porous Silicon for Photonics Application

    Rahim, A.F.A.; Hashim, M.R.; Rahim, A.F.A.; Ali, N.K.

    2011-01-01

    In this work we prepared germanium nano structures by means of filling the material inside porous silicon (PS) using conventional and cost effective technique, thermal evaporator. The PS acts as patterned substrate. It was prepared by anodization of silicon wafer in ethanoic hydrofluoric acid (HF). A Ge layer was then deposited onto the PS by thermal evaporation. This was followed by deposition of Si layer by thermal evaporation and anneal at 650 degree Celsius for 30 min. The process was completed by Ni metal deposition using thermal evaporator followed by metal annealing of 400 degree Celsius for 10 min to form metal semiconductor metal (MSM) photodetector. Structural analysis of the samples was performed using energy dispersive x-ray analysis (EDX), scanning electron microscope (SEM), X-ray diffraction (XRD) and Raman spectroscopy (RS). EDX spectrum suggests the presence of Ge inside the pores structure. Raman spectrum showed that good crystalline structure of Ge can be produced inside silicon pores with a phase with the diamond structure by (111), (220) and (400) reflections. Finally current-voltage (I-V) measurement of the MSM photodetector was carried out and showed lower dark currents compared to that of Si control device. Interestingly the device showed enhanced current gain compared to Si device which can be associated with the presence of Ge nano structures in the porous silicon. (author)

  13. A statistical method for predicting sound absorbing property of porous metal materials by using quartet structure generation set

    Guan, Dong; Wu, Jiu Hui; Jing, Li

    2015-01-01

    Highlights: • A random internal morphology and structure generation-growth method, termed as the quartet structure generation set (QSGS), has been utilized based on the stochastic cluster growth theory for numerical generating the various microstructures of porous metal materials. • Effects of different parameters such as thickness and porosity on sound absorption performance of the generated structures are studied by the present method, and the obtained results are validated by an empirical model as well. • This method could be utilized to guide the design and fabrication of the sound-absorption porous metal materials. - Abstract: In this paper, a statistical method for predicting sound absorption properties of porous metal materials is presented. To reflect the stochastic distribution characteristics of the porous metal materials, a random internal morphology and structure generation-growth method, termed as the quartet structure generation set (QSGS), has been utilized based on the stochastic cluster growth theory for numerical generating the various microstructures of porous metal materials. Then by using the transfer-function approach along with the QSGS tool, we investigate the sound absorbing performance of porous metal materials with complex stochastic geometries. The statistical method has been validated by the good agreement among the numerical results for metal rubber from this method and a previous empirical model and the corresponding experimental data. Furthermore, the effects of different parameters such as thickness and porosity on sound absorption performance of the generated structures are studied by the present method, and the obtained results are validated by an empirical model as well. Therefore, the present method is a reliable and robust method for predicting the sound absorption performance of porous metal materials, and could be utilized to guide the design and fabrication of the sound-absorption porous metal materials

  14. Study on structural properties of epitaxial silicon films on annealed double layer porous silicon

    Yue Zhihao; Shen Honglie; Cai Hong; Lv Hongjie; Liu Bin

    2012-01-01

    In this paper, epitaxial silicon films were grown on annealed double layer porous silicon by LPCVD. The evolvement of the double layer porous silicon before and after thermal annealing was investigated by scanning electron microscope. X-ray diffraction and Raman spectroscopy were used to investigate the structural properties of the epitaxial silicon thin films grown at different temperature and different pressure. The results show that the surface of the low-porosity layer becomes smooth and there are just few silicon-bridges connecting the porous layer and the substrate wafer. The qualities of the epitaxial silicon thin films become better along with increasing deposition temperature. All of the Raman peaks of silicon films with different deposition pressure are situated at 521 cm -1 under the deposition temperature of 1100 °C, and the Raman intensity of the silicon film deposited at 100 Pa is much closer to that of the monocrystalline silicon wafer. The epitaxial silicon films are all (4 0 0)-oriented and (4 0 0) peak of silicon film deposited at 100 Pa is more symmetric.

  15. Multiscale Simulation of Porous Ceramics Based on Movable Cellular Automaton Method

    Smolin, A.; Smolin, I.; Eremina, G.; Smolina, I.

    2017-10-01

    The paper presents a model for simulating mechanical behaviour of multiscale porous ceramics based on movable cellular automaton method, which is a novel particle method in computational mechanics of solid. The initial scale of the proposed approach corresponds to the characteristic size of the smallest pores in the ceramics. At this scale, we model uniaxial compression of several representative samples with an explicit account of pores of the same size but with the random unique position in space. As a result, we get the average values of Young’s modulus and strength, as well as the parameters of the Weibull distribution of these properties at the current scale level. These data allow us to describe the material behaviour at the next scale level were only the larger pores are considered explicitly, while the influence of small pores is included via the effective properties determined at the previous scale level. If the pore size distribution function of the material has N maxima we need to perform computations for N - 1 levels in order to get the properties from the lowest scale up to the macroscale step by step. The proposed approach was applied to modelling zirconia ceramics with bimodal pore size distribution. The obtained results show correct behaviour of the model sample at the macroscale.

  16. Monte Carlo simulation of radioactive contaminant transport in unsaturated porous media

    Giacobbo, F.; Patelli, E.; Zio, E.

    2005-01-01

    In the current proposed solutions of radioactive waste repositories, the protective function against the radionuclide water-driven transport back to the biosphere is to be provided by an integrated system of artificial and natural geologic barriers. The complexity of the transport process in the barriers' heterogeneous media forces approximations to the classical analytical-numerical models, thus reducing their adherence to reality. In an attempt to overcome these difficulties, in the present paper we adopt a Monte Carlo simulation approach, previously developed on the basis of the Kolmogorov and Dmitriev theory of branching stochastic processes. The approach is here extended for describing transport through unsaturated porous media under unsteady flow conditions. This generalization entails the determination of the functional dependence of the parameters of the proposed transport model from the water content, which changes in space and time during the water infiltration process. The approach is verified with respect to a case of non-reactive transport under transient unsaturated field conditions by a comparison with a standard code based on the classical advection-dispersion equations. An application regarding linear reactive transport is then presented. (authors)

  17. Theory and simulation of time-fractional fluid diffusion in porous media

    Carcione, José M; Sanchez-Sesma, Francisco J; Gavilán, Juan J Perez; Luzón, Francisco

    2013-01-01

    We simulate a fluid flow in inhomogeneous anisotropic porous media using a time-fractional diffusion equation and the staggered Fourier pseudospectral method to compute the spatial derivatives. A fractional derivative of the order of 0 < ν < 2 replaces the first-order time derivative in the classical diffusion equation. It implies a time-dependent permeability tensor having a power-law time dependence, which describes memory effects and accounts for anomalous diffusion. We provide a complete analysis of the physics based on plane waves. The concepts of phase, group and energy velocities are analyzed to describe the location of the diffusion front, and the attenuation and quality factors are obtained to quantify the amplitude decay. We also obtain the frequency-domain Green function. The time derivative is computed with the Grünwald–Letnikov summation, which is a finite-difference generalization of the standard finite-difference operator to derivatives of fractional order. The results match the analytical solution obtained from the Green function. An example of the pressure field generated by a fluid injection in a heterogeneous sandstone illustrates the performance of the algorithm for different values of ν. The calculation requires storing the whole pressure field in the computer memory since anomalous diffusion ‘recalls the past’. (paper)

  18. On the interpretation of double-packer tests in heterogeneous porous media: Numerical simulations using the stochastic continuum analogue

    Follin, S.

    1992-12-01

    Flow in fractured crystalline (hard) rocks is of interest in Sweden for assessing the postclosure radiological safety of a deep repository for high-level nuclear waste. For simulation of flow and mass transport in the far field different porous media concepts are often used, whereas discrete fracture/channel network concepts are often used for near-field simulations. Due to lack of data, it is generally necessary to have resort to single-hole double-packer test data for the far-field simulations, i.e., test data on a small scale are regularized in order to fit a comparatively coarser numerical discretization, which is governed by various computational constraints. In the present study the Monte Carlo method is used to investigate the relationship between the transmissivity value interpreted and the corresponding radius of influence in conjunction with single-hole double-packer tests in heterogeneous formations. The numerical flow domain is treated as a two-dimensional heterogeneous porous medium with a spatially varying diffusivity on 3 m scale. The Monte Carlo simulations demonstrate the sensitivity to the correlation range of a spatially varying diffusivity field. In contradiction to what is tacitly assumed in stochastic subsurface hydrology, the results show that the lateral support scale (e.g., the radius of influence) of transmissivity measurements in heterogeneous porous media is a random variable, which is affected by both the hydraulic and statistical characteristics. If these results are general, the traditional methods for scaling-up, assuming a constant lateral scale of support and a multi normal distribution, may lead to an underestimation of the persistence and connectivity of transmissive zones, particularly in highly heterogeneous porous media

  19. THE STRUCTURE ANALYTICAL RESEARCH OF POROUS PERMEABLE WIRE MATERIAL (in Russian

    Andrzej JAKUBOWSKI

    2016-04-01

    Full Text Available The details of making technology of porous permeable material with use of wire are allowed to carry out the analytical research of structure and structural characteristics of wire winding body. Its permit for prognostication the final proper-ties of material, that is produced by the following deformation treatment (diameter reduction. Due to the regular orga-nized arrangement of wire, the coil of winding body is considered as a multispan continuous beam, but a contact of coils – as interaction of two cylinders. Possibility of exactly calculation of the contacts between coils is allowed to go over the single fragment displacements into deformation of whole winding body. During research of deformation processes in regards of winding body geometry and used wire mechanical properties, the structural characteristics of porous permea-ble wire material are expected. The optimal number of winding layers, eliminating the distortion of organized final struc-ture, is established. The material pressure–compactness relation is obtained in order to control the technological condi-tions of winding and drafting for guarantee the product required properties.

  20. Optimization of process for creating porous structure of materials from industrial waste

    Mangutova-Stoilkovska, Bianka

    2005-01-01

    Republic of Macedonia, as many European countries, possesses great quantities of industrial waste materials from thermo electrical power stations and metallurgical capacities. The powder from waste fly ash and metallurgical slag was specified from chemical, geometrical, structural and thermochemical aspects. After the consolidation, the compacts were specified from structural, mechanical and thermophysical aspects. Using three kinds of waste glasses (TV glass, window and flask), the sintering temperature was significantly reduced and ecologically risky components were fixed molecularly in the matrix based on fly ash and metallurgical slag. The glass was characterized from chemical, geometrical and thermophysical point of view. The amount of glass in the composites varied from 10%-50%. The mechanical and thermal expansion properties of the sintered compacts, in the temperature region from 800 o -1200 o C were determined. The thermodynamic stability, mechanical properties and chemical inertness have been used as criterion for selection of the consolidated compacts. Special attention was given to the creation of highly porous structure. For the purpose to obtain a high joint porous structure, several types of porosity have been used: polyurethane foam, hydrogen peroxide, limestone, carbon ash and carbon fibres. The obtained glass-ceramic materials could be used in the building industry, for making filters for gases and liquids as well as diffusers for waste water aeration. (Author)

  1. Porous structure evolution of cellulose carbon fibres during heating in the initial activation stage

    Babel, Krzysztof [Institute of Chemical Wood Technology, Agricultural Academy of Poznan, Ul. Wojska Polskiego 38/42, 60-637 Poznan (Poland)

    2004-01-15

    This paper is focused on the description of changes in the porous structure during fast heating to the activation temperature of the viscose fibres, pyrolysed to different final temperatures. Standard regenerated cellulose fibre structures were tested. Fabrics were subjected to pyrolysis, the samples being heated to final temperatures of 400, 600 and 850 C. Carbon fibres were subsequently heated to activation temperature (850 C) at a rate of 100 C/min, and then the samples were cooled down. The characteristics of obtained carbon preparations were examined. We have defined a level of restructuring and internal ordering of fibres which originated during slow pyrolysis as well as the range of temperature differences of pyrolysis and activation where fast increase of carbon fibre temperature before activation is advantageous for the development of porous structure. It allows for partial release of pores and fast rebuilding of structure accompanied by a considerable number of defects in the carbon matrix with higher reactivity to oxidiser which, in turn, promotes the development of pores in active carbon during oxidation. Temperature difference for viscose carbon fibres is approximately 150-300 C at pyrolysis temperature of 550-700 C.

  2. Development of porous structures in GaSb by ion irradiation

    Jacobi, C.C.; Steinbach, T.; Wesch, W.

    2012-01-01

    Ion irradiation of GaSb causes not only defect formation but also leads to the formation of a porous structure. To study the behaviour of this structural modification, GaSb was irradiated with 6 MeV Iodine ions and ion fluences from 5 × 10 12 to 6 × 10 15 ions/cm 2 . The samples were investigated by step height measurements and scanning electron microscopy (SEM). Experiments were performed with two different procedures: (CI) Continuous Irradiation of samples followed by measurements of the step height in air and (SI) Stepwise Irradiation of samples with measurements of the step height in air between subsequent irradiations. Samples irradiated continuously, show a linear increase of the step height with increasing ion fluence up to 1.5 × 10 14 ions/cm 2 followed by a steeper, linear increase for higher ion fluences up to a step height of 32 μm. This swelling is induced by a formation of voids, and the two different slopes can be explained by a transformation from isolated voids to a rod like structure. For samples irradiated accordingly to procedure (SI), the step height shows the same behaviour up to an ion fluence of 1.5 × 10 14 ions/cm 2 resulting in a step height of ≈3 μm but then decreases with further irradiation. The latter effect is caused by a compaction of the porous structure.

  3. Density-Driven Flow Simulation in Anisotropic Porous Media: Application to CO2 Geological Sequestration

    Negara, Ardiansyah

    2014-04-21

    Carbon dioxide (CO2) sequestration in saline aquifers is considered as one of the most viable and promising ways to reduce CO2 concentration in the atmosphere. CO2 is injected into deep saline formations at supercritical state where its density is smaller than the hosting brine. This motivates an upward motion and eventually CO2 is trapped beneath the cap rock. The trapped CO2 slowly dissolves into the brine causing the density of the mixture to become larger than the host brine. This causes gravitational instabilities that is propagated and magnified with time. In this kind of density-driven flows, the CO2-rich brines migrate downward while the brines with low CO2 concentration move upward. With respect to the properties of the subsurface aquifers, there are instances where saline formations can possess anisotropy with respect to their hydraulic properties. Such anisotropy can have significant effect on the onset and propagation of flow instabilities. Anisotropy is predicted to be more influential in dictating the direction of the convective flow. To account for permeability anisotropy, the method of multipoint flux approximation (MPFA) in the framework of finite differences schemes is used. The MPFA method requires more point stencil than the traditional two-point flux approximation (TPFA). For example, calculation of one flux component requires 6-point stencil and 18-point stencil in 2-D and 3-D cases, respectively. As consequence, the matrix of coefficient for obtaining the pressure fields will be quite complex. Therefore, we combine the MPFA method with the experimenting pressure field technique in which the problem is reduced to solving multitude of local problems and the global matrix of coefficients is constructed automatically, which significantly reduces the complexity. We present several numerical scenarios of density-driven flow simulation in homogeneous, layered, and heterogeneous anisotropic porous media. The numerical results emphasize the

  4. Tunable hydrogen separation in porous graphene membrane: first-principle and molecular dynamic simulation.

    Tao, Yehan; Xue, Qingzhong; Liu, Zilong; Shan, Meixia; Ling, Cuicui; Wu, Tiantian; Li, Xiaofang

    2014-06-11

    First-principle density functional theory (DFT) calculation and molecular dynamic (MD) simulation are employed to investigate the hydrogen purification performance of two-dimensional porous graphene material (PG-ESX). First, the pore size of PG-ES1 (3.2775 Å) is expected to show high selectivity of H2 by DFT calculation. Then MD simulations demonstrate the hydrogen purification process of the PG-ESX membrane. The results indicate that the selectivity of H2 over several other gas molecules that often accompany H2 in industrial steam methane reforming or dehydrogenation of alkanes (such as N2, CO, and CH4) is sensitive to the pore size of the membrane. PG-ES and PG-ES1 membranes both exhibit high selectivity for H2 over other gases, but the permeability of the PG-ES membrane is much lower than the PG-ES1 membrane because of the smaller pore size. The PG-ES2 membrane with bigger pores demonstrates low selectivity for H2 over other gases. Energy barrier and electron density have been used to explain the difference of selectivity and permeability of PG-ESX membranes by DFT calculations. The energy barrier for gas molecules passing through the membrane generally increase with the decreasing of pore sizes or increasing of molecule kinetic diameter, due to the different electron overlap between gas and a membrane. The PG-ES1 membrane is far superior to other carbon membranes and has great potential applications in hydrogen purification, energy clean combustion, and making new concept membrane for gas separation.

  5. A hierarchy of models for simulating experimental results from a 3D heterogeneous porous medium

    Vogler, Daniel; Ostvar, Sassan; Paustian, Rebecca; Wood, Brian D.

    2018-04-01

    In this work we examine the dispersion of conservative tracers (bromide and fluorescein) in an experimentally-constructed three-dimensional dual-porosity porous medium. The medium is highly heterogeneous (σY2 = 5.7), and consists of spherical, low-hydraulic-conductivity inclusions embedded in a high-hydraulic-conductivity matrix. The bimodal medium was saturated with tracers, and then flushed with tracer-free fluid while the effluent breakthrough curves were measured. The focus for this work is to examine a hierarchy of four models (in the absence of adjustable parameters) with decreasing complexity to assess their ability to accurately represent the measured breakthrough curves. The most information-rich model was (1) a direct numerical simulation of the system in which the geometry, boundary and initial conditions, and medium properties were fully independently characterized experimentally with high fidelity. The reduced-information models included; (2) a simplified numerical model identical to the fully-resolved direct numerical simulation (DNS) model, but using a domain that was one-tenth the size; (3) an upscaled mobile-immobile model that allowed for a time-dependent mass-transfer coefficient; and, (4) an upscaled mobile-immobile model that assumed a space-time constant mass-transfer coefficient. The results illustrated that all four models provided accurate representations of the experimental breakthrough curves as measured by global RMS error. The primary component of error induced in the upscaled models appeared to arise from the neglect of convection within the inclusions. We discuss the necessity to assign value (via a utility function or other similar method) to outcomes if one is to further select from among model options. Interestingly, these results suggested that the conventional convection-dispersion equation, when applied in a way that resolves the heterogeneities, yields models with high fidelity without requiring the imposition of a more

  6. Effect of ball-milling time on the structural characteristics of biomedical porous Ti-Sn-Nb alloy

    Nouri, Alireza, E-mail: alireza_nouri@yahoo.com [CQM-Centro de Quimica da Madeira, MMRG, Universidade da Madeira, Campus Universitario da Penteada, 9000-390 Funchal (Portugal); Institute for Technology Research and Innovation, Deakin University, Geelong, Victoria 3217 (Australia); Hodgson, Peter D. [Institute for Technology Research and Innovation, Deakin University, Geelong, Victoria 3217 (Australia); Wen Cuie [IRIS, Faculty of Engineering and Industrial Sciences, Swinburne University of Technology, 543-454 Burwood Road, Hawthorn, Victoria 3122 Australia (Australia)

    2011-07-20

    The structural characteristics of biomedical porous materials are crucial for bone tissue to grow into a porous structure and can also influence the fixation and remodeling between the implant and the human tissues. The current study has been investigating the effect of the ball-milling variable of time on the structural characteristics and pore morphology of a biomedical porous Ti-16Sn-4Nb (wt.%) alloy. The alloy was synthesized using high-energy ball milling for different periods of time, and the porous Ti-16Sn-4Nb alloy was fabricated by using a space holder sintering process. The resultant powder particles, bulk, and porous samples were characterized using a scanning electron microscope (SEM), laser particle-size analyzer, chemical analysis, X-ray diffraction analysis (XRD), and the Vickers hardness test. The results indicated that the inner pore surface, pore wall architecture, degree of porosity, pore size and the inter-pore connectivity of the sintered porous alloy are all considerably affected by ball-milling time.

  7. A micromechanical approach To numerical modeling of yielding of open-cell porous structures under compressive loads

    Hedayati, R.; Sadighi, M.

    2016-01-01

    Today, interconnected open-cell porous structures made of titanium and its alloys are replacing the prevalent solid metals used in bone substitute implants. The advent of additive manufacturing techniques has enabled manufacturing of open-cell structures with arbitrary micro-structural geometry.

  8. Structured building model reduction toward parallel simulation

    Dobbs, Justin R. [Cornell University; Hencey, Brondon M. [Cornell University

    2013-08-26

    Building energy model reduction exchanges accuracy for improved simulation speed by reducing the number of dynamical equations. Parallel computing aims to improve simulation times without loss of accuracy but is poorly utilized by contemporary simulators and is inherently limited by inter-processor communication. This paper bridges these disparate techniques to implement efficient parallel building thermal simulation. We begin with a survey of three structured reduction approaches that compares their performance to a leading unstructured method. We then use structured model reduction to find thermal clusters in the building energy model and allocate processing resources. Experimental results demonstrate faster simulation and low error without any interprocessor communication.

  9. Feasibility demonstration of consolidating porous beryllium/carbon structures. Final report

    Browning, M.J.; Hoover, G.E.; Mueller, J.J.; Hanes, H.D.

    1977-01-01

    A preliminary feasibility study was initiated to determine if porous beryllium structures could be fabricated by consolidating beryllium-coated microballoons into a rigid structure. The target specifications were to coat nominally 1-mm diameter microspheres with 0.5-mil beryllium coatings and then bond into a structure. Because of the very short time period, it was agreeable to use existing or quickly-available materials. The general approach was to apply coatings to carbon or quartz microspheres. Physical vapor deposition and ''snow-balling'' of fine beryllium powder were the two methods investigated. Once the particles were coated, HIP (pressure bonding) and pressureless sintering were to be investigated as methods for consolidating the microballoons. A low level of effort was to be spent to look at means of fabricating an all-carbon structure

  10. Significance of porous structure on degradatin of 2 2' dichloro diethyl sulphide and 2 chloroethyl ethyl sulphide on the surface of vanadium oxide nanostructure

    Singh, Beer; Mahato, T.H.; Srivastava, A.K.; Prasad, G.K.; Ganesan, K.; Vijayaraghavan, R.; Jain, Rajeev

    2011-01-01

    Degradation of the king of chemical warfare agent, 2 2' dichloro diethyl sulphide (HD), and its simulant 2 chloroethyl ethyl sulphide (CEES) were investigated on the surface of porous vanadium oxide nanotubes at room temperature (30 ± 2 ° C ). Reaction kinetics was monitored by GC-FID technique and the reaction products were characterized by GC-MS. Data indicates that HD degraded faster relative to CEES inside the solid decontaminant compared to the reported liquid phase degradation of CEES and HD. Data explores the role of hydrolysis, elimination and oxidation reactions in the detoxification of HD and CEES and the first order rate constant and t 1/2 were calculated to be 0.026 h -1 , 26.6 h for CEES and 0.052 h -1 , 13.24 h for HD. In this report faster degradation of HD compared to CEES was explained on the basis of porous structure.

  11. SPMHD simulations of structure formation

    Barnes, David J.; On, Alvina Y. L.; Wu, Kinwah; Kawata, Daisuke

    2018-05-01

    The intracluster medium of galaxy clusters is permeated by μ {G} magnetic fields. Observations with current and future facilities have the potential to illuminate the role of these magnetic fields play in the astrophysical processes of galaxy clusters. To obtain a greater understanding of how the initial seed fields evolve to the magnetic fields in the intracluster medium requires magnetohydrodynamic simulations. We critically assess the current smoothed particle magnetohydrodynamic (SPMHD) schemes, especially highlighting the impact of a hyperbolic divergence cleaning scheme and artificial resistivity switch on the magnetic field evolution in cosmological simulations of the formation of a galaxy cluster using the N-body/SPMHD code GCMHD++. The impact and performance of the cleaning scheme and two different schemes for the artificial resistivity switch is demonstrated via idealized test cases and cosmological simulations. We demonstrate that the hyperbolic divergence cleaning scheme is effective at suppressing the growth of the numerical divergence error of the magnetic field and should be applied to any SPMHD simulation. Although the artificial resistivity is important in the strong field regime, it can suppress the growth of the magnetic field in the weak field regime, such as galaxy clusters. With sufficient resolution, simulations with divergence cleaning can reproduce observed magnetic fields. We conclude that the cleaning scheme alone is sufficient for galaxy cluster simulations, but our results indicate that the SPMHD scheme must be carefully chosen depending on the regime of the magnetic field.

  12. Multi-Scale Coupling Between Monte Carlo Molecular Simulation and Darcy-Scale Flow in Porous Media

    Saad, Ahmed Mohamed

    2016-06-01

    In this work, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell centered finite difference method with non-uniform rectangular mesh were used to discretize the simulation domain and solve the governing equations. To speed up the MC simulations, we implemented a recently developed scheme that quickly generates MC Markov chains out of pre-computed ones, based on the reweighting and reconstruction algorithm. This method astonishingly reduces the required computational times by MC simulations from hours to seconds. To demonstrate the strength of the proposed coupling in terms of computational time efficiency and numerical accuracy in fluid properties, various numerical experiments covering different compressible single-phase flow scenarios were conducted. The novelty in the introduced scheme is in allowing an efficient coupling of the molecular scale and the Darcy\\'s one in reservoir simulators. This leads to an accurate description of thermodynamic behavior of the simulated reservoir fluids; consequently enhancing the confidence in the flow predictions in porous media.

  13. Ultrathin nickel hydroxide on carbon coated 3D-porous copper structures for high performance supercapacitors.

    Kang, Kyeong-Nam; Kim, Ik-Hee; Ramadoss, Ananthakumar; Kim, Sun-I; Yoon, Jong-Chul; Jang, Ji-Hyun

    2018-01-03

    An ultrathin nickel hydroxide layer electrodeposited on a carbon-coated three-dimensional porous copper structure (3D-C/Cu) is suggested as an additive and binder-free conductive electrode with short electron path distances, large electrochemical active sites, and improved structural stability, for high performance supercapacitors. The 3D-porous copper structure (3D-Cu) provides high electrical conductivity and facilitates electron transport between the Ni(OH) 2 active materials and the current collector of the Ni-plate. A carbon coating was applied to the 3D-Cu to prevent the oxidation of Cu, without degrading the electron transport behavior of the 3D-Cu. The 3D-Ni(OH) 2 /C/Cu exhibited a high specific capacitance of 1860 F g -1 at 1 A g -1 , and good cycling performance, with an 86.5% capacitance retention after 10 000 cycles. When tested in a two-electrode system, an asymmetric supercapacitor exhibited an energy density of 147.9 W h kg -1 and a power density of 37.0 kW kg -1 . These results open a new area of ultrahigh-performance supercapacitors, supported by 3D-Cu electrodes.

  14. UV photooxidation induced structural and photoluminescence behaviors in vapor-etching based porous silicon

    Aouida, S.; Saadoun, M.; Ben Saad, K.; Bessais, B.

    2006-01-01

    In this paper, we investigate the effect of UV irradiation on Vapor-Etching (VE) based Porous Silicon (PS) structure and luminescence under controlled atmosphere (N 2 , air, O 2 ). The oxidation evolution is monitored by Fourier transform infrared (FTIR) spectroscopy. FTIR measurements show that the SiH x bond, initially present in the freshly prepared PS layers, decreased progressively with UV irradiation time until they completely disappear. We found that this treatment accelerates the oxidation process. SiO x structures appear and gradually become dominant as regard to the SiH x species, while UV irradiation is in progress. Generally, the photoluminescence (PL) intensity of the PS layer decreases instantaneously at the starting by the UV excitation and stabilizes after a period depending on the ambient gas and the specific surface area of the porous structure. Further UV exposure leads to a linear decrease of the PL intensity due to change of surface passivation from SiH x to O y SiH x . After less than 100 min of UV irradiation, the PL intensity exhibits an exponential decay. UV exposure in air and O 2 leads approximately to the same PL behavior, although faster PL intensity decrease was observed under O 2 -rich ambient. This was explained as being due to intense hydrogen desorption in presence of oxygen. Correlations of PL results with FTIR measurements show that surface passivation determine the electronic states of silicon nano-crystallites and influence the photoluminescence efficiency

  15. A poroplastic model of structural reorganisation in porous media of biomechanical interest

    Grillo, Alfio; Prohl, Raphael; Wittum, Gabriel

    2016-03-01

    We present a poroplastic model of structural reorganisation in a binary mixture comprising a solid and a fluid phase. The solid phase is the macroscopic representation of a deformable porous medium, which exemplifies the matrix of a biological system (consisting e.g. of cells, extracellular matrix, collagen fibres). The fluid occupies the interstices of the porous medium and is allowed to move throughout it. The system reorganises its internal structure in response to mechanical stimuli. Such structural reorganisation, referred to as remodelling, is described in terms of "plastic" distortions, whose evolution is assumed to obey a phenomenological flow rule driven by stress. We study the influence of remodelling on the mechanical and hydraulic behaviour of the system, showing how the plastic distortions modulate the flow pattern of the fluid, and the distributions of pressure and stress inside it. To accomplish this task, we solve a highly nonlinear set of model equations by elaborating a previously developed numerical procedure, which is implemented in a non-commercial finite element solver.

  16. Electrohydrodynamic bubbling: an alternative route to fabricate porous structures of silk fibroin based materials.

    Ekemen, Zeynep; Ahmad, Zeeshan; Stride, Eleanor; Kaplan, David; Edirisinghe, Mohan

    2013-05-13

    Conventional fabrication techniques and structures employed in the design of silk fibroin (SF) based porous materials provide only limited control over pore size and require several processing stages. In this study, it is shown that, by utilizing electrohydrodynamic bubbling, not only can new hollow spherical structures of SF be formed in a single step by means of bubbles, but the resulting bubbles can serve as pore generators when dehydrated. The bubble characteristics can be controlled through simple adjustments to the processing parameters. Bubbles with diameters in the range of 240-1000 μm were fabricated in controlled fashion. FT-IR characterization confirmed that the rate of air infused during processing enhanced β-sheet packing in SF at higher flow rates. Dynamic mechanical analysis also demonstrated a correlation between air flow rate and film tensile strength. Results indicate that electrohydrodynamically generated SF and their composite bubbles can be employed as new tools to generate porous structures in a controlled manner with a range of potential applications in biocoatings and tissue engineering scaffolds.

  17. Stochastic porous media modeling and high-resolution schemes for numerical simulation of subsurface immiscible fluid flow transport

    Brantson, Eric Thompson; Ju, Binshan; Wu, Dan; Gyan, Patricia Semwaah

    2018-04-01

    This paper proposes stochastic petroleum porous media modeling for immiscible fluid flow simulation using Dykstra-Parson coefficient (V DP) and autocorrelation lengths to generate 2D stochastic permeability values which were also used to generate porosity fields through a linear interpolation technique based on Carman-Kozeny equation. The proposed method of permeability field generation in this study was compared to turning bands method (TBM) and uniform sampling randomization method (USRM). On the other hand, many studies have also reported that, upstream mobility weighting schemes, commonly used in conventional numerical reservoir simulators do not accurately capture immiscible displacement shocks and discontinuities through stochastically generated porous media. This can be attributed to high level of numerical smearing in first-order schemes, oftentimes misinterpreted as subsurface geological features. Therefore, this work employs high-resolution schemes of SUPERBEE flux limiter, weighted essentially non-oscillatory scheme (WENO), and monotone upstream-centered schemes for conservation laws (MUSCL) to accurately capture immiscible fluid flow transport in stochastic porous media. The high-order schemes results match well with Buckley Leverett (BL) analytical solution without any non-oscillatory solutions. The governing fluid flow equations were solved numerically using simultaneous solution (SS) technique, sequential solution (SEQ) technique and iterative implicit pressure and explicit saturation (IMPES) technique which produce acceptable numerical stability and convergence rate. A comparative and numerical examples study of flow transport through the proposed method, TBM and USRM permeability fields revealed detailed subsurface instabilities with their corresponding ultimate recovery factors. Also, the impact of autocorrelation lengths on immiscible fluid flow transport were analyzed and quantified. A finite number of lines used in the TBM resulted into visual

  18. Effect of the local electric field on the formation of an ordered structure in porous anodic alumina

    Lazarouk, S. K.; Katsuba, P. S.; Leshok, A. A.; Vysotskii, V. B.

    2015-09-01

    Experimental data and a model are presented, and the electric field that appears in porous alumina during electrochemical anodic oxidation of aluminum in electrolytes based on an aqueous solution of oxalic acid at a voltage of 90-250 V is calculated. It is found that the electric field in the layers with a porosity of 1-10% in growing alumina reaches 109-1010 V/m, which exceeds the electric strength of the material and causes microplasma patterns emitting visible light at the pore bottom, the self-organization of the structure of porous alumina, and the anisotropy of local porous anodizing. Moreover, other new effects are to be expected during aluminum anodizing under the conditions that ensure a high electric field inside the barrier layer of porous oxide.

  19. High-performance lithium storage of Co3O4 achieved by constructing porous nanotube structure

    Cui, Zhentao; Wang, Shuguang; Zhang, Yihe; Cao, Minhua

    2015-01-01

    Graphical abstract: The porous Co 3 O 4 nanotubes (P-Co 3 O 4 -NTs) are prepared by coaxial electrospinning method followed by a fine annealing treatment. The resultant P-Co 3 O 4 -NTs exhibit excellent lithium storage performance in terms of specific capacity, rate capability, and cycling stability when used as an anode material for rechargeable lithium ion batteries (LIBs). - Abstract: Co 3 O 4 has been investigated intensively for its high specific capacity which makes it a promising candidate anode for high-performance lithium ion batteries (LIBs). However, rational design of Co 3 O 4 electrode that is beneficial for its electrochemical performance is still a great challenge. Herein, we designed and fabricated porous Co 3 O 4 nanotubes (P-Co 3 O 4 -NTs) by coaxial electrospinning method followed by a fine annealing treatment, which display one dimensional tubular structure with porous wall and hollow interior. The uniqueness of this strategy is that the morphologies of the P-Co 3 O 4 -NTs could be tuned by adjusting the mass ratio of reactants. The resultant P-Co 3 O 4 -NTs exhibit excellent lithium storage performance in terms of specific capacity, rate capability, and cycling stability, when used as an anode material for rechargeable LIBs. This unique structure endows a high reversible specific capacity of 1826.2 mA g −1 at a current density of 0.3 A g −1 after 100 cycles. Even at high current densities of 2 and 5 A g −1 , the P-Co 3 O 4 -NTs electrode still could deliver remarkable discharge capacities of 1506.2 and 1145.1 mAh g −1 , respectively. The excellent electrochemical performance can be attributed to the unique tubular and porous structure of P-Co 3 O 4 -NTs, which not only can accommodate the large volume change but also can provide an excellent ion diffusion and electronic conduction pathway. Therefore, the P-Co 3 O 4 -NTs have the potential for use as a high performance anode material in LIBs.

  20. Effect of rigidity of porous structure on electrochemical behavior of pristine Li4Ti5O12 microspheres

    Jia, Zhenyong; Zhou, Qun; Li, Xiaowei; Fu, Yu; Ming, Hai; Zheng, Junwei

    2015-01-01

    Highlights: • Rigid porous framework of Li 4 Ti 5 O 12 microspheres can be fabricated by mutual molten growth of primary particles. • Well-confined nanosized tortuous channels are formed inside Li 4 Ti 5 O 12 microspheres. • Li 4 Ti 5 O 12 microspheres with rigid porous structures exhibit greatly enhanced electrochemical performance. - Abstract: Highly controllable porous architecture is desirable to tailor the physical and chemical properties of functional materials in advanced lithium ion batteries. Here, porous microspheres of spinel lithium titanate (Li 4 Ti 5 O 12 ), a promising alternative anode material for lithium ion batteries, are fabricated by mutual molten growth method in a controllable manner. The key role of the rigidity of the porous structure on the performance of the electrode materials in lithium ion batteries is demonstrated. Rigid framework of the materials is formed by second growth of the primary particles that fused together to generate an interconnected nanopore system inside the spheres, leading to better electrolyte diffusion and lower interparticle contact resistance, relative to the non-porous counterpart. The pristine Li 4 Ti 5 O 12 microspheres with uniform pore distribution and continuous framework exhibit high tap density, remarkable reversible capacity and rate capability, as well as excellent cycling stability. The present method is scalable and may provide a new approach to fabricate other candidate electrode materials for applications that require both high power and high volumetric energy density

  1. Pore-scale simulation of fluid flow and solute dispersion in three-dimensional porous media

    Icardi, Matteo; Boccardo, Gianluca; Marchisio, Daniele L.; Tosco, Tiziana; Sethi, Rajandrea

    2014-01-01

    In the present work fluid flow and solute transport through porous media are described by solving the governing equations at the pore scale with finite-volume discretization. Instead of solving the simplified Stokes equation (very often employed

  2. Contaminant flow and transport simulation in cracked porous media using locally conservative schemes

    Song, Pu; Sun, Shuyu

    2012-01-01

    The purpose of this paper is to analyze some features of contaminant flow passing through cracked porous medium, such as the influence of fracture network on the advection and diffusion of contaminant species, the impact of adsorption on the overall

  3. Compaction of lanthanide oxide porous microspheres: experimental approach and numerical simulation

    Parant, Paul

    2016-01-01

    One option envisioned for the future management of high level nuclear waste is the transmutation of minor actinides into short-lived fission products in sodium fast reactor. This route requires the development of pellet fabrication processes to prepare Minor Actinide Bearing Blanket (MABB) for the transmutation of americium. Currently, those ceramic pellets are produced by powder metallurgy processes involving numerous grinding and milling steps that generate very fine and highly contaminating and irradiating particles. a viable option for reducing the amount of those fine particles would be to develop a dustless process by working on much coarser particles. In this context, this study is concerned with the pelletizing of porous and spherical lanthanides oxide precursors (surrogates of actinides). The present work uses both experimental data and numerical simulations to optimize the pelletizing step. The final aim is to obtain, after sintering, homogeneous, dense and undistorted ceramic pellets. Firstly, this study concerns the synthesis and characterization of these oxide microspheres precursors by the Weak acid Resin process, which consists in loading beads of ion exchange resin with lanthanides cations and mineralizing the metal loaded resin leads into sub-millimetric-sized oxide microspheres. Comprehensive characterizations of the microstructure were carried out in function of the synthesis parameters such as calcination temperature, metal nature and diameter size /distribution of the resin beads starting materials to better understand their behaviour into the matrix when producing pellets. Secondly, the mechanical properties of a single microsphere were investigated in order to better understand its behaviour during compaction steps. They were also analysed using multi-scale simulations based on the Discrete Element Method (DEM), which is well suited for such particulate materials. In a second approach, compaction studies were carried out in a three parts die

  4. Microstructure and in vitro cellular response to novel soy protein-based porous structures for tissue regeneration applications.

    Olami, Hilla; Zilberman, Meital

    2016-02-01

    Interest in the development of new bioresorbable structures for various tissue engineering applications is on the rise. In the current study, we developed and studied novel soy protein-based porous blends as potential new scaffolds for such applications. Soy protein has several advantages over the various types of natural proteins employed for biomedical applications due to its low price, non-animal origin and relatively long storage time and stability. In the present study, blends of soy protein with other polymers (gelatin, pectin and alginate) were added and chemically cross-linked using the cross-linking agents carbodiimide or glyoxal, and the porous structure was obtained through lyophilization. The resulting blend porous structures were characterized using environmental scanning microscopy, and the cytotoxicity of these scaffolds was examined in vitro. The biocompatibility of the scaffolds was also evaluated in vitro by seeding and culturing human fibroblasts on these scaffolds. Cell growth morphology and adhesion were examined histologically. The results show that these blends can be assembled into porous three-dimensional structures by combining chemical cross-linking with freeze-drying. The achieved blend structures combine suitable porosity with a large pore size (100-300 µm). The pore structure in the soy-alginate scaffolds possesses adequate interconnectivity compared to that of the soy-gelatin scaffolds. However, porous structure was not observed for the soy-pectin blend, which presented a different structure with significantly lower porosities than all other groups. The in vitro evaluation of these porous soy blends demonstrated that soy-alginate blends are advantageous over soy-gelatin blends and exhibited adequate cytocompatibility along with better cell infiltration and stability. These soy protein scaffolds may be potentially useful as a cellular/acellular platform for skin regeneration applications. © The Author(s) 2015.

  5. Contaminant flow and transport simulation in cracked porous media using locally conservative schemes

    Song, Pu

    2012-10-25

    The purpose of this paper is to analyze some features of contaminant flow passing through cracked porous medium, such as the influence of fracture network on the advection and diffusion of contaminant species, the impact of adsorption on the overall transport of contaminant wastes. In order to precisely describe the whole process, we firstly build the mathematical model to simulate this problem numerically. Taking into consideration of the characteristics of contaminant flow, we employ two partial differential equations to formulate the whole problem. One is flow equation; the other is reactive transport equation. The first equation is used to describe the total flow of contaminant wastes, which is based on Darcy law. The second one will characterize the adsorption, diffusion and convection behavior of contaminant species, which describes most features of contaminant flow we are interested in. After the construction of numerical model, we apply locally conservative and compatible algorithms to solve this mathematical model. Specifically, we apply Mixed Finite Element (MFE) method to the flow equation and Discontinuous Galerkin (DG) method for the transport equation. MFE has a good convergence rate and numerical accuracy for Darcy velocity. DG is more flexible and can be used to deal with irregular meshes, as well as little numerical diffusion. With these two numerical means, we investigate the sensitivity analysis of different features of contaminant flow in our model, such as diffusion, permeability and fracture density. In particular, we study K d values which represent the distribution of contaminant wastes between the solid and liquid phases. We also make omparisons of two different schemes and discuss the advantages of both methods. © 2012 Global Science Press.

  6. In Vitro Corrosion Assessment of Additively Manufactured Porous NiTi Structures for Bone Fixation Applications

    Hamdy Ibrahim

    2018-03-01

    Full Text Available NiTi alloys possess distinct functional properties (i.e., shape memory effect and superelasticity and biocompatibility, making them appealing for bone fixation applications. Additive manufacturing offers an alternative method for fabricating NiTi parts, which are known to be very difficult to machine using conventional manufacturing methods. However, poor surface quality, and the presence of impurities and defects, are some of the major concerns associated with NiTi structures manufactured using additive manufacturing. The aim of this study is to assess the in vitro corrosion properties of additively manufactured NiTi structures. NiTi samples (bulk and porous were produced using selective laser melting (SLM, and their electrochemical corrosion characteristics and Ni ion release levels were measured and compared with conventionally fabricated NiTi parts. The additively manufactured NiTi structures were found to have electrochemical corrosion characteristics similar to those found for the conventionally fabricated NiTi alloy samples. The highest Ni ion release level was found in the case of 50% porous structures, which can be attributed to their significantly higher exposed surface area. However, the Ni ion release levels reported in this work for all the fabricated structures remain within the range of most of values for conventionally fabricated NiTi alloys reported in the literature. The results of this study suggest that the proposed SLM fabrication process does not result in a significant deterioration in the corrosion resistance of NiTi parts, making them suitable for bone fixation applications.

  7. Porous poly(vinyl alcohol)/sepiolite bone scaffolds: Preparation, structure and mechanical properties

    Killeen, Derek; Frydrych, Martin; Chen Biqiong

    2012-01-01

    Porous poly(vinyl alcohol) (PVA)/sepiolite nanocomposite scaffolds containing 0–10 wt.% sepiolite were prepared by freeze-drying and thermally crosslinked with poly(arylic acid). The microstructure of the obtained scaffolds was characterised by scanning electron microscopy and micro-computed tomography, which showed a ribbon and ladder like interconnected structure. The incorporation of sepiolite increased the mean pore size and porosity of the PVA scaffold as well as the degree of anisotropy due to its fibrous structure. The tensile strength, modulus and energy at break of the PVA solid material that constructed the scaffold were found to improve with additions of sepiolite by up to 104%, 331% and 22% for 6 wt.% clay. Such enhancements were attributed to the strong interactions between the PVA and sepiolite, the good dispersion of sepiolite nanofibres in the matrix and the intrinsic properties of the nanofibres. However, the tensile properties of the PVA scaffold deteriorated in the presence of sepiolite because of the higher porosity, pore size and degree of anisotropy. The PVA/sepiolite nanocomposite scaffold containing 6 wt.% sepiolite was characterised by an interconnected structure, a porosity of 89.5% and a mean pore size of 79 μm and exhibited a tensile strength of 0.44 MPa and modulus of 14.9 MPa, which demonstrates potential for this type of materials to be further developed as bone scaffolds. - Highlights: ► Novel PAA-crosslinked PVA/sepiolite nanocomposite scaffolds were prepared. ► They were highly porous with interconnected structures and exhibited good mechanical properties. ► The effects of sepiolite nanofibres on structure and properties of the scaffolds were investigated. ► Sepiolite nanofibres improved the mechanical properties of the solid material significantly.

  8. Numerical simulation of mechanisms of deformation,failure and energy dissipation in porous rock media subjected to wave stresses

    2010-01-01

    The pore characteristics,mineral compositions,physical and mechanical properties of the subarkose sandstones were acquired by means of CT scan,X-ray diffraction and physical tests.A few physical models possessing the same pore characteristics and matrix properties but different porosities compared to the natural sandstones were developed.The 3D finite element models of the rock media with varied porosities were established based on the CT image processing of the physical models and the MIMICS software platform.The failure processes of the porous rock media loaded by the split Hopkinson pressure bar(SHPB) were simulated by satisfying the elastic wave propagation theory.The dynamic responses,stress transition,deformation and failure mechanisms of the porous rock media subjected to the wave stresses were analyzed.It is shown that an explicit and quantitative analysis of the stress,strain and deformation and failure mechanisms of porous rocks under the wave stresses can be achieved by using the developed 3D finite element models.With applied wave stresses of certain amplitude and velocity,no evident pore deformation was observed for the rock media with a porosity less than 15%.The deformation is dominantly the combination of microplasticity(shear strain),cracking(tensile strain) of matrix and coalescence of the cracked regions around pores.Shear stresses lead to microplasticity,while tensile stresses result in cracking of the matrix.Cracking and coalescence of the matrix elements in the neighborhood of pores resulted from the high transverse tensile stress or tensile strain which exceeded the threshold values.The simulation results of stress wave propagation,deformation and failure mechanisms and energy dissipation in porous rock media were in good agreement with the physical tests.The present study provides a reference for analyzing the intrinsic mechanisms of the complex dynamic response,stress transit mode,deformation and failure mechanisms and the disaster

  9. Transforming waste biomass with an intrinsically porous network structure into porous nitrogen-doped graphene for highly efficient oxygen reduction.

    Zhou, Huang; Zhang, Jian; Amiinu, Ibrahim Saana; Zhang, Chenyu; Liu, Xiaobo; Tu, Wenmao; Pan, Mu; Mu, Shichun

    2016-04-21

    Porous nitrogen-doped graphene with a very high surface area (1152 m(2) g(-1)) is synthesized by a novel strategy using intrinsically porous biomass (soybean shells) as a carbon and nitrogen source via calcination and KOH activation. To redouble the oxygen reduction reaction (ORR) activity by tuning the doped-nitrogen content and type, ammonia (NH3) is injected during thermal treatment. Interestingly, this biomass-derived graphene catalyst exhibits the unique properties of mesoporosity and high pyridine-nitrogen content, which contribute to the excellent oxygen reduction performance. As a result, the onset and half-wave potentials of the new metal-free non-platinum catalyst reach -0.009 V and -0.202 V (vs. SCE), respectively, which is very close to the catalytic activity of the commercial Pt/C catalyst in alkaline media. Moreover, our catalyst has a higher ORR stability and stronger CO and CH3OH tolerance than Pt/C in alkaline media. Importantly, in acidic media, the catalyst also exhibits good ORR performance and higher ORR stability compared to Pt/C.

  10. Fabrication and excellent conductive performance of antimony-doped tin oxide-coated diatomite with porous structure

    Du Yucheng; Yan Jing; Meng Qi; Wang Jinshu; Dai Hongxing

    2012-01-01

    Graphical abstract: Antimony-doped tin oxide (ATO)-coated diatomite with porous structures are fabricated using the co-precipitation method. The porous ATO-coated diatomite material shows excellent conductive performance. Highlights: ► Sb-doped SnO 2 (ATO)-coated diatomite materials with porous structures are prepared. ► Sn/Sb ratio, ATO coating amount, pH value, and temperature influence resistivity. ► Porous ATO-coated diatomite materials show excellent conductive performance. ► The lowest resistivity of the porous ATO-coated diatomite sample is 10 Ω cm. - Abstract: Diatomite materials coated with antimony-doped tin oxide (ATO) were prepared by the co-precipitation method, and characterized by means of the techniques, such as X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, selected-area electron diffraction, X-ray fluorescence spectroscopy, and N 2 adsorption–desorption measurement. It was shown that the coated ATO possessed a tetragonal rutile crystal structure, and the ATO-coated diatomite materials had a multi-pore (micro- meso-, and macropores) architecture. The porous ATO-coated diatomite materials exhibited excellent electrical conductive behaviors. The best conductive performance (volume resistivity = 10 Ω cm) was achieved for the sample that was prepared under the conditions of Sn/Sb molar ratio = 5.2, Sn/Sb coating amount = 45 wt%, pH = 1.0, and reaction temperature = 50 °C. Such a conductive porous material is useful for the applications in physical and chemical fields.

  11. Fabrication and excellent conductive performance of antimony-doped tin oxide-coated diatomite with porous structure

    Du Yucheng, E-mail: ychengdu@bjut.edu.cn [Key Lab of Advanced Functional Materials, Ministry of Education, College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124 (China); Yan Jing; Meng Qi; Wang Jinshu [Key Lab of Advanced Functional Materials, Ministry of Education, College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124 (China); Dai Hongxing, E-mail: hxdai@bjut.edu.cn [Laboratory of Catalysis Chemistry and Nanoscience, Department of Chemistry and Chemical Engineering, College of Environmental and Energy Engineering, Beijing University of Technology, Beijing 100124 (China)

    2012-04-16

    Graphical abstract: Antimony-doped tin oxide (ATO)-coated diatomite with porous structures are fabricated using the co-precipitation method. The porous ATO-coated diatomite material shows excellent conductive performance. Highlights: Black-Right-Pointing-Pointer Sb-doped SnO{sub 2} (ATO)-coated diatomite materials with porous structures are prepared. Black-Right-Pointing-Pointer Sn/Sb ratio, ATO coating amount, pH value, and temperature influence resistivity. Black-Right-Pointing-Pointer Porous ATO-coated diatomite materials show excellent conductive performance. Black-Right-Pointing-Pointer The lowest resistivity of the porous ATO-coated diatomite sample is 10 {Omega} cm. - Abstract: Diatomite materials coated with antimony-doped tin oxide (ATO) were prepared by the co-precipitation method, and characterized by means of the techniques, such as X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, selected-area electron diffraction, X-ray fluorescence spectroscopy, and N{sub 2} adsorption-desorption measurement. It was shown that the coated ATO possessed a tetragonal rutile crystal structure, and the ATO-coated diatomite materials had a multi-pore (micro- meso-, and macropores) architecture. The porous ATO-coated diatomite materials exhibited excellent electrical conductive behaviors. The best conductive performance (volume resistivity = 10 {Omega} cm) was achieved for the sample that was prepared under the conditions of Sn/Sb molar ratio = 5.2, Sn/Sb coating amount = 45 wt%, pH = 1.0, and reaction temperature = 50 Degree-Sign C. Such a conductive porous material is useful for the applications in physical and chemical fields.

  12. Measurement of creatinine in human plasma using a functional porous polymer structure sensing motif

    Nanda, Sitansu Sekhar; An, Seong Soo A; Yi, Dong Kee

    2015-01-01

    In this study, a new method for detecting creatinine was developed. This novel sensor comprised of two ionic liquids, poly-lactic-co-glycolic acid (PLGA) and 1-butyl-3-methylimidazolium (BMIM) chloride, in the presence of 2′,7′-dichlorofluorescein diacetate (DCFH-DA). PLGA and BMIM chloride formed a functional porous polymer structure (FPPS)-like structure. Creatinine within the FPPS rapidly hydrolyzed and released OH−, which in turn converted DCFH-DA to DCFH, developing an intense green color or green fluorescence. The conversion of DCFH to DCF+ resulted in swelling of FPPS and increased solubility. This DCF+-based sensor could detect creatinine levels with detection limit of 5 µM and also measure the creatinine in blood. This novel method could be used in diagnostic applications for monitoring individuals with renal dysfunction. PMID:26347475

  13. Pore-Fractal Structure in Porous Carbons Made from Corn and Wheat

    Kapoor, Y. M.; Schmidt, P. W.; Rice, Randall D.; Shulse, Laural; Voss, D. J.; Venkatraman, A.; Fan, L. T.; Walawender, W. P.; Rieker, T. P.

    1998-03-01

    Small-angle X-ray scattering has been used in a study of the pore structure of some porous and activated carbons on length scales between about 5 and 10^4 ÅThe carbons were obtained by pyrolysis and activation of wheat and American corn (maize). The scattering data showed that in each carbon there are at least two of the following four types of pores: (1) pores with diameters of at least 10^4 Åpores with smooth or fractal surfaces and diameters of at least 5 x 10^3 Åpore-fractals with diameters of no more than about 10^3 Åand (4) pores with diameters no larger than 100 ÅThe relation between the pore structure and the procedure used to obtain the carbon and will be discussed.

  14. THE INFLUENCE OF BINDING MATERIAL ON POROUS STRUCTURE OF SHAPED HOPCALITE

    N.K. Kulikov

    2008-06-01

    Full Text Available The authors have investigated the equilibrated adsorption of water vapors on GFG hopcalite, which was obtained using the extrusion shaping method, with bentonite clay as the binding compound. In the frames of the BET model, the values of the monolayer capacity and the size of medium area occupied by the water molecule in the filled monolayer have been determined. The distribution of pores according to their sizes has been evaluated. It has been established that the modification of the bentonitic clay allows directed construction of the hopcalite porous structure,i.e. the formation of the mesoporous structure with a narrow distribution of the pores capacities by sizes, which was achieved varying the sizes of binding compound particles.

  15. Rn3D: A finite element code for simulating gas flow and radon transport in variably saturated, nonisothermal porous media

    Holford, D.J.

    1994-01-01

    This document is a user's manual for the Rn3D finite element code. Rn3D was developed to simulate gas flow and radon transport in variably saturated, nonisothermal porous media. The Rn3D model is applicable to a wide range of problems involving radon transport in soil because it can simulate either steady-state or transient flow and transport in one-, two- or three-dimensions (including radially symmetric two-dimensional problems). The porous materials may be heterogeneous and anisotropic. This manual describes all pertinent mathematics related to the governing, boundary, and constitutive equations of the model, as well as the development of the finite element equations used in the code. Instructions are given for constructing Rn3D input files and executing the code, as well as a description of all output files generated by the code. Five verification problems are given that test various aspects of code operation, complete with example input files, FORTRAN programs for the respective analytical solutions, and plots of model results. An example simulation is presented to illustrate the type of problem Rn3D is designed to solve. Finally, instructions are given on how to convert Rn3D to simulate systems other than radon, air, and water

  16. The chiral structure of porous chitin within the wing-scales of Callophrys rubi.

    Schröder-Turk, G E; Wickham, S; Averdunk, H; Brink, F; Fitz Gerald, J D; Poladian, L; Large, M C J; Hyde, S T

    2011-05-01

    The structure of the porous three-dimensional reticulated pattern in the wing scales of the butterfly Callophrys rubi (the Green Hairstreak) is explored in detail, via scanning and transmission electron microscopy. A full 3D tomographic reconstruction of a section of this material reveals that the predominantly chitin material is assembled in the wing scale to form a structure whose geometry bears a remarkable correspondence to the srs net, well-known in solid state chemistry and soft materials science. The porous solid is bounded to an excellent approximation by a parallel surface to the Gyroid, a three-periodic minimal surface with cubic crystallographic symmetry I4₁32, as foreshadowed by Stavenga and Michielson. The scale of the structure is commensurate with the wavelength of visible light, with an edge of the conventional cubic unit cell of the parallel-Gyroid of approximately 310 nm. The genesis of this structure is discussed, and we suggest it affords a remarkable example of templating of a chiral material via soft matter, analogous to the formation of mesoporous silica via surfactant assemblies in solution. In the butterfly, the templating is achieved by the lipid-protein membranes within the smooth endoplasmic reticulum (while it remains in the chrysalis), that likely form cubic membranes, folded according to the form of the Gyroid. The subsequent formation of the chiral hard chitin framework is suggested to be driven by the gradual polymerisation of the chitin precursors, whose inherent chiral assembly in solution (during growth) promotes the formation of a single enantiomer. Copyright © 2011 Elsevier Inc. All rights reserved.

  17. The porous carbon derived from water hyacinth with well-designed hierarchical structure for supercapacitors

    Zheng, Kaiwen; Li, Yuanyuan; Zhu, Ming; Yu, Xi; Zhang, Mengyan; Shi, Ling; Cheng, Jue

    2017-10-01

    A hierarchical porous water hyacinth-derived carbon (WHC) is fabricated by pre-carbonization and KOH activation for supercapacitors. The physicochemical properties of WHC are researched by scanning electron microscopy (SEM), N2 adsorption-desorption measurements, X-ray diffraction (XRD), Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). The results indicate that WHC exhibits hierarchical porous structure and high specific surface area of 2276 m2/g. And the electrochemical properties of WHC are studied by cyclic voltammetry (CV), galvanostatic charge-discharge and electrochemical impedance spectroscopy (EIS) tests. In a three-electrode test system, WHC shows considerable specific capacitance of 344.9 F/g at a current density of 0.5 A/g, good rate performance with 225.8 F/g even at a current density of 30 A/g, and good cycle stability with 95% of the capacitance retention after 10000 cycles of charge-discharge at a current density of 5 A/g. Moreover, WHC cell delivers an energy density of 23.8 Wh/kg at 0.5 A/g and a power density of 15.7 kW/kg at 10 A/g. Thus, using water hyacinth as carbon source to fabricate supercapacitors electrodes is a promising approach for developing inexpensive, sustainable and high-performance carbon materials. Additionally, this study supports the sustainable development and the control of biological invasion.

  18. Scattering of ultrasonic waves from porous piezoelectric multilayered structures immersed in a fluid

    Vashishth, Anil K; Gupta, Vishakha

    2012-01-01

    The interest in porous piezoelectric materials is due to the demand for low-frequency hydrophone/actuator devices for use in underwater acoustic systems and other oceanographic applications. Porosity decreases the acoustic impedance, thus improving the transfer of acoustic energy to water or biological tissues. The impedance mismatching problem between the dense piezoelectric materials and the surrounding medium can be solved by inclusion of porosity in dense piezoceramics. The complete description of acoustic propagation in a multilayered system is of great interest in a variety of applications, such as non-destructive evaluation and acoustic design, and there is need for a flexible model that can describe the reflection and transmission of ultrasonic waves in these media. The present paper elaborates a theoretical model, based on the transfer matrix method, for describing reflection and transmission of plane elastic waves through a porous piezoelectric laminated plate, immersed in a fluid. The analytical expressions for the reflection coefficient, transmission coefficient and acoustic impedance are derived. The effects of frequency, angle of incidence, number of layers, layer thickness and porosity are observed numerically for different configurations. The results obtained are deduced for the piezoelectric laminated structure, piezoelectric layer and poro-elastic layer immersed in a fluid, which are in agreement with earlier established results and experimental studies. (paper)

  19. Preparation and structure of porous dielectrics by plasma enhanced chemical vapor deposition

    Gates, S. M.; Neumayer, D. A.; Sherwood, M. H.; Grill, A.; Wang, X.; Sankarapandian, M.

    2007-01-01

    The preparation of ultralow dielectric constant porous silicon, carbon, oxygen, hydrogen alloy dielectrics, called 'pSiCOH', using a production 200 mm plasma enhanced chemical vapor deposition tool and a thermal treatment is reported here. The effect of deposition temperature on the pSiCOH film is examined using Fourier transform infrared (FTIR) spectroscopy, dielectric constant (k), and film shrinkage measurements. For all deposition temperatures, carbon in the final porous film is shown to be predominantly Si-CH 3 species, and lower k is shown to correlate with increased concentration of Si-CH 3 . NMR and FTIR spectroscopies clearly detect the loss of a removable, unstable, hydrocarbon (CH x ) phase during the thermal treatment. Also detected are increased cross-linking of the Si-O skeleton, and concentration changes for three distinct structures of carbon. In the as deposited films, deposition temperature also affects the hydrocarbon (CH x ) content and the presence of C=O and C=C functional groups

  20. Effect of aging and alkali activator on the porous structure of a geo-polymer

    Steins, Prune; Poulesquen, Arnaud; Frizon, Fabien; Lambertin, David; Jestin, Jacques; Rossignol, Sylvie

    2014-01-01

    Nitrogen sorption and small- and wide-angle X-ray and neutron scattering techniques were used to study the porous structure of geo-polymers, inorganic polymers synthesized by reaction of a strongly alkaline solution and an aluminosilicate source (metakaolin). The effects of aging and the use of alkali activators (Na"+, K"+) of different sizes were investigated at room temperature. The influence of aging time on the microstructure of both geo-polymer matrixes was verified in terms of pore volume and specific surface area. The results suggested a refinement of the porosity and therefore a reduction in the pore volume over time. Regardless of the age considered, some characteristics of the porous network such as pore size, shape and distribution depend on the alkali activator used. Whatever the technique considered, the potassium geo-polymer has a greater specific surface area than the sodium geo-polymer. According to the scattering results, the refinement of the porosity can be associated with, first, a densification of the solid network and, secondly, a partial closure of the porosity at the nanometer scale. The kinetics are much slower for the sodium geo-polymer than for the potassium geo-polymer in the six months of observation. (authors)

  1. Assembly of core–shell structured porous carbon–graphene composites as anode materials for lithium-ion batteries

    Guo, Rong; Zhao, Li; Yue, Wenbo

    2015-01-01

    As potential anode materials for lithium-ion batteries, mesoporous carbons such as CMK-3 and CMK-8 usually show stable cycling performances but only slightly higher reversible capacities than commercial graphite. Graphene has much higher theoretical capacity than that of graphite in theory. However, its electrochemical behavior is not as good as expected due to the aggregation of graphene nanosheets. Herein we describe a novel strategy for the preparation of core–shell structured porous carbon–graphene composites. Compared to pure porous carbons or pure graphene nanosheets, these novel composites exhibit superior electrochemical performances including higher reversible capacities and better cycle/rate performances. This core–shell structure can avoid the aggregation of graphene nanosheets as well as may stabilize the mesostructure of porous carbon, which is beneficial to improving the electrochemical performances of the composites

  2. Gas adsorption in Mg-porphyrin-based porous organic frameworks: A computational simulation by first-principles derived force field.

    Pang, Yujia; Li, Wenliang; Zhang, Jingping

    2017-09-15

    A novel type of porous organic frameworks, based on Mg-porphyrin, with diamond-like topology, named POF-Mgs is computationally designed, and the gas uptakes of CO 2 , H 2 , N 2 , and H 2 O in POF-Mgs are investigated by Grand canonical Monte Carlo simulations based on first-principles derived force fields (FF). The FF, which describes the interactions between POF-Mgs and gases, are fitted by dispersion corrected double-hybrid density functional theory, B2PLYP-D3. The good agreement between the obtained FF and the first-principle energies data confirms the reliability of the FF. Furthermore our simulation shows the presence of a small amount of H 2 O (≤ 0.01 kPa) does not much affect the adsorption quantity of CO 2 , but the presence of higher partial pressure of H 2 O (≥ 0.1 kPa) results in the CO 2 adsorption decrease significantly. The good performance of POF-Mgs in the simulation inspires us to design novel porous materials experimentally for gas adsorption and purification. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  3. Light Absorption Enhancement of Silicon-Based Photovoltaic Devices with Multiple Bandgap Structures of Porous Silicon

    Kuen-Hsien Wu

    2015-09-01

    Full Text Available Porous-silicon (PS multi-layered structures with three stacked PS layers of different porosity were prepared on silicon (Si substrates by successively tuning the electrochemical-etching parameters in an anodization process. The three PS layers have different optical bandgap energy and construct a triple-layered PS (TLPS structure with multiple bandgap energy. Photovoltaic devices were fabricated by depositing aluminum electrodes of Schottky contacts on the surfaces of the developed TLPS structures. The TLPS-based devices exhibit broadband photoresponses within the spectrum of the solar irradiation and get high photocurrent for the incident light of a tungsten lamp. The improved spectral responses of devices are owing to the multi-bandgap structures of TLPS, which are designed with a layered configuration analog to a tandem cell for absorbing a wider energy range of the incidental sun light. The large photocurrent is mainly ascribed to an enhanced light-absorption ability as a result of applying nanoporous-Si thin films as the surface layers to absorb the short-wavelength light and to improve the Schottky contacts of devices. Experimental results reveal that the multi-bandgap PS structures produced from electrochemical-etching of Si wafers are potentially promising for development of highly efficient Si-based solar cells.

  4. Multiscale network model for simulating liquid water and water vapour transfer properties of porous materials

    Carmeliet, J.; Descamps, F.; Houvenaghel, G.

    1999-01-01

    A multiscale network model is presented to model unsaturated moisture transfer in hygroscopic capillary-porous materials showing a broad pore-size distribution. Both capillary effects and water sorption phenomena, water vapour and liquid water transfer are considered. The multiscale approach is

  5. Multilayer photosensitive structures based on porous silicon and rare-earth-element compounds: Study of spectral characteristics

    Kirsanov, N. Yu.; Latukhina, N. V., E-mail: natalat@yandex.ru; Lizunkova, D. A.; Rogozhina, G. A. [Samara National Research University (Russian Federation); Stepikhova, M. V. [Russian Academy of Sciences, Institute for Physics of Microstructures (Russian Federation)

    2017-03-15

    The spectral characteristics of the specular reflectance, photosensitivity, and photoluminescence (PL) of multilayer structures based on porous silicon with rare-earth-element (REE) ions are investigated. It is shown that the photosensitivity of these structures in the wavelength range of 0.4–1.0 μm is higher than in structures free of REEs. The structures with Er{sup 3+} ions exhibit a luminescence response at room temperature in the spectral range from 1.1 to 1.7 μm. The PL spectrum of the erbium impurity is characterized by a fine line structure, which is determined by the splitting of the {sup 4}I{sub 15/2} multiplet of the Er{sup 3+} ion. It is shown that the structures with a porous layer on the working surface have a much lower reflectance in the entire spectral range under study (0.2–1.0 μm).

  6. Interaction of a tin-based capillary porous structure with ITER/DEMO relevant plasma conditions

    Morgan, T.W., E-mail: t.w.morgan@differ.nl; Bekerom, D.C.M. van den; De Temmerman, G.

    2015-08-15

    Sn filled capillary porous structures were exposed to high flux low temperature plasma conditions at the Pilot-PSI linear device. Enhanced erosion above that expected classically was investigated via spectroscopic observation of Sn{sup 0} emission from the plasma in front of the target surface while the surface temperature was monitored by both thermography and pyrometry. An anomalous erosion flux was observed as temperature increases, with onset for this occurrence varying strongly between different ion species. The results appear incompatible with existing ‘adatom’ models for the anomalous erosion flux. Further targets were exposed in turn to increasing heat fluxes and the heat removed determined from cooling water calorimetry, which was then compared to a solid Mo reference target. At high powers the total energy of the cooling water is reduced, indicating a shielding of the surface from the plasma heat flux by the vapour cloud in front.

  7. The structural properties of flower-like ZnO nanostructures on porous silicon

    Eswar, Kevin Alvin; Suhaimi, Mohd Husairi Fadzillah; Guliling, Muliyadi; Mohamad, Maryam; Khusaimi, Zuraida; Rusop, M.; Abdullah, Saifollah

    2018-05-01

    The flower-like zinc oxide (ZnO) were successfully synthesized on porous silicon (PSi) via hydrothermal method. The characteristic of ZnO nanostructures was investigated using field emission scanning microscopy (FESEM) and X-ray diffraction (X-Ray). The FESEM images show the flower-like ZnO nanostructures composed ZnO nanoparticles. The X-ray diffraction shows that strong intensity of (100), (002) and (101) peaks. The structural analysis revealed that the peaks angles were shifted due to the stress or imperfection of the crystalline of ZnO nanostructures. The crystalline sizes in range of 42.60 to 54.09 nm were produced.

  8. Photonic band gap structure simulator

    Chen, Chiping; Shapiro, Michael A.; Smirnova, Evgenya I.; Temkin, Richard J.; Sirigiri, Jagadishwar R.

    2006-10-03

    A system and method for designing photonic band gap structures. The system and method provide a user with the capability to produce a model of a two-dimensional array of conductors corresponding to a unit cell. The model involves a linear equation. Boundary conditions representative of conditions at the boundary of the unit cell are applied to a solution of the Helmholtz equation defined for the unit cell. The linear equation can be approximated by a Hermitian matrix. An eigenvalue of the Helmholtz equation is calculated. One computation approach involves calculating finite differences. The model can include a symmetry element, such as a center of inversion, a rotation axis, and a mirror plane. A graphical user interface is provided for the user's convenience. A display is provided to display to a user the calculated eigenvalue, corresponding to a photonic energy level in the Brilloin zone of the unit cell.

  9. Characterization of the porous structures of the green body and sintered biomedical titanium scaffolds with micro-computed tomography

    Arifvianto, B., E-mail: b.arifvianto@tudelft.nl; Leeflang, M.A.; Zhou, J.

    2016-11-15

    The present research was aimed at gaining an understanding of the porous structure changes from the green body through water leaching and sintering to titanium scaffolds. Micro-computed tomography (micro-CT) was performed to generate 3D models of titanium scaffold preforms containing carbamide space-holding particles and sintered scaffolds containing macro- and micro-pores. The porosity values and structural parameters were determined by means of image analysis. The result showed that the porosity values, macro-pore sizes, connectivity densities and specific surface areas of the titanium scaffolds sintered at 1200 °C for 3 h did not significantly deviate from those of the green structures with various volume fractions of the space holder. Titanium scaffolds with a maximum specific surface area could be produced with an addition of 60–65 vol% carbamide particles to the matrix powder. The connectivity of pores inside the scaffold increased with rising volume fraction of the space holder. The shrinkage of the scaffolds prepared with > 50 vol% carbamide space holder, occurring during sintering, was caused by the reductions of macro-pore sizes and micro-pore sizes as well as the thickness of struts. In conclusion, the final porous structural characteristics of titanium scaffolds could be estimated from those of the green body. - Highlights: •Porous structures of green body and sintered titanium scaffolds was studied. •Porous structures of both samples were quantitatively characterized with micro-CT. •Porous structures of scaffolds could be controlled from the green body. •Shrinkage mechanisms of titanium scaffolds during sintering was established.

  10. Evaluation of structural reliability using simulation methods

    Baballëku Markel

    2015-01-01

    Full Text Available Eurocode describes the 'index of reliability' as a measure of structural reliability, related to the 'probability of failure'. This paper is focused on the assessment of this index for a reinforced concrete bridge pier. It is rare to explicitly use reliability concepts for design of structures, but the problems of structural engineering are better known through them. Some of the main methods for the estimation of the probability of failure are the exact analytical integration, numerical integration, approximate analytical methods and simulation methods. Monte Carlo Simulation is used in this paper, because it offers a very good tool for the estimation of probability in multivariate functions. Complicated probability and statistics problems are solved through computer aided simulations of a large number of tests. The procedures of structural reliability assessment for the bridge pier and the comparison with the partial factor method of the Eurocodes have been demonstrated in this paper.

  11. Track-structure simulations for charged particles.

    Dingfelder, Michael

    2012-11-01

    Monte Carlo track-structure simulations provide a detailed and accurate picture of radiation transport of charged particles through condensed matter of biological interest. Liquid water serves as a surrogate for soft tissue and is used in most Monte Carlo track-structure codes. Basic theories of radiation transport and track-structure simulations are discussed and differences compared to condensed history codes highlighted. Interaction cross sections for electrons, protons, alpha particles, and light and heavy ions are required input data for track-structure simulations. Different calculation methods, including the plane-wave Born approximation, the dielectric theory, and semi-empirical approaches are presented using liquid water as a target. Low-energy electron transport and light ion transport are discussed as areas of special interest.

  12. An experimental simulation study of debris quenching in a radially stratified porous bed

    Sehgal, B.R.; Nayak, A.K.; Stepanyan, A.

    2004-01-01

    During a severe accident condition in a nuclear power plant, the core melt can fail the reactor vessel and relocate into the containment basement. In some accident management schemes, the vessel cavity is flooded with water. For these a particulate debris bed is likely to form on the cavity floor due to melt break-up in water. . In this situation, the coolability of debris bed on the containment floor is a crucial issue. This is because the debris bed still generates the decay heat and if it is uncoolable, it can eventually remelt and react with concrete basement generating a lot of noncondensable gases and pressurising the containment. Hence, it is important to cool the debris bed as an accident management programme. The main parameters affecting the coolability of the debris bed are its porosity which is a function of the size and shape of the particles which constitute the debris bed, the operating condition such as water flooding from the top or bottom of debris bed, water temperature and non-condensable gas generated during bed-concrete interactions. It is found from previous studies that the debris bed has a non-uniform particle distribution or a porosity stratification. This can happen both in radial and axial plane. For example, the bed can have a lower porosity at the centre and higher porosity at the periphery. It is of interest to investigate the quenching phenomena in such configurations so as to find an effective means of quenching the heat generating bed. While most of the previous investigations mainly concentrate on quenching of a homogenous or axially stratified particulate bed with volumetric heat generation, there are almost no studies on the above phenomena in a radially stratified porous bed. So the objective of this paper is to investigate the quenching phenomena in a radially stratified bed. To simulate the phenomena, we conducted experiments in an experimental facility named as POMECO (POrous MEdia COolability). The facility has a square

  13. Development of RWHet to Simulate Contaminant Transport in Fractured Porous Media

    Zhang, Yong; LaBolle, Eric; Reeves, Donald M; Russell, Charles

    2012-07-01

    Accurate simulation of matrix diffusion in regional-scale dual-porosity and dual-permeability media is a critical issue for the DOE Underground Test Area (UGTA) program, given the prevalence of fractured geologic media on the Nevada National Security Site (NNSS). Contaminant transport through regional-scale fractured media is typically quantified by particle-tracking based Lagrangian solvers through the inclusion of dual-domain mass transfer algorithms that probabilistically determine particle transfer between fractures and unfractured matrix blocks. UGTA applications include a wide variety of fracture aperture and spacing, effective diffusion coefficients ranging four orders of magnitude, and extreme end member retardation values. This report incorporates the current dual-domain mass transfer algorithms into the well-known particle tracking code RWHet [LaBolle, 2006], and then tests and evaluates the updated code. We also develop and test a direct numerical simulation (DNS) approach to replace the classical transfer probability method in characterizing particle dynamics across the fracture/matrix interface. The final goal of this work is to implement the algorithm identified as most efficient and effective into RWHet, so that an accurate and computationally efficient software suite can be built for dual-porosity/dual-permeability applications. RWHet is a mature Lagrangian transport simulator with a substantial user-base that has undergone significant development and model validation. In this report, we also substantially tested the capability of RWHet in simulating passive and reactive tracer transport through regional-scale, heterogeneous media. Four dual-domain mass transfer methodologies were considered in this work. We first developed the empirical transfer probability approach proposed by Liu et al. [2000], and coded it into RWHet. The particle transfer probability from one continuum to the other is proportional to the ratio of the mass entering the other

  14. Poly(vinyl alcohol)/cellulose nanofibril hybrid aerogels with an aligned microtubular porous structure and their composites with polydimethylsiloxane

    Tianliang Zhai; Qifeng Zheng; Zhiyong Cai; Lih-Sheng Turng; Hesheng Xia; Shaoqin Gong

    2015-01-01

    Superhydrophobic poly(vinyl alcohol) (PVA)/ cellulose nanofibril (CNF) aerogels with a unidirectionally aligned microtubular porous structure were prepared using a unidirectional freeze-drying process, followed by the thermal chemical vapor deposition of methyltrichlorosilane. The silanized aerogels were characterized using various techniques including scanning...

  15. Morphologies and wetting properties of copper film with 3D porous micro-nano hierarchical structure prepared by electrochemical deposition

    Wang, Hongbin; Wang, Ning; Hang, Tao; Li, Ming

    2016-01-01

    Highlights: • A 3D porous micro-nano hierarchical structure Cu films were prepared. • The evolution of morphology and wettability with deposition time was reported. • The effects of EDA on the microscopic morphology were revealed. • A high contact angle of 162.1° was measured when deposition time is 5 s. • The mechanism of super-hydrophobicity was illustrated by two classical models. - Abstract: Three-dimensional porous micro-nano hierarchical structure Cu films were prepared by electrochemical deposition with the Hydrogen bubble dynamic template. The morphologies of the deposited films characterized by Scanning Electronic Microscopy (SEM) exhibit a porous micro-nano hierarchical structure, which consists of three levels in different size scales, namely the honeycomb-like microstructure, the dendritic substructure and the nano particles. Besides, the factors which influenced the microscopic morphology were studied, including the deposition time and the additive Ethylene diamine. By measuring the water contact angle, the porous copper films were found to be super-hydrophobic. The maximum of the contact angles could reach as high as 162.1°. An empirical correlation between morphologies and wetting properties was revealed for the first time. The pore diameter increased simultaneously with the deposition time while the contact angle decreased. The mechanism was illustrated by two classical models. Such super-hydrophobic three-dimensional hierarchical micro-nano structure is expected to have practical application in industry.

  16. Porous calcium polyphosphate bone substitutes: additive manufacturing versus conventional gravity sinter processing-effect on structure and mechanical properties.

    Hu, Youxin; Shanjani, Yaser; Toyserkani, Ehsan; Grynpas, Marc; Wang, Rizhi; Pilliar, Robert

    2014-02-01

    Porous calcium polyphosphate (CPP) structures proposed as bone-substitute implants and made by sintering CPP powders to form bending test samples of approximately 35 vol % porosity were machined from preformed blocks made either by additive manufacturing (AM) or conventional gravity sintering (CS) methods and the structure and mechanical characteristics of samples so made were compared. AM-made samples displayed higher bending strengths (≈1.2-1.4 times greater than CS-made samples), whereas elastic constant (i.e., effective elastic modulus of the porous structures) that is determined by material elastic modulus and structural geometry of the samples was ≈1.9-2.3 times greater for AM-made samples. X-ray diffraction analysis showed that samples made by either method displayed the same crystal structure forming β-CPP after sinter annealing. The material elastic modulus, E, determined using nanoindentation tests also showed the same value for both sample types (i.e., E ≈ 64 GPa). Examination of the porous structures indicated that significantly larger sinter necks resulted in the AM-made samples which presumably resulted in the higher mechanical properties. The development of mechanical properties was attributed to the different sinter anneal procedures required to make 35 vol % porous samples by the two methods. A primary objective of the present study, in addition to reporting on bending strength and sample stiffness (elastic constant) characteristics, was to determine why the two processes resulted in the observed mechanical property differences for samples of equivalent volume percentage of porosity. An understanding of the fundamental reason(s) for the observed effect is considered important for developing improved processes for preparation of porous CPP implants as bone substitutes for use in high load-bearing skeletal sites. Copyright © 2013 Wiley Periodicals, Inc.

  17. Quasi-periodic Fibonacci and periodic one-dimensional hypersonic phononic crystals of porous silicon: Experiment and simulation

    Aliev, Gazi N., E-mail: g.aliev@bath.ac.uk; Goller, Bernhard [Department of Physics, University of Bath, Bath BA2 7AY (United Kingdom)

    2014-09-07

    A one-dimensional Fibonacci phononic crystal and a distributed Bragg reflector were constructed from porous silicon. The structures had the same number of layers and similar acoustic impedance mismatch, and were electrochemically etched in highly boron doped silicon wafers. The thickness of the individual layers in the stacks was approximately 2 μm. Both types of hypersonic band gap structure were studied by direct measurement of the transmittance of longitudinal acoustic waves in the 0.1–2.6 GHz range. Acoustic band gaps deeper than 50 dB were detected in both structures. The experimental results were compared with model calculations employing the transfer matrix method. The acoustic properties of periodic and quasi-periodic structures in which half-wave retarding bi-layers do not consist of two quarter-wave retarding layers are discussed. The strong correlation between width and depth of gaps in the transmission spectra is demonstrated. The dominant mechanisms of acoustic losses in porous multilayer structures are discussed. The elastic constants remain proportional over our range of porosity, and hence, the Grüneisen parameter is constant. This simplifies the expression for the porosity dependence of the Akhiezer damping.

  18. Dual-energy X-ray absorptiometry for the simultaneous determination of Density and Moisture Content in Porous Structural Materials

    Hansen, Kurt Kielsgaard; Jensen, Signe Kamp; Gerward, Leif

    1999-01-01

    The paper describes the dual-energy x-ray equipment, which consists of a x-ray source, filters and a detector. The x-ray beam can be moved automatically in two dimensions relative to a fixed specimen. The purpose of the equipment is to measure simultaneously the density and moisture content...... in porous materials relevant for the building industry. The theory of dual-energy x-ray absorptiometry (DEXA) is presented. DEXA results on two combinations of aluminium and acrylic plastic are compared with corresponding values calculated from the geometry of the experimental setup. The results from the x......-ray measurements show good agreement with results from the two standard materials which imitate water in a porous material. On this background the dual-energy x-ray absorptiometry measurement principle can be used on porous structural materials....

  19. Parallel simulation of two-phase incompressible and immiscible flows in porous media using a finite volume formulation and a modified IMPES approach

    Da Silva, R S; De Carvalho, D K E; Antunes, A R E; Lyra, P R M; Willmersdorf, R B

    2010-01-01

    In this paper a finite volume method with a 'Modified Implicit Pressure, Explicit Saturation' (MIMPES) approach is used to model the 3-D incompressible and immiscible two-phase flow of water and oil in heterogeneous and anisotropic porous media. A vertex centered finite volume method with an edge-based data structure is adopted to discretize both the elliptic pressure and the hyperbolic saturation equations using parallel computers with distributed memory. Due to the explicit solution of the saturation equation in the IMPES method, severe time step restrictions are imposed on the simulation. In order to circumvent this problem, an edge-based implementation of the MIMPES method was used. In this method, the pressure equation is solved and the velocity field is computed much less frequently than the saturation field. Following the work of Hurtado, a mean relative variation of the velocity field throughout the simulation is used to automatically control the updating process, allowing for much larger time-steps in a very simple way. In order to run large scale problems, we have developed a parallel implementation using clusters of PC's. The simulator uses open source parallel libraries like FMDB, ParMetis and PETSc. Results of speed-up and efficiency are presented to validate the performance of the parallel simulator.

  20. Improved osteoblasts growth on osteomimetic hydroxyapatite/BaTiO_3 composites with aligned lamellar porous structure

    Liu, Beilei; Chen, Liangjian; Shao, Chunsheng; Zhang, Fuqiang; Zhou, Kechao; Cao, Jun; Zhang, Dou

    2016-01-01

    Osteoblasts growing into bone substitute is an important step of bone regeneration. This study prepared porous hydroxyapatite (HA)/BaTiO_3 piezoelectric composites with porosity of 40%, 50% and 60% by ice-templating method. Effects of HA/BaTiO_3 composites with different porosities, with and without polarizing treatment on adhesion, proliferation and differentiation of osteoblasts were investigated in vitro. Results revealed that cell densities of the porous groups were significantly higher than those of the dense group (p 0.05). The absence of mechanical loading on the polarized samples may account for this. The results indicated that hierarchically porous HA/BaTiO_3 played a favorable part in osteoblasts proliferation, differentiation and adhesion process and is a promising bone substitute material. - Graphical abstract: Aligned porous structure of HA/BaTiO_3 piezoelectric composites prepared by ice-templating method was similar to the lamellar Haversian system in bone tissue. When co-cultured with human osteosarcoma cells (MG63), porous HA/BaTiO_3 composites exhibited remarkable biological activity in promoting proliferation, differentiation and adhesion of MG63 cells. - Highlights: • The aligned porous structure of HA/BaTiO_3 composite was similar to the lamellar Haversian system in bone tissue. • The piezoelectric d_3_3 coefficient of HA/BaTiO_3 with porosity of 50% was 5.0 pC/N, much higher than that of natural bone. • HA/BaTiO_3 with porosity of 50% promoted proliferation, differentiation and adhesion of MG63 cells remarkably.

  1. A Conductive Porous Structured Chitosan-grafted Polyaniline Cryogel for use as a Sialic Acid Biosensor

    Fatoni, Amin; Numnuam, Apon; Kanatharana, Proespichaya; Limbut, Warakorn; Thavarungkul, Panote

    2014-01-01

    Highlights: • A novel chitosan grafted polyaniline cryogel was used as support for a highly stable and sensitive biosensor. • The use of two enzymes mediated with ferrocene showed a high selectivity for sialic acid. • The biosensor provided a rapid sialic acid detection in blood. - Abstract: A porous conductive supporting material base on chitosan grafted polyaniline (CPANI) cryogel was developed for the fabrication of a sialic acid biosensor. Two enzymes, N-acetylneuraminic acid aldolase (NAL) and pyruvate oxidase (PYO), were employed together with an electrochemical detector. The electron transfer was further enhanced by using multiwalled carbon nanotubes (MWCNTs) and mediated by ferrocene (Fc) entrapped in the cryogel pores wall. A sialic acid derived electroactive product was detected amperometrically in a flow injection system. The fabricated sialic acid biosensor provided excellent analytical performances with a wide linear range of 0.025 to 15.0 mM and a limit of detection of 18 μM. Under the low applied potential of 0.20 V versus a Ag/AgCl, common electroactive interfering compounds such as ascorbic acid, uric acid and pyruvic acid were not detected and they have no effect on the analysis of sialic acid. The fabricated sialic acid biosensor also demonstrated a high stability after up to 100 injections. The reliability of the biosensor to detect sialic acid in blood plasma was in good agreement (P > 0.05) with a standard periodic-resorcinol spectrophotometric method. This easy to prepare conductive and biocompatible porous structure should be a prospective supporting material for biosensor development

  2. Supercooling and cold energy storage characteristics of nano-media in ball-packed porous structures

    Zhao Qunzhi

    2015-04-01

    Full Text Available The presented experiments aimed to study the supercooling and cold-energy storage characteristics of nanofluids and water-based nano-media in ball-packed porous structures (BPS. Titanium dioxide nanoparticles (TiO2 NPs measuring 20nm and 80nm were used as additives and sodium dodecyl benzene sulphonate (SDBS was used as anionic surfactant. The experiments used different concentrations of nanofluid, distilled with BPS of different spherical diameter and different concentrations of nano-media, and were conducted 20 times. Experimental results of supercooling were analysed by statistical methods. Results show that the average and peak supercooling degrees of nanofluids and nano-media in BPS are lower than those of distilled water. For the distilled water in BPS, the supercooling degree decreases on the whole with the decrease of the ball diameter. With the same spherical diameter (8mm of BPS, the supercooling degree of TiO2 NPs measuring 20nm is lower than the supercooling degree of distilled water in BPS. Step-cooling experiments of different concentrations of nanofluids and nano-media in BPS were also conducted. Results showed that phase transition time is reduced because of the presence of TiO2 NPs. The BPS substrate and the NPs enhance the heat transfer. Distilled water with a porous solid base and nanoparticles means the amount of cold-energy storage increases and the supercooling degree and the total time are greatly reduced. The phase transition time of distilled water is about 3.5 times that of nano-media in BPS.

  3. Simulation of the Flow Through Porous Layers Composed of Converging-Diverging Capillary Fissures or Tubes

    Walicka, A.

    2018-02-01

    In this paper, a porous medium is modelled by a network of converging-diverging capillaries which may be considered as fissures or tubes. This model makes it necessary to consider flows through capillary fissures or tubes. Therefore an analytical method for deriving the relationships between pressure drops, volumetric flow rates and velocities for the following fluids: Newtonian, polar, power-law, pseudoplastic (DeHaven and Sisko types) and Shulmanian, was developed. Next, considerations on the models of pore network for Newtonian and non-Newtonian fluids were presented. The models, similar to the schemes of central finite differences may provide a good basis for transforming the governing equations of a flow through the porous medium into a set of linear or quasi-linear algebraic equations. It was shown that the some coefficients in these algebraic equations depend on the kind of the capillary convergence.

  4. Numerical Simulation of Transient Free Convection Flow and Heat Transfer in a Porous Medium

    Rajesh Sharma

    2013-01-01

    Full Text Available The coupled momentum and heat transfer in unsteady, incompressible flow along a semi-infinite vertical porous moving plate adjacent to an isotropic porous medium with viscous dissipation effect are investigated. The Darcy-Forchheimer nonlinear drag force model which includes the effects of inertia drag forces is employed. The governing differential equations of the problem are transformed into a system of nondimensional differential equations which are solved numerically by the finite element method (FEM. The non-dimensional velocity and temperature profiles are presented for the influence of Darcy number, Forchheimer number, Grashof number, Eckert number, Prandtl number, plate velocity, and time. The Nusselt number is also evaluated and compared with finite difference method (FDM, which shows excellent agreement.

  5. Modeling and simulation of liquid diffusion through a porous finitely elastic solid

    Zhao, Qiangsheng

    2013-01-29

    A new theory is proposed for the continuum modeling of liquid flow through a porous elastic solid. The solid and the voids are assumed to jointly constitute the macroscopic solid phase, while the liquid volume fraction is included as a separate state variable. A finite element implementation is employed to assess the predictive capacity of the proposed theory, with particular emphasis on the mechanical response of Nafion® membranes to the flow of water. © 2013 Springer-Verlag Berlin Heidelberg.

  6. Modeling and simulation of nanoparticles transport in a two-phase flow in porous media

    El-Amin, Mohamed; Salama, Amgad; Sun, Shuyu

    2012-01-01

    In the current paper, a mathematical model to describe the nanoparticles transport carried by a two-phase flow in a porous medium is presented. Both capillary forces as well as Brownian diffusion are considered in the model. A numerical example of countercurrent water-oil imbibition is considered. We monitor the changing of the fluid and solid properties due to the addition of the nanoparticles using numerical experiments. Variation of water saturation, nanoparticles concentration and porosity ratio are investigated.

  7. Porous structure and morphology of granular chars from flash and conventional pyrolysis of grape seeds

    Jimenez-Cordero, Diana; Heras, Francisco; Alonso-Morales, Noelia; Gilarranz, Miguel A.; Rodriguez, Juan J.

    2013-01-01

    This work studies the influence of the operating conditions used in the pyrolysis of grape seeds on the morphology and textural properties of the chars resulting. Flash and conventional (283 K min −1 heating rate) pyrolysis have been used within a wide range of temperature (300–1000 °C). The effect of a pretreatment for oil extraction has also been studied. The porous structure of the chars was characterized by adsorption of N 2 at 77 K, Ar at 77 K and 87 K, and CO 2 at 273 K and mercury intrusion porosimetry. The morphology was analyzed by scanning electron microscopy. All the materials prepared revealed an essentially microporous structure, with a poor or even negligible contribution of mesopores. Increasing pyrolysis temperature led to higher specific surface areas and lower pore size. The highest specific surface area values occurred within 700–800 °C, reaching up to 500 m 2 g −1 with pore sizes in the 0.4–1.1 nm range. No significant morphological changes were observed upon carbonization so that the resulting chars were granular materials of similar size than the starting grape seeds. The hollow core structure of the chars, with most of the material allocated at the periphery of the granules can help to overcome the mass transfer limitations of most common (solid or massive) granular activated carbons. The chars showed a good mechanical strength during attrition tests. These chars can be potential candidates for the preparation of granular carbons molecular sieve or activated carbons raw materials. -- Highlights: •We use a raw material that has a very low price and a high availability. •Not very much attention has been paid to this waste for carbonaceous materials preparation. •The chars obtained have high specific surface area that is an interesting starting point for later activation processes. •The chars show a micro-macro porous bimodal distribution. •Pyrolysis does not affect to morphology or initial seed, leading a carbonized

  8. Nanoscale assembly of lanthanum silica with dense and porous interfacial structures.

    Ballinger, Benjamin; Motuzas, Julius; Miller, Christopher R; Smart, Simon; Diniz da Costa, João C

    2015-02-03

    This work reports on the nanoscale assembly of hybrid lanthanum oxide and silica structures, which form patterns of interfacial dense and porous networks. It was found that increasing the molar ratio of lanthanum nitrate to tetraethyl orthosilicate (TEOS) in an acid catalysed sol-gel process alters the expected microporous metal oxide silica structure to a predominantly mesoporous structure above a critical lanthanum concentration. This change manifests itself by the formation of a lanthanum silicate phase, which results from the reaction of lanthanum oxide nanoparticles with the silica matrix. This process converts the microporous silica into the denser silicate phase. Above a lanthanum to silica ratio of 0.15, the combination of growth and microporous silica consumption results in the formation of nanoscale hybrid lanthanum oxides, with the inter-nano-domain spacing forming mesoporous volume. As the size of these nano-domains increases with concentration, so does the mesoporous volume. The absence of lanthanum hydroxide (La(OH)3) suggests the formation of La2O3 surrounded by lanthanum silicate.

  9. Effective Rheology of Two-Phase Flow in Three-Dimensional Porous Media: Experiment and Simulation.

    Sinha, Santanu; Bender, Andrew T; Danczyk, Matthew; Keepseagle, Kayla; Prather, Cody A; Bray, Joshua M; Thrane, Linn W; Seymour, Joseph D; Codd, Sarah L; Hansen, Alex

    2017-01-01

    We present an experimental and numerical study of immiscible two-phase flow of Newtonian fluids in three-dimensional (3D) porous media to find the relationship between the volumetric flow rate ( Q ) and the total pressure difference ([Formula: see text]) in the steady state. We show that in the regime where capillary forces compete with the viscous forces, the distribution of capillary barriers at the interfaces effectively creates a yield threshold ([Formula: see text]), making the fluids reminiscent of a Bingham viscoplastic fluid in the porous medium. In this regime, Q depends quadratically on an excess pressure drop ([Formula: see text]). While increasing the flow rate, there is a transition, beyond which the overall flow is Newtonian and the relationship is linear. In our experiments, we build a model porous medium using a column of glass beads transporting two fluids, deionized water and air. For the numerical study, reconstructed 3D pore networks from real core samples are considered and the transport of wetting and non-wetting fluids through the network is modeled by tracking the fluid interfaces with time. We find agreement between our numerical and experimental results. Our results match with the mean-field results reported earlier.

  10. Simulation of the relationship between porosity and tortuosity in porous media with cubic particles

    Tang Xiao-Wu; Sun Zu-Feng; Cheng Guan-Chu

    2012-01-01

    Tortuosity is an important parameter used in areas such as vascular medicine, neurobiology, and the field of soil permeability and diffusion to express the mass transport in porous media. It is a function of the porosity and the shape and distribution of particles. In this paper, the tortuosity of cubic particles is calculated. With the assumption that the porous medium is homogeneous, the problem is converted to the micro-level over a unit cell, and geometry models of flow paths are proposed. In three-dimensional (3D) cells, the flow paths are too complicated to define. Hence, the 3D models are converted to two-dimensional (2D) models to simplify the calculation process. It is noticed that the path in the 2D model is shorter than that in the 3D model. As a result, triangular particles and the interaction are also taken into consideration to account for the longer distance respectively. We have proposed quadrate particle and interaction (QI) and quadrate and triangular particle (QT) models with cubic particles. Both models have shown good agreement with the experimental data. It is also found that they can predict the toruosities of some kinds of porous media, like freshwater sediment and Negev chalk

  11. Numerical Simulation of Density-Driven Flow and Heat Transport Processes in Porous Media Using the Network Method

    Manuel Cánovas

    2017-09-01

    Full Text Available Density-driven flow and heat transport processes in 2-D porous media scenarios are governed by coupled, non-linear, partial differential equations that normally have to be solved numerically. In the present work, a model based on the network method simulation is designed and applied to simulate these processes, providing steady state patterns that demonstrate its computational power and reliability. The design is relatively simple and needs very few rules. Two applications in which heat is transported by natural convection in confined and saturated media are studied: slender boxes heated from below (a kind of Bénard problem and partially heated horizontal plates in rectangular domains (the Elder problem. The streamfunction and temperature patterns show that the results are coherent with those of other authors: steady state patterns and heat transfer depend both on the Rayleigh number and on the characteristic Darcy velocity derived from the values of the hydrological, thermal and geometrical parameters of the problems.

  12. Fabrication of Graded Porous and Skin-Core Structure RDX-Based Propellants via Supercritical CO2 Concentration Profile

    Yang, Weitao; Li, Yuxiang; Ying, Sanjiu

    2015-04-01

    A fabrication process to produce graded porous and skin-core structure propellants via supercritical CO2 concentration profile is reported in this article. It utilizes a partial gas saturation technique to obtain nonequilibrium gas concentration profiles in propellants. Once foamed, the propellant obtains a graded porous or skin-pore structure. This fabrication method was studied with RDX(Hexogen)-based propellant under an SC-CO2 saturation condition. The principle was analyzed and the one-dimensional diffusion model was employed to estimate the gas diffusion coefficient and to predict the gas concentration profiles inside the propellant. Scanning electron microscopy images were used to analyze the effects of partial saturation on the inner structure. The results also suggested that the sorption time and desorption time played an important role in gas profile generation and controlled the inner structure of propellants.

  13. Hydrazine reduction of metal ions to porous submicro-structures of Ag, Pd, Cu, Ni, and Bi

    Wang Yue; Shi Yongfang; Chen Yubiao [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Wu Liming, E-mail: liming_wu@fjirsm.ac.cn [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

    2012-07-15

    Porous submicro-structures of Ag, Pd, Cu, Ni, and Bi with high surface area have been prepared by the reduction of hydrazine in glycerol-ethanol solution at room temperature or 120-180 Degree-Sign C. Phase purity, morphology, and specific surface area have been characterized. The reactions probably undergo three different mechanisms: simple reduction for Ag and Pd, coordination-then-reduction for Cu and Ni, and hydrolysis-then-reduction for Bi. The reductant hydrazine also plays an important role to the formation of the porous submicro-structure. The reaction temperature influences the size of the constituent particles and the overall architecture of the submicro-structure so as to influence the surface area value. The as-prepared porous metals have shown the second largest surface area ever reported, which are smaller than those made by the reduction of NaBH{sub 4}, but larger than those made by hard or soft template methods. - Graphical abstract: Porous submicro-structures of Ag, Pd, Cu, Ni, and Bi with high surface area have been prepared by the reduction of hydrazine in the glycerol-ethanol solution at room temperature or 120-180 Degree-Sign C. The reactions undergo different mechanisms: simple reduction for Ag and Pd, coordination-then-reduction for Cu and Ni, and hydrolysis-then-reduction for Bi. Highlights: Black-Right-Pointing-Pointer Syntheses of porous Ag, Pd, Cu, Ni, and Bi with high surface area. Black-Right-Pointing-Pointer Ag and Pd undergo simple reduction. Black-Right-Pointing-Pointer Cu and Ni undergo coordination-then-reduction. Black-Right-Pointing-Pointer Bi undergoes hydrolysis-then-reduction. Black-Right-Pointing-Pointer The as-prepared metals have shown the second largest surface area ever reported.

  14. Rationally designed porous silicon as platform for optical biosensors

    Priano, G.; Acquaroli, L.N.; Lasave, L.C.; Battaglini, F.; Arce, R.D.; Koropecki, R.R.

    2012-01-01

    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: ► 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

  15. Rationally designed porous silicon as platform for optical biosensors

    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.

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

    Ben Slimane, Ahmed; Najar, Adel; Ng, Tien Khee; Ooi, Boon S.

    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

  17. Porous SiO2 nanofiber grafted novel bioactive glass-ceramic coating: A structural scaffold for uniform apatite precipitation and oriented cell proliferation on inert implant.

    Das, Indranee; De, Goutam; Hupa, Leena; Vallittu, Pekka K

    2016-05-01

    A composite bioactive glass-ceramic coating grafted with porous silica nanofibers was fabricated on inert glass to provide a structural scaffold favoring uniform apatite precipitation and oriented cell proliferation. The coating surfaces were investigated thoroughly before and after immersion in simulated body fluid. In addition, the proliferation behavior of fibroblast cells on the surface was observed for several culture times. The nanofibrous exterior of this composite bioactive coating facilitated homogeneous growth of flake-like carbonated hydroxyapatite layer within a short period of immersion. Moreover, the embedded porous silica nanofibers enhanced hydrophilicity which is required for proper cell adhesion on the surface. The cells proliferated well following a particular orientation on the entire coating by the assistance of nanofibrous scaffold-like structural matrix. This newly engineered composite coating was effective in creating a biological structural matrix favorable for homogeneous precipitation of calcium phosphate, and organized cell growth on the inert glass surface. Copyright © 2016 Elsevier B.V. All rights reserved.

  18. Simulation of reinforced concrete NPP structures

    Zverev, A.B.; Yaskevich, E.E.; Tarannikov, V.N.; Loginov, A.Ya.; Lagutov, V.I.

    1989-01-01

    Analysis of stress-strained state of NPP frame structures at different stages of their operation using the method of physical simulation, is conducted. Comparison of model investigations to the data of full-scale deformation measurement allows one to define the strength resource of the structures under operation. Bench test layout and results of investigations into strength, deformation, thermal-physical and acoustic emission parameters of the investigated processes during model loading, are presented

  19. A 2-D FEM thermal model to simulate water flow in a porous media: Campi Flegrei caldera case study

    V. Romano

    2012-05-01

    Full Text Available Volcanic and geothermal aspects both exist in many geologically young areas. In these areas the heat transfer process is of fundamental importance, so that the thermal and fluid-dynamic processes characterizing a viscous fluid in a porous medium are very important to understand the complex dynamics of the these areas. The Campi Flegrei caldera, located west of the city of Naples, within the central-southern sector of the large graben of Campanian plain, is a region where both volcanic and geothermal phenomena are present. The upper part of the geothermal system can be considered roughly as a succession of volcanic porous material (tuff saturated by a mixture formed mainly by water and carbon dioxide. We have implemented a finite elements approach in transient conditions to simulate water flow in a 2-D porous medium to model the changes of temperature in the geothermal system due to magmatic fluid inflow, accounting for a transient phase, not considered in the analytical solutions and fluid compressibility. The thermal model is described by means of conductive/convective equations, in which we propose a thermal source represented by a parabolic shape function to better simulate an increase of temperature in the central part (magma chamber of a box, simulating the Campi Flegrei caldera and using more recent evaluations, from literature, for the medium's parameters (specific heat capacity, density, thermal conductivity, permeability. A best-fit velocity for the permeant is evaluated by comparing the simulated temperatures with those measured in wells drilled by Agip (Italian Oil Agency in the 1980s in the framework of geothermal exploration. A few tens of days are enough to reach the thermal steady state, showing the quick response of the system to heat injection. The increase in the pressure due to the heat transport is then used to compute ground deformation, in particular the vertical displacements characteristics of the Campi Flegrei caldera

  20. Photocatalytic evaluation of self-assembled porous network structure of ferric oxide film fabricated by dry deposition process

    Park, Yunchan; Kim, Hyungsub; Lee, Geon-Yong; Pawar, Rajendra C.; Lee, Jai-Sung; Lee, Caroline Sunyong, E-mail: sunyonglee@hanyang.ac.kr

    2016-09-15

    Ferric oxide powder in the alpha phase (α-Fe{sub 2}O{sub 3}) was deposited on an aluminum oxide (Al{sub 2}O{sub 3}) substrate by a nanoparticle deposition system using the dry deposition method. X-ray diffraction (XRD) images confirmed that the phase of the deposited α-Fe{sub 2}O{sub 3} did not change. The deposited α-Fe{sub 2}O{sub 3} was characterized in terms of its microstructure using scanning electron microscopy (SEM). A porous network microstructure formed when small agglomerates of Fe{sub 2}O{sub 3} (SAF) were deposited. The deposition and formation mechanism of the microstructure were investigated using SEM and three-dimensional (3D) profile analysis. First, a dense coating layer formed when the film was thinner than the particle size. After that, as the film thickness increased to over 5 μm, the porous network structure formed by excavating the surface of the coating layer as it was bombarded by particles. Rhodamine B (RhB) was degraded after 6 h of exposure to the Fe{sub 2}O{sub 3} coating layer with SAF, which has good photocatalytic activity and a high porous network structure. The kinetic rate constants of the SAF and large agglomerates of Fe{sub 2}O{sub 3} (LAF) were calculated to be 0.197(h{sup −1}) and 0.128(h{sup −1}), respectively, based on the absorbance results. Using linear sweep voltammetry, we confirmed that the photoelectric effect occurred in the coating layer by measuring the resulting current under illuminated and dark conditions. - Graphical abstract: Self-assembled porous photocatalytic film fabricated by dry deposition method for water purification. - Highlights: • Different sizes of Fe{sub 2}O{sub 3} agglomerates were used to form porous network structure. • Fe{sub 2}O{sub 3} agglomerate particles were deposited using solvent-free process. • Self-assembled porous network microstructure formed better with small agglomerates of Fe{sub 2}O{sub 3}. • Fabricated porous network structure showed its potential to be used

  1. Study of double porous silicon surfaces for enhancement of silicon solar cell performance

    Razali, N. S. M.; Rahim, A. F. A.; Radzali, R.; Mahmood, A.

    2017-09-01

    In this work, design and simulation of double porous silicon surfaces for enhancement of silicon solar cell is carried out. Both single and double porous structures are constructed by using TCAD ATHENA and TCAD DEVEDIT tools of the SILVACO software respectively. After the structures were created, I-V characteristics and spectral response of the solar cell were extracted using ATLAS device simulator. Finally, the performance of the simulated double porous solar cell is compared with the performance of both single porous and bulk-Si solar cell. The results showed that double porous silicon solar cell exhibited 1.8% efficiency compared to 1.3% and 1.2% for single porous silicon and bulk-Si solar cell.

  2. Modeling and Reconstruction of Micro-structured 3D Chitosan/Gelatin Porous Scaffolds Using Micro-CT

    Gong, Haibo; Li, Dichen; He, Jiankang; Liu, Yaxiong; Lian, Qin; Zhao, Jinna

    2008-09-01

    Three dimensional (3D) channel networks are the key to promise the uniform distribution of nutrients inside 3D hepatic tissue engineering scaffolds and prompt elimination of metabolic products out of the scaffolds. 3D chitosan/gelatin porous scaffolds with predefined internal channels were fabricated and a combination of light microscope, laser confocal microscopy and micro-CT were employed to characterize the structure of porous scaffolds. In order to evaluate the flow field distribution inside the micro-structured 3D scaffolds, a computer reconstructing method based on Micro-CT was proposed. According to this evaluating method, a contrast between 3D porous scaffolds with and without predefined internal channels was also performed to assess scaffolds' fluid characters. Results showed that the internal channel of the 3D scaffolds formed the 3D fluid channel network; the uniformity of flow field distribution of the scaffolds fabricated in this paper was better than the simple porous scaffold without micro-fluid channels.

  3. Preparation of degradable porous structures based on 1,3-trimethylene carbonate and D,L-lactide (co)polymers for heart tissue engineering

    Pego, AP; Siebum, B; Van Luyn, MJA; Van Seijen, XJGY; Poot, AA; Grijpma, DW; Feijen, J

    2003-01-01

    Biodegradable porous scaffolds for heart tissue engineering were prepared from amorphous elastomeric (co)polymers of 1,3-trimethylene carbonate (TMC) and D,L-lactide (DLLA). Leaching of salt from compression-molded polymer-salt composites allowed the preparation of highly porous structures in a

  4. Viscoelastic polymer flows and elastic turbulence in three-dimensional porous structures.

    Mitchell, Jonathan; Lyons, Kyle; Howe, Andrew M; Clarke, Andrew

    2016-01-14

    Viscoelastic polymer solutions flowing through reservoir rocks have been found to improve oil displacement efficiency when the aqueous-phase shear-rate exceeds a critical value. A possible mechanism for this enhanced recovery is elastic turbulence that causes breakup and mobilization of trapped oil ganglia. Here, we apply nuclear magnetic resonance (NMR) pulsed field gradient (PFG) diffusion measurements in a novel way to detect increased motion of disconnected oil ganglia. The data are acquired directly from a three-dimensional (3D) opaque porous structure (sandstone) when viscoelastic fluctuations are expected to be present in the continuous phase. The measured increase in motion of trapped ganglia provides unequivocal evidence of fluctuations in the flowing phase in a fully complex 3D system. This work provides direct evidence of elastic turbulence in a realistic reservoir rock - a measurement that cannot be readily achieved by conventional laboratory methods. We support the NMR data with optical microscopy studies of fluctuating ganglia in simple two-dimensional (2D) microfluidic networks, with consistent apparent rheological behaviour of the aqueous phase, to provide conclusive evidence of elastic turbulence in the 3D structure and hence validate the proposed flow-fluctuation mechanism for enhanced oil recovery.

  5. Structure and photoluminescence properties of ZnS films grown on porous Si substrates

    Wang, Cai-feng; Hu, Bo; Yi, Hou-hui; Li, Wei-bing

    2011-11-01

    ZnS films were deposited on porous silicon (PS) substrates with different porosities. With the increase of PS substrate porosity, the XRD diffraction peak intensity decreases and the surface morphology of the ZnS films becomes rougher. Voids appear in the films, due to the increased roughness of PS structure. The photoluminescence (PL) spectra of the samples before and after deposition of ZnS were measured to study the effect of substrate porosity on the luminescence properties of ZnS/PS composites. As-prepared PS substrates emit strong red light. The red PL peak of PS after deposition of ZnS shows an obvious blueshift. As PS substrate porosity increases, the trend of blueshift increases. A green emission at about 550 nm was also observed when the porosity of PS increased, which is ascribed to the defect-center luminescence of ZnS. The effect of annealing time on the structural and luminescence properties of ZnS/PS composites were also studied. With the increase of annealing time, the XRD diffraction peak intensity and the self-activated luminescence intensity of ZnS increase, and, the surface morphology of the ZnS films becomes smooth and compact. However, the red emission intensity of PS decreases, which was associated with a redshift. White light emission was obtained by combining the luminescence of ZnS with the luminescence of PS.

  6. Porous PDMS structures for the storage and release of aqueous solutions into fluidic environments.

    Thurgood, Peter; Baratchi, Sara; Szydzik, Crispin; Mitchell, Arnan; Khoshmanesh, Khashayar

    2017-07-11

    Typical microfluidic systems take advantage of multiple storage reservoirs, pumps and valves for the storage, driving and release of buffers and other reagents. However, the fabrication, integration, and operation of such components can be difficult. In particular, the reliance of such components on external off-chip equipment limits their utility for creating self-sufficient, stand-alone microfluidic systems. Here, we demonstrate a porous sponge made of polydimethylsiloxane (PDMS), which is fabricated by templating microscale water droplets using a T-junction microfluidic structure. High-resolution microscopy reveals that this sponge contains a network of pores, interconnected by small holes. This unique structure enables the sponge to passively release stored solutions very slowly. Proof-of-concept experiments demonstrate that the sponge can be used for the passive release of stored solutions into narrow channels and circular well plates, with the latter used for inducing intracellular calcium signalling of immobilised endothelial cells. The release rate of stored solutions can be controlled by varying the size of interconnecting holes, which can be easily achieved by changing the flow rate of the water injected into the T-junction. We also demonstrate the active release of stored liquids into a fluidic channel upon the manual compression of the sponge. The developed PDMS sponge can be easily integrated into complex micro/macro fluidic systems and prepared with a wide array of reagents, representing a new building block for self-sufficient microfluidic systems.

  7. Utilization of Pebax 1657 as structure directing agent in fabrication of ultra-porous ZIF-8

    Jomekian, A. [Gas Engineering Department, Ahvaz Faculty of Petroleum Engineering, Petroleum University of Technology (PUT), Post Office Box 63431, Ahvaz (Iran, Islamic Republic of); Faculty of Chemical Engineering, Iran University of Science and Technology (IUST), Narmak, Tehran (Iran, Islamic Republic of); Behbahani, R.M., E-mail: behbahani@put.ac.ir [Gas Engineering Department, Ahvaz Faculty of Petroleum Engineering, Petroleum University of Technology (PUT), Post Office Box 63431, Ahvaz (Iran, Islamic Republic of); Mohammadi, T. [Faculty of Chemical Engineering, Iran University of Science and Technology (IUST), Narmak, Tehran (Iran, Islamic Republic of); Kargari, A. [Department of Petrochemical Engineering, Amirkabir University of Technology (AUT), Mahshahr (Iran, Islamic Republic of)

    2016-03-15

    Ultra porous ZIF-8 particles synthesized using PEO/PA6 based poly(ether-block-amide) (Pebax 1657) as structure directing agent. Structural properties of ZIF-8 samples prepared under different synthesis parameters were investigated by laser particle size analysis, XRD, N{sub 2} adsorption analysis, BJH and BET tests. The overall results showed that: (1) The mean pore size of all ZIF-8 samples increased remarkably (from 0.34 nm to 1.1–2.5 nm) compared to conventionally synthesized ZIF-8 samples. (2) Exceptional BET surface area of 1869 m{sup 2}/g was obtained for a ZIF-8 sample with mean pore size of 2.5 nm. (3) Applying high concentrations of Pebax 1657 to the synthesis solution lead to higher surface area, larger pore size and smaller particle size for ZIF-8 samples. (4) Both, Increase in temperature and decrease in molar ratio of MeIM/Zn{sup 2+} had increasing effect on ZIF-8 particle size, pore size, pore volume, crystallinity and BET surface area of all investigated samples. - Highlights: • The pore size of ZIF-8 samples synthesized with Pebax 1657 increased remarkably. • The BET surface area of 1869 m{sup 2}/gr obtained for a ZIF-8 synthesized sample with Pebax. • Increase in temperature had increasing effect on textural properties of ZIF-8 samples. • Decrease in MeIM/Zn{sup 2+} had increasing effect on textural properties of ZIF-8 samples.

  8. New faces of porous Prussian blue: interfacial assembly of integrated hetero-structures for sensing applications.

    Kong, Biao; Selomulya, Cordelia; Zheng, Gengfeng; Zhao, Dongyuan

    2015-11-21

    Prussian blue (PB), the oldest synthetic coordination compound, is a classic and fascinating transition metal coordination material. Prussian blue is based on a three-dimensional (3-D) cubic polymeric porous network consisting of alternating ferric and ferrous ions, which provides facile assembly as well as precise interaction with active sites at functional interfaces. A fundamental understanding of the assembly mechanism of PB hetero-interfaces is essential to enable the full potential applications of PB crystals, including chemical sensing, catalysis, gas storage, drug delivery and electronic displays. Developing controlled assembly methods towards functionally integrated hetero-interfaces with adjustable sizes and morphology of PB crystals is necessary. A key point in the functional interface and device integration of PB nanocrystals is the fabrication of hetero-interfaces in a well-defined and oriented fashion on given substrates. This review will bring together these key aspects of the hetero-interfaces of PB nanocrystals, ranging from structure and properties, interfacial assembly strategies, to integrated hetero-structures for diverse sensing.

  9. Tunable porous structure of carbon nanosheets derived from puffed rice for high energy density supercapacitors

    Hou, Jianhua; Jiang, Kun; Tahir, Muhammad; Wu, Xiaoge; Idrees, Faryal; Shen, Ming; Cao, Chuanbao

    2017-12-01

    The development of green and clean synthetic techniques to overcome energy requirements have motivated the researchers for the utilization of sustainable biomass. Driven by this desire we choose rice as starting materials source. After the explosion effect, the precursor is converted into puffed rice with a honeycomb-like structures composed of thin sheets. These honeycomb-like macrostructures, effectively prevent the cross-linking tendency towards the adjacent nanosheets during activation process. Furthermore, tuneable micro/mesoporous structures with ultrahigh specific surface areas (SBET) are successfully designed by KOH activation. The highest SBET of 3326 m2 g-1 with optimized proportion of small-mesopores is achieved at 850 °C. The rice-derived porous N-doped carbon nanosheets (NCS-850) are used as the active electrode materials for supercapacitors. It exhibites high specific capacitance specifically of 218 F g-1 at 80 A g-1 in 6 M KOH and a high-energy density of 104 Wh kg-1 (53 Wh L-1) in the ionic liquid electrolytes. These are the highest values among the reported biomass-derived carbon materials for the best of our knowledge. The present work demonstrates that the combination of "puffing effect" and common chemical activation can turn natural products such as rice into functional products with prospective applications in high-performance energy storage devices.

  10. Preparation of activated carbon aerogels with hierarchically porous structures for electrical double layer capacitors

    Liu, Dong; Shen, Jun; Liu, Nianping; Yang, Huiyu; Du, Ai

    2013-01-01

    Activated carbon aerogels (ACAs) with hierarchically porous structures and high specific surface area have been prepared via CO 2 and KOH activation processes. The pore structures of ACAs are characterized by N 2 adsorption/desorption and scanning electron microscopy. The experimental results show that the ACAs contain three types of pores: micropores with diameters below 2 nm, small mesopores with diameters from 2 to 4 nm and large pores or channels with diameters over 30 nm. The typical sample ACAs-4, which possess pore volume of 2.73 cm 3 g −1 and specific surface area of 2119 m 2 g −1 , exhibits high specific capacitances of 250 F g −1 and 198 F g −1 at the current densities of 0.5 A g −1 and 20 A g −1 respectively in 6 M KOH aqueous solution. Furthermore, the resultant ACAs electrode materials also exhibit high power density, good cycling stability and long lifetime. With these features, ACAs are expected to be promising electrode materials for electrical double layer capacitors

  11. Seismic analysis of structures by simulation

    Sundararajan, C.; Gangadharan, A.C.

    1977-01-01

    The paper presents a state-of-the-art survey, and recommendations for future work in the area of stochastic seismic analysis by Monte Carlo simulation. First the Monte Carlo simulation procedure is described, with special emphasis on a 'unified approach' for the digital generation of artificial earthquake motions. Next, the advantages and disadvantages of the method over the power spectral method are discussed; and finally, an efficient 'Hybrid Monte Carlo-Power Spectral Method' is developed. The Monte Carlo simulation procedure consists of the following tasks: (1) Digital generation of artificial earthquake motions, (2) Response analysis of the structure to a number of sample motions, and (3) statistical analysis of the structural responses

  12. Simulating the formation of cosmic structure.

    Frenk, C S

    2002-06-15

    A timely combination of new theoretical ideas and observational discoveries has brought about significant advances in our understanding of cosmic evolution. Computer simulations have played a key role in these developments by providing the means to interpret astronomical data in the context of physical and cosmological theory. In the current paradigm, our Universe has a flat geometry, is undergoing accelerated expansion and is gravitationally dominated by elementary particles that make up cold dark matter. Within this framework, it is possible to simulate in a computer the emergence of galaxies and other structures from small quantum fluctuations imprinted during an epoch of inflationary expansion shortly after the Big Bang. The simulations must take into account the evolution of the dark matter as well as the gaseous processes involved in the formation of stars and other visible components. Although many unresolved questions remain, a coherent picture for the formation of cosmic structure is now beginning to emerge.

  13. Seismic analysis of structures by simulation

    Sundararajan, C.; Gangadharan, A.C.

    1977-01-01

    The paper presents a state-of-the-art survey, and recommendations for future work in the area of stochastic seismic analysis by Monte Carlo simulation. First the Monte Carlo simulation procedure is described with special emphasis on a 'unified approach' for the digital generation of anificial earthquake motions. Next, the advantages and disadvantages of the method over the power spectral method are discussed; and finally, an efficient 'Hybrid Monte Carlo-Power Spectral Method' is developed. The Monte Carlo simulation procedure consists of the following tasks: (1) Digital generation of artificial earthquake motions, (2) Response analysis of the structure to a number of sample motions, and (3) Statistical analysis of the structural responses. (Auth.)

  14. Methods of forming and using porous structures for energy efficient separation of light gases by capillary condensation

    Calamur, Narasimhan; Carrera, Martin E.; Devlin, David J.; Archuleta, Tom

    2000-01-01

    The present invention relates to an improved method and apparatus for separating one or more condensable compounds from a mixture of two or more gases of differing volatilities by capillary fractionation in a membrane-type apparatus, and a method of forming porous structures therefor. More particularly, the invention includes methods of forming and using an apparatus consisting, at least in part, of a porous structure having capillary-type passages extending between a plurality of small openings on the first side and larger openings on a second side of the structure, the passages being adapted to permit a condensed liquid to flow therethrough substantially by capillary forces, whereby vapors from the mixture are condensed, at least in part, and substantially in and adjacent to the openings on the first side, and are caused to flow in a condensed liquid state, substantially in the absence of vapor, from the openings on the first side to the openings on the second side.

  15. Simulation of density-driven flow in heterogeneous and fractured porous media

    Grillo, A. [Politecnico di Torino (Italy). DISMA; Logashenko, D. [Steinbeis Research Center, Oelbronn (Germany); Stichel, S.; Wittum, G. [Frankfurt Univ., Frankfurt am Main (Germany). G-CSC

    2015-07-01

    The study of fractured porous media is an important and challenging problem in hydrogeology. One of the difficulties is that mathematical models have to account for heterogeneity introduced by fractures in hydrogeological media. Heterogeneity may strongly influence the physical processes taking place in these media. Moreover, the thickness of the fractures, which is usually negligible in comparison with the size of the whole domain, and the complicated geometry of fracture networks reduce essentially the efficiency of numerical methods. In order to overcome these difficulties, fractures are sometimes considered as objects of reduced dimensionality (surfaces in three dimensions), and the field equations are averaged along the fracture width. Fractures are assumed to be thin regions of space filled with a porous material whose properties differ from those of the porous medium enclosing them. The interfaces separating the fractures from the embedding medium are assumed to be ideal. We consider two approaches: (i) the fractures have the same dimension, d, as the embedding medium and are said to be d-dimensional; (ii) the fractures are considered as (d-1)-dimensional manifolds, and the equations of density-driven flow are found by averaging the d-dimensional laws over the fracture width. We show that the second approach is a valid alternative to the first one. For this purpose, we perform numerical experiments using a finite-volume discretization for both approaches. The results obtained by the two methods are in good agreement with each other. We derive a criterion for the validity of the simplified representation. The criterion characterizes the transition of a mainly parallel flow to a rotational flow, which cannot be reasonably approximated using a d-1 dimensional representation. We further present a numerical algorithm using adaptive dimensional representation.

  16. VOPcPhO:P3HT composite micro-structures with nano-porous surface morphology

    Azmer, Mohamad Izzat [Low Dimensional Materials Research Centre (LDMRC), Department of Physics, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Ahmad, Zubair, E-mail: zubairtarar@qu.edu.qa [Center for Advanced Materials (CAM), Qatar University, P. O. Box 2713, Doha (Qatar); Sulaiman, Khaulah, E-mail: khaulah@um.edu.my [Low Dimensional Materials Research Centre (LDMRC), Department of Physics, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Touati, Farid [Department of Electrical Engineering, College of Engineering, Qatar University, P. O. Box 2713, Doha (Qatar); Bawazeer, Tahani M. [Department of Chemistry, Faculty of Applied Science, Umm Al-Qura University, Makkah (Saudi Arabia); Alsoufi, Mohammad S. [Mechanical Engineering Department, College of Engineering and Islamic Architecture, Umm Al-Qura University, Makkah (Saudi Arabia)

    2017-03-31

    Highlights: • VOPcPhO:P3HT micro-structures with nano-porous surface morphology have been formed. • Multidimensional structures have been formed by electro-spraying technique. • The electro-sprayed films are very promising for the humidity sensors. - Abstract: In this paper, composite micro-structures of Vanadyl 2,9,16,23-tetraphenoxy-29H,31H-phthalocyanine) (VOPcPhO) and Poly (3-hexylthiophene-2,5-diyl) (P3HT) complex with nano-porous surface morphology have been developed by electro-spraying technique. The structural and morphological characteristics of the VOPcPhO:P3HT composite films have been studied by field emission scanning electron microscopy (FESEM) and atomic force microscopy (AFM). The multidimensional VOPcPhO:P3HT micro-structures formed by electro-spraying with nano-porous surface morphology are very promising for the humidity sensors due to the pore sizes in the range of micro to nano-meters scale. The performance of the VOPcPhO:P3HT electro-sprayed sensor is superior in term of sensitivity, hysteresis and response/recovery times as compared to the spin-coated one. The electro-sprayed humidity sensor exhibits ∼3 times and 0.19 times lower hysteresis in capacitive and resistive mode, respectively, as compared to the spin-coated humidity sensor.

  17. Influence of processing parameters on pore structure of 3D porous chitosan-alginate polyelectrolyte complex scaffolds.

    Florczyk, Stephen J; Kim, Dae-Joon; Wood, David L; Zhang, Miqin

    2011-09-15

    Fabrication of porous polymeric scaffolds with controlled structure can be challenging. In this study, we investigated the influence of key experimental parameters on the structures and mechanical properties of resultant porous chitosan-alginate (CA) polyelectrolyte complex (PEC) scaffolds, and on proliferation of MG-63 osteoblast-like cells, targeted at bone tissue engineering. We demonstrated that the porous structure is largely affected by the solution viscosity, which can be regulated by the acetic acid and alginate concentrations. We found that the CA PEC solutions with viscosity below 300 Pa.s yielded scaffolds of uniform pore structure and that more neutral pH promoted more complete complexation of chitosan and alginate, yielding stiffer scaffolds. CA PEC scaffolds produced from solutions with viscosities below 300 Pa.s also showed enhanced cell proliferation compared with other samples. By controlling the key experimental parameters identified in this study, CA PEC scaffolds of different structures can be made to suit various tissue engineering applications. Copyright © 2011 Wiley Periodicals, Inc.

  18. Structural analysis of anodic porous alumina used for resistive random access memory

    Lee, Jeungwoo; Nigo, Seisuke; Kato, Seiichi; Kitazawa, Hideaki; Kido, Giyuu; Nakano, Yoshihiro

    2010-01-01

    Anodic porous alumina with duplex layers exhibits a voltage-induced switching effect and is a promising candidate for resistive random access memory. The nanostructural analysis of porous alumina is important for understanding the switching effect. We investigated the difference between the two layers of an anodic porous alumina film using transmission electron microscopy and electron energy-loss spectroscopy. Diffraction patterns showed that both layers are amorphous, and the electron energy-loss spectroscopy indicated that the inner layer contains less oxygen than the outer layer. We speculate that the conduction paths are mostly located in the oxygen-depleted area.

  19. Development of multi-dimensional analysis method for porous blockage in fuel subassembly. Numerical simulation for 4 subchannel geometry water test

    Tanaka, Masa-aki; Kamide, Hideki

    2001-02-01

    This investigation deals with the porous blockage in a wire spacer type fuel subassembly in Fast Breeder Reactors (FBR's). Multi-dimensional analysis method for a porous blockage in a fuel subassembly is developed using the standard k-ε turbulence model with the typical correlations in handbooks. The purpose of this analysis method is to evaluate the position and the magnitude of the maximum temperature, and to investigate the thermo-hydraulic phenomena in the porous blockage. Verification of this analysis method was conducted based on the results of 4-subchannel geometry water test. It was revealed that the evaluation of the porosity distribution and the particle diameter in a porous blockage was important to predict the temperature distribution. This analysis method could simulate the spatial characteristic of velocity and temperature distributions in the blockage and evaluate the pin surface temperature inside the porous blockage. Through the verification of this analysis method, it is shown that this multi-dimensional analysis method is useful to predict the thermo-hydraulic field and the highest temperature in a porous blockage. (author)

  20. Multiphase flow simulation with gravity effect in anisotropic porous media using multipoint flux approximation

    Negara, Ardiansyah

    2015-03-04

    Numerical investigations of two-phase flows in anisotropic porous media have been conducted. In the flow model, the permeability has been considered as a full tensor and is implemented in the numerical scheme using the multipoint flux approximation within the framework of finite difference method. In addition, the experimenting pressure field approach is used to obtain the solution of the pressure field, which makes the matrix of coefficient of the global system easily constructed. A number of numerical experiments on the flow of two-phase system in two-dimensional porous medium domain are presented. In this work, the gravity is included in the model to capture the possible buoyancy-driven effects due to density differences between the two phases. Different anisotropy scenarios have been considered. From the numerical results, interesting patterns of the flow, pressure, and saturation fields emerge, which are significantly influenced by the anisotropy of the absolute permeability field. It is found that the two-phase system moves along the principal direction of anisotropy. Furthermore, the effects of anisotropy orientation on the flow rates and the cross flow index are also discussed in the paper.

  1. Multiphase flow simulation with gravity effect in anisotropic porous media using multipoint flux approximation

    Negara, Ardiansyah; Salama, Amgad; Sun, Shuyu

    2015-01-01

    Numerical investigations of two-phase flows in anisotropic porous media have been conducted. In the flow model, the permeability has been considered as a full tensor and is implemented in the numerical scheme using the multipoint flux approximation within the framework of finite difference method. In addition, the experimenting pressure field approach is used to obtain the solution of the pressure field, which makes the matrix of coefficient of the global system easily constructed. A number of numerical experiments on the flow of two-phase system in two-dimensional porous medium domain are presented. In this work, the gravity is included in the model to capture the possible buoyancy-driven effects due to density differences between the two phases. Different anisotropy scenarios have been considered. From the numerical results, interesting patterns of the flow, pressure, and saturation fields emerge, which are significantly influenced by the anisotropy of the absolute permeability field. It is found that the two-phase system moves along the principal direction of anisotropy. Furthermore, the effects of anisotropy orientation on the flow rates and the cross flow index are also discussed in the paper.

  2. Monte Carlo random walk simulation of electron transport in confined porous TiO2 as a promising candidate for photo-electrode of nano-crystalline solar cells

    Javadi, M.; Abdi, Y.

    2015-08-01

    Monte Carlo continuous time random walk simulation is used to study the effects of confinement on electron transport, in porous TiO2. In this work, we have introduced a columnar structure instead of the thick layer of porous TiO2 used as anode in conventional dye solar cells. Our simulation results show that electron diffusion coefficient in the proposed columnar structure is significantly higher than the diffusion coefficient in the conventional structure. It is shown that electron diffusion in the columnar structure depends both on the cross section area of the columns and the porosity of the structure. Also, we demonstrate that such enhanced electron diffusion can be realized in the columnar photo-electrodes with a cross sectional area of ˜1 μm2 and porosity of 55%, by a simple and low cost fabrication process. Our results open up a promising approach to achieve solar cells with higher efficiencies by engineering the photo-electrode structure.

  3. Monte Carlo random walk simulation of electron transport in confined porous TiO{sub 2} as a promising candidate for photo-electrode of nano-crystalline solar cells

    Javadi, M.; Abdi, Y., E-mail: y.abdi@ut.ac.ir [Nanophysics Research Laboratory, Department of Physics, University of Tehran, North Kargar, Tehran (Iran, Islamic Republic of)

    2015-08-14

    Monte Carlo continuous time random walk simulation is used to study the effects of confinement on electron transport, in porous TiO{sub 2}. In this work, we have introduced a columnar structure instead of the thick layer of porous TiO{sub 2} used as anode in conventional dye solar cells. Our simulation results show that electron diffusion coefficient in the proposed columnar structure is significantly higher than the diffusion coefficient in the conventional structure. It is shown that electron diffusion in the columnar structure depends both on the cross section area of the columns and the porosity of the structure. Also, we demonstrate that such enhanced electron diffusion can be realized in the columnar photo-electrodes with a cross sectional area of ∼1 μm{sup 2} and porosity of 55%, by a simple and low cost fabrication process. Our results open up a promising approach to achieve solar cells with higher efficiencies by engineering the photo-electrode structure.

  4. Monte Carlo random walk simulation of electron transport in confined porous TiO2 as a promising candidate for photo-electrode of nano-crystalline solar cells

    Javadi, M.; Abdi, Y.

    2015-01-01

    Monte Carlo continuous time random walk simulation is used to study the effects of confinement on electron transport, in porous TiO 2 . In this work, we have introduced a columnar structure instead of the thick layer of porous TiO 2 used as anode in conventional dye solar cells. Our simulation results show that electron diffusion coefficient in the proposed columnar structure is significantly higher than the diffusion coefficient in the conventional structure. It is shown that electron diffusion in the columnar structure depends both on the cross section area of the columns and the porosity of the structure. Also, we demonstrate that such enhanced electron diffusion can be realized in the columnar photo-electrodes with a cross sectional area of ∼1 μm 2 and porosity of 55%, by a simple and low cost fabrication process. Our results open up a promising approach to achieve solar cells with higher efficiencies by engineering the photo-electrode structure

  5. Improved osteoblasts growth on osteomimetic hydroxyapatite/BaTiO{sub 3} composites with aligned lamellar porous structure

    Liu, Beilei [Department of Stomatology, Third Xiangya Hospital, Central South University, Changsha, Hunan 410013 (China); Chen, Liangjian, E-mail: jian007040@sina.com [Department of Stomatology, Third Xiangya Hospital, Central South University, Changsha, Hunan 410013 (China); State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Shao, Chunsheng [Department of Stomatology, Third Xiangya Hospital, Central South University, Changsha, Hunan 410013 (China); Zhang, Fuqiang; Zhou, Kechao [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China); Cao, Jun [Department of Stomatology, Third Xiangya Hospital, Central South University, Changsha, Hunan 410013 (China); Zhang, Dou, E-mail: dzhang@csu.edu.cn [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China)

    2016-04-01

    Osteoblasts growing into bone substitute is an important step of bone regeneration. This study prepared porous hydroxyapatite (HA)/BaTiO{sub 3} piezoelectric composites with porosity of 40%, 50% and 60% by ice-templating method. Effects of HA/BaTiO{sub 3} composites with different porosities, with and without polarizing treatment on adhesion, proliferation and differentiation of osteoblasts were investigated in vitro. Results revealed that cell densities of the porous groups were significantly higher than those of the dense group (p < 0.05), so did the alkaline phosphate (ALP) and bone gla protein (BGP) activities. Porosity of 50% group exhibited higher ALP activity and BGP activity than those of the 40% and 60% groups. Scanning electron microscopy (SEM) observations revealed that osteoblasts adhered and stretched better on porous HA/BaTiO{sub 3} than on the dense one, especially HA/BaTiO{sub 3} with porosity of 50% and 60%. However, there was no significant difference in the cell morphology, cell densities, ALP and BGP activities between the polarized group and the non-polarized group (p > 0.05). The absence of mechanical loading on the polarized samples may account for this. The results indicated that hierarchically porous HA/BaTiO{sub 3} played a favorable part in osteoblasts proliferation, differentiation and adhesion process and is a promising bone substitute material. - Graphical abstract: Aligned porous structure of HA/BaTiO{sub 3} piezoelectric composites prepared by ice-templating method was similar to the lamellar Haversian system in bone tissue. When co-cultured with human osteosarcoma cells (MG63), porous HA/BaTiO{sub 3} composites exhibited remarkable biological activity in promoting proliferation, differentiation and adhesion of MG63 cells. - Highlights: • The aligned porous structure of HA/BaTiO{sub 3} composite was similar to the lamellar Haversian system in bone tissue. • The piezoelectric d{sub 33} coefficient of HA/BaTiO{sub 3} with porosity

  6. Porous materials with gradient and biporous structure, methods of their production

    Ilyuschenko, A.; Savich, V.; Pilinevich, L.; Rak, A.

    2001-01-01

    We have worked out the technology of production porous powder materials (PPMs) of bronze, nickel, corrosion resistant steel and titanium powders with gradient and (or) biporous structure: vibrating forming of metal powders (including in electromagnetic field); layer-by-layer forming of metal powders with pore-maker while different proportion of the latter in the layer; forming of powder polymer layer on the preliminary sintered metal PPM surface. We have worked out the technology of production biporous structure by the following methods: metal granules forming and sintering; forming and sintering of metal powder with granules (2-3 mm) and pores-forming powder (size of particles is 0,4-0,63 mm). The novelty is in creation of technological bases of pores sizes regulation from 5 mkm on one PPM surface to 120 mkm on the opposite PPM surface which thickness can be 2-6 mm. PPM porosity can be constant within 0,3-0,6 relative units. More effective are those PPM which pores sizes are changeable and also porosity (from 0,35 to 0,60) from one surface o the opposite one. Two-layer metal-polymer PPM have pores sizes of 20-40 mkm in polymer layer and porosity 0,4-0,5 and, correspondingly, in metal layer 80-100 mkm and 0,45-0,55. In biporous structures made of 2-3 mm metal granules the distance between granules is 300-600 mkm and in granules - 14-30 mkm. The integral porosity of such PPM is 0,55-0,70. The technology of forming and sintering metal powder with granules and pores-making powder (carbamide) enables to regulate the integral porosity within 0,7-0,8 and average pores sizes within 100-1000 mkm with average size of metal powder particles of 0,63-1,0 mm. (author)

  7. Porous organic cages

    Tozawa, Tomokazu; Jones, James T. A.; Swamy, Shashikala I.; Jiang, Shan; Adams, Dave J.; Shakespeare, Stephen; Clowes, Rob; Bradshaw, Darren; Hasell, Tom; Chong, Samantha Y.; Tang, Chiu; Thompson, Stephen; Parker, Julia; Trewin, Abbie; Bacsa, John; Slawin, Alexandra M. Z.; Steiner, Alexander; Cooper, Andrew I.

    2009-12-01

    Porous materials are important in a wide range of applications including molecular separations and catalysis. We demonstrate that covalently bonded organic cages can assemble into crystalline microporous materials. The porosity is prefabricated and intrinsic to the molecular cage structure, as opposed to being formed by non-covalent self-assembly of non-porous sub-units. The three-dimensional connectivity between the cage windows is controlled by varying the chemical functionality such that either non-porous or permanently porous assemblies can be produced. Surface areas and gas uptakes for the latter exceed comparable molecular solids. One of the cages can be converted by recrystallization to produce either porous or non-porous polymorphs with apparent Brunauer-Emmett-Teller surface areas of 550 and 23m2g-1, respectively. These results suggest design principles for responsive porous organic solids and for the modular construction of extended materials from prefabricated molecular pores.

  8. 2D nickel oxide nanosheets with highly porous structure for high performance capacitive energy storage

    Li, Zijiong; Zhang, Weiyang; Liu, Yanyue; Guo, Jinjin; Yang, Baocheng

    2018-01-01

    Developing advanced electrochemical electrode materials with excellent performance is critical to their future energy storage devices. Herein, we design and synthesize two-dimensional (2D) porous structure nickel oxide (NiO) nanosheets via a facile and scalable hydrothermal approach, and further heating. The effects of heating time on the electrochemical performances are investigated. The results indicate that the maximum specific capacitance is achieved for NiO nanosheets when heating temperature and time are 300 °C and 3 h, respectively (namely NiO-3). The as-prepared NiO-3 nanosheet are grown uniform on the skeleton of reduced graphene oxide (rGO). The optimum NiO/rGO displays a reversible discharge capacity of 781.7 F g-1 at 1 A g-1, and shows an ultra-long life-span with over 94% capacitance retention after 4000 cycles. The enhanced electrochemical properties for NiO/rGO can be ascribed to a collaborative effect between NiO and rGO, which possess high capacitance storage ability and excellent conductivity, respectively.

  9. Porous structure and surface chemistry of phosphoric acid activated carbon from corncob

    Sych, N. V.; Trofymenko, S. I.; Poddubnaya, O. I.; Tsyba, M. M.; Sapsay, V. I.; Klymchuk, D. O.; Puziy, A. M.

    2012-11-01

    Active carbons have been prepared from corncob using chemical activation with phosphoric acid at 400 °C using varied ratio of impregnation (RI). Porous structure of carbons was characterized by nitrogen adsorption and scanning electron microscopy. Surface chemistry was studied by IR and potentiometric titration method. It has been shown that porosity development was peaked at RI = 1.0 (SBET = 2081 m2/g, Vtot = 1.1 cm3/g), while maximum amount of acid surface groups was observed at RI = 1.25. Acid surface groups of phosphoric acid activated carbons from corncob includes phosphate and strongly acidic carboxylic (pK = 2.0-2.6), weakly acidic carboxylic (pK = 4.7-5.0), enol/lactone (pK = 6.7-7.4; 8.8-9.4) and phenol (pK = 10.1-10.7). Corncob derived carbons showed high adsorption capacity to copper, especially at low pH. Maximum adsorption of methylene blue and iodine was observed for carbon with most developed porosity (RI = 1.0).

  10. Analytical model of impurity concentration during steam generation in permeable porous structures

    Polonskii, V.S.; Orlov, A.V.

    1993-01-01

    A model is proposed to describe the mass transfer of impurities during steam generation on a surface covered by porous deposits of corrosion products. The model is based on replacement of the actual structure of the deposits by a system of cylindrical fluid and vapor channels in which the flow of vapor and a liquid film is described by the Navier-Stokes equations. The driving force in the process is assumed to be the difference in the Laplacian pressures due to surface tension on the front and back sides of elongated vapor bubbles. Calculations performed for the operating conditions of the drums of the steam generators of nuclear power plants with water-moderated water-cooled reactors show that the mass transfer rate is extremely low in the gaps in cold drums and that the concentration of aggressive impurities deep within these channels may reach two or more orders of magnitude-thus leading to rapid corrosion. Almost complete vaporization occurs in the capillary channels of hot drums with deposits, which probably precludes corrosion in the channel depths. However, corrosion damage remains a possibility at the entrance to the channels (on the side of the second loop)

  11. Influence of preparation conditions on porous structures of olive stone activated by H3PO4

    Yavuz, Reha; Akyildiz, Hanife; Karatepe, Nilguen; Cetinkaya, Eda

    2010-01-01

    An olive factory residue was used as a precursor in the preparation of granular activated carbon by chemical activation with H 3 PO 4 . Effects of final activation temperature, time, and H 3 PO 4 concentration used in the impregnation stage on the porous development were investigated. SO 2 adsorption experiments were also performed for some of the activated carbon samples to represent their adsorption performance. Activation at low temperature represented that micropores were developed first at early stages of the temperatures. Mesoporosity developed at around 250 C, enhanced up to 400 C, and then started to decrease due to possibly shrinking of pores. The optimum temperature for olive stone was found to be around 400 C on the basis of total pore volume and BET surface area. It was clearly demonstrated that H 3 PO 4 concentration used in the impregnation stage was not only effective for development of surface area and pore volumes but also an effective tool for tailoring the pore structure and size distribution. (author)

  12. Porous Structures in Stacked, Crumpled and Pillared Graphene-Based 3D Materials.

    Guo, Fei; Creighton, Megan; Chen, Yantao; Hurt, Robert; Külaots, Indrek

    2014-01-01

    Graphene, an atomically thin material with the theoretical surface area of 2600 m 2 g -1 , has great potential in the fields of catalysis, separation, and gas storage if properly assembled into functional 3D materials at large scale. In ideal non-interacting ensembles of non-porous multilayer graphene plates, the surface area can be adequately estimated using the simple geometric law ~ 2600 m 2 g -1 /N, where N is the number of graphene sheets per plate. Some processing operations, however, lead to secondary plate-plate stacking, folding, crumpling or pillaring, which give rise to more complex structures. Here we show that bulk samples of multilayer graphene plates stack in an irregular fashion that preserves the 2600/N surface area and creates regular slot-like pores with sizes that are multiples of the unit plate thickness. In contrast, graphene oxide deposits into films with massive area loss (2600 to 40 m 2 g -1 ) due to nearly perfect alignment and stacking during the drying process. Pillaring graphene oxide sheets by co-deposition of colloidal-phase particle-based spacers has the potential to partially restore the large monolayer surface. Surface areas as high as 1000 m 2 g -1 are demonstrated here through colloidal-phase deposition of graphene oxide with water-dispersible aryl-sulfonated ultrafine carbon black as a pillaring agent.

  13. Effects of confinement in meso-porous silica and carbon nano-structures

    Leon, V.

    2006-07-01

    Physico-chemical properties of materials can be strongly modified by confinement because of the quantum effects that appear at such small length scales and also because of the effects of the confinement itself. The aim of this thesis is to show that both the nature of the confining material and the size of the pores and cavities have a strong impact on the confined material. We first show the effect of the pore size of the host meso-porous silica on the temperature of the solid-solid phase transition of silver selenide, a semiconducting material with enhanced magnetoresistive properties under non-stoichiometric conditions. Narrowing the pores from 20 nm to 2 nm raises the phase transition temperature from 139 C to 146 C. This result can be explained by considering the interaction between the confining and confined materials as a driving force. The effects of confinement are also studied in the case of hydrogen and deuterium inside cavities of organized carbon nano-structures. The effects that appear in the adsorption/desorption cycles are much stronger with carbon nano-horns as the host material than with C60 pea-pods and single-walled carbon nano-tubes. (author)

  14. Structural properties of porous materials and powders used in different fields of science and technology

    Volfkovich, Yury Mironovich; Bagotsky, Vladimir Sergeevich

    2014-01-01

    This book provides a comprehensive and concise description of most important aspects of experimental and theoretical investigations of porous materials and powders, with the use and application of these materials in different fields of science, technology, national economy and environment. It allows the reader to understand the basic regularities of heat and mass transfer and adsorption occurring in qualitatively different porous materials and products, and allows the reader to optimize the functional properties of porous and powdered products and materials. Written in an straightforward and transparent manner, this book is accessible to both experts and those without specialist knowledge, and it is further elucidated by drawings, schemes and photographs. Porous materials and powders with different pore sizes are used in many areas of industry, geology, agriculture and science. These areas include (i) a variety of devices and supplies; (ii) thermal insulation and building materials; (iii) oil-bearing geologic...

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

    Li, Jun; Brown, Donald; Calo, Victor M.; Efendiev, Yalchin R.; Illiev, Oleg

    2013-01-01

    .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

  16. Thermo-hydro-mechanical simulation of a 3D fractured porous rock: preliminary study of coupled matrix-fracture hydraulics

    Canamon, I.; Javier Elorza, F.; Ababou, R.

    2007-01-01

    We present a problem involving the modeling of coupled flow and elastic strain in a 3D fractured porous rock, which requires prior homogenization (up-scaling) of the fractured medium into an equivalent Darcian anisotropic continuum. The governing equations form a system of PDE's (Partial Differential Equations) and, depending on the case being considered, this system may involve two different types of 'couplings' (in a real system, both couplings (1) and (2) generally take place): 1) Hydraulic coupling in a single (no exchange) or in a dual matrix-fracture continuum (exchange); 2) Thermo-Hydro-Mechanical interactions between fluid flow, pressure, elastic stress, strain, and temperature. We present here a preliminary model and simulation results with FEMLAB R , for the hydraulic problem with anisotropic heterogeneous coefficients. The model is based on data collected at an instrumented granitic site (FEBEX project) for studying a hypothetical nuclear waste repository at the Grimsel Test Site in the Swiss Alps. (authors)

  17. Characterization of the nanosized porous structure of black Si solar cells fabricated via a screen printing process

    Tang Yehua; Fei Jianming; Cao Hongbin; Zhou Chunlan; Wang Wenjing; Zhou Su; Zhao Yan; Zhao Lei; Li Hailing; Yan Baojun; Chen Jingwei

    2012-01-01

    A silicon (Si) surface with a nanosized porous structure was formed via simple wet chemical etching catalyzed by gold (Au) nanoparticles on p-type Cz-Si (100).The average reflectivity from 300 to 1200 nm was less than 1.5%.Black Si solar cells were then fabricated using a conventional production process.The results reflected the output characteristics of the cells fabricated using different etching depths and emitter dopant profiles.Heavier dopants and shallower etching depths should be adopted to optimize the black Si solar cell output characteristics.The efficiency at the optimized etching time and dopant profile was 12.17%.However,surface passivation and electrode contact due to the nanosized porous surface structure are still obstacles to obtaining high conversion efficiency for the black Si solar cells.

  18. Porous media modeling and micro-structurally motivated material moduli determination via the micro-dilatation theory

    Jeong, J.; Ramézani, H.; Sardini, P.; Kondo, D.; Ponson, L.; Siitari-Kauppi, M.

    2015-07-01

    In the present contribution, the porous material modeling and micro-structural material parameters determination are scrutinized via the micro-dilatation theory. The main goal is to take advantage of the micro-dilatation theory which belongs to the generalized continuum media. In the first stage, the thermodynamic laws are entirely revised to reach the energy balance relation using three variables, deformation, porosity change and its gradient underlying the porous media as described in the micro-dilatation theory or so-called void elasticity. Two experiments over cement mortar specimens are performed in order to highlight the material parameters related to the pore structure. The shrinkage due to CO2 carbonation, porosity and its gradient are calculated. The extracted values are verified via 14C-PMMA radiographic image method. The modeling of swelling phenomenon of Delayed Ettringite Formation (DEF) is studied later on. This issue is performed via the crystallization pressure application using the micro-dilatation theory.

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

    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.

  20. Subset simulation for structural reliability sensitivity analysis

    Song Shufang; Lu Zhenzhou; Qiao Hongwei

    2009-01-01

    Based on two procedures for efficiently generating conditional samples, i.e. Markov chain Monte Carlo (MCMC) simulation and importance sampling (IS), two reliability sensitivity (RS) algorithms are presented. On the basis of reliability analysis of Subset simulation (Subsim), the RS of the failure probability with respect to the distribution parameter of the basic variable is transformed as a set of RS of conditional failure probabilities with respect to the distribution parameter of the basic variable. By use of the conditional samples generated by MCMC simulation and IS, procedures are established to estimate the RS of the conditional failure probabilities. The formulae of the RS estimator, its variance and its coefficient of variation are derived in detail. The results of the illustrations show high efficiency and high precision of the presented algorithms, and it is suitable for highly nonlinear limit state equation and structural system with single and multiple failure modes

  1. Subsurface Transport Over Reactive Multiphases (STORM): A Parallel, Coupled, Nonisothermal Multiphase Flow, Reactive Transport, and Porous Medium Alteration Simulator, Version 3.0

    Bacon, Diana H.; White, Mark D.; McGrail, B PETER

    2004-01-01

    The U.S. Department of Energy must approve a performance assessment (PA) to support the design, construction, approval, and closure of disposal facilities for immobilized low-activity waste (ILAW) currently stored in underground tanks at Hanford, Washington. A critical component of the PA is to provide quantitative estimates of radionuclide release rates from the engineered portion of the disposal facilities. Computer simulations are essential for this purpose because impacts on groundwater resources must be projected to periods of 10,000 years and longer. The computer code selected for simulating the radionuclide release rates is the Subsurface Transport Over Reactive Multiphases (STORM) simulator. The STORM simulator solves coupled conservation equations for component mass and energy that describe subsurface flow over aqueous and gas phases through variably saturated geologic media. The resulting flow fields are used to sequentially solve conservation equations for reactive aqueous phase transport through variably saturated geologic media. These conservation equations for component mass, energy, and solute mass are partial differential equations that mathematically describe flow and transport through porous media. The STORM simulator solves the governing-conservation equations and constitutive functions using numerical techniques for nonlinear systems. The partial differential equations governing thermal and fluid flow processes are solved by the integral volume finite difference method. These governing equations are solved simultaneously using Newton-Raphson iteration. The partial differential equations governing reactive solute transport are solved using either an operator split technique where geochemical reactions and solute transport are solved separately, or a fully coupled technique where these equations are solved simultaneously. The STORM simulator is written in the FORTRAN 77 language, following American National Standards Institute (ANSI) standards

  2. Dynamic seismic signatures of saturated porous rocks containing two orthogonal sets of fractures: theory versus numerical simulations

    Guo, Junxin; Rubino, J. Germán; Glubokovskikh, Stanislav; Gurevich, Boris

    2018-05-01

    The dispersion and attenuation of seismic waves are potentially important attributes for the non-invasive detection and characterization of fracture networks. A primary mechanism for these phenomena is wave-induced fluid flow (WIFF), which can take place between fractures and their embedding background (FB-WIFF), as well as within connected fractures (FF-WIFF). In this work, we propose a theoretical approach to quantify seismic dispersion and attenuation related to these two manifestations of WIFF in saturated porous rocks permeated by two orthogonal sets of fractures. The methodology is based on existing theoretical models for rocks with aligned fractures, and we consider three types of fracture geometries, namely, periodic planar fractures, randomly spaced planar fractures and penny-shaped cracks. Synthetic 2-D rock samples with different degrees of fracture intersections are then explored by considering both the proposed theoretical approach and a numerical upscaling procedure that provides the effective seismic properties of generic heterogeneous porous media. The results show that the theoretical predictions are in overall good agreement with the numerical simulations, in terms of both the stiffness coefficients and the anisotropic properties. For the seismic dispersion and attenuation caused by FB-WIFF, the theoretical model for penny-shaped cracks matches the numerical simulations best, whereas for representing the effects due to FF-WIFF the periodic planar fractures model turns out to be the most suitable one. The proposed theoretical approach is easy to apply and is applicable not only to 2-D but also to 3-D fracture systems. Hence, it has the potential to constitute a useful framework for the seismic characterization of fractured reservoirs, especially in the presence of intersecting fractures.

  3. Coupled Hydromechanical and Electromagnetic Responses in Unsaturated Porous Media: Theory, Observation, and Numerical Simulations

    Mahardika, Harry

    Hydromechanical energy can be partially converted into electromagnetic energy due to electrokinetic effect, where mechanical energy causes the relative displacement of the charged pore water with respect to the solid skeleton of the porous material and generated electrical current density. An application of this phenomenon is seismoelectric method, a geophysical method in which electromagnetic signals are recorded and associated with the propagation of seismic waves. Due to its coupling nature, seismoelectric method promises advantages in characterizing the subsurface properties and geometry compared to independent employments of seismic or electromagnetic acquisition alone. Since the recorded seismoelectric signal are sensitive to water content changes this method have been applied for groundwater studies to delineates vadoze zone-aquifer boundary since the last twenty years. The problem, however, the existing governing equations of coupled seismic and electromagnetic are not accounted for unsaturated conditions and its petrophysical sensitivity to water content. In this thesis we extend the applications of seismoelectric method for unsaturated porous medium for several geophysical problems. (1) We begin our study with numerical study to localize and characterize a seismic event induced by hydraulic fracturing operation sedimentary rocks. In this problem, we use the fully-saturated case of seismoelectric method and we propose a new joint inversion scheme (seismic and seismoelectric) to determine the position and moment tensor that event. (2) We expand the seismoelectric theory for unsaturated condition and show that the generation of electrical current density are depend on several important petrophysical properties that are sensitive to water content. This new expansion of governing equation provide us theory for developing a new approach for seismoelectric method to image the oil water encroachment front during water flooding of an oil reservoir or an aquifer

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

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

    In this paper we describe the OpenGeoSys (OGS) project, which is a scientific open-source initiative for numerical simulation of thermo-hydro-mechanical/chemical processes in porous media. The basic concept is to provide a flexible numerical framework (using primarily the Finite Element Method (FEM...

  5. Simulation results for a multirate mass transfer modell for immiscible displacement of two fluids in highly heterogeneous porous media

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

    2013-04-01

    Flow processes in geotechnical applications do often take place in highly heterogeneous porous media, such as fractured rock. Since, in this type of media, classical modelling approaches are problematic, flow and transport is often modelled using multi-continua approaches. From such approaches, multirate mass transfer models (mrmt) can be derived to describe the flow and transport in the "fast" or mobile zone of the medium. The porous media is then modeled with one mobile zone and multiple immobile zones, where the immobile zones are connected to the mobile zone by single rate mass transfer. We proceed from a mrmt model for immiscible displacement of two fluids, where the Buckley-Leverett equation is expanded by a sink-source-term which is nonlocal in time. This sink-source-term models exchange with an immobile zone with mass transfer driven by capillary diffusion. This nonlinear diffusive mass transfer can be approximated for particular imbibition or drainage cases by a linear process. We present a numerical scheme for this model together with simulation results for a single fracture test case. We solve the mrmt model with the finite volume method and explicit time integration. The sink-source-term is transformed to multiple single rate mass transfer processes, as shown by Carrera et. al. (1998), to make it local in time. With numerical simulations we studied immiscible displacement in a single fracture test case. To do this we calculated the flow parameters using information about the geometry and the integral solution for two phase flow by McWorther and Sunnada (1990). Comparision to the results of the full two dimensional two phase flow model by Flemisch et. al. (2011) show good similarities of the saturation breakthrough curves. Carrera, J., Sanchez-Vila, X., Benet, I., Medina, A., Galarza, G., and Guimera, J.: On matrix diffusion: formulations, solution methods and qualitative effects, Hydrogeology Journal, 6, 178-190, 1998. Flemisch, B., Darcis, M

  6. Synthesis of nickel-incorporated larch-based carbon membranes with controllable porous structure for gas separation

    Zhao, Xin; Li, Wei; Huang, Zhanhua; Liu, Shouxin, E-mail: chemist@126.com, E-mail: liushouxin@126.com [Northeast Forestry University, College of Material Science and Engineering (China)

    2015-11-15

    Ni-incorporated larch-based carbon membranes have been synthesized by introducing the Ni(NO{sub 3}){sub 2} into the liquefied larch using liquefied larch sawdust as precursors and F127 as the soft template. The porous structure can be tailored by the amount of Ni(NO{sub 3}){sub 2}, and the Ni and NiO nanoparticles with a size of 10 nm incorporated in the carbon frameworks. The increase in Ni(NO{sub 3}){sub 2} content can lead to the formation of disordered porous structure and shrinkage of carbon frameworks. The Ni-incorporated carbon membranes with largest pores possess highest gas permeation for N{sub 2}, CO{sub 2}, and O{sub 2} of 37.5, 19.8, and 55.5 m{sup 3} cm/m{sup 2} h kPa, which is larger than that of the pure carbon membranes, respectively. However, the poor ordered porous structure caused by adding large amount of Ni(NO{sub 3}){sub 2} can reduce the gas separation performance, which is attributed to the weaken of the molecular sieve function. The results indicate that the incorporation of few nanoparticles into larch-based carbon membranes can improve molecular sieve function.Graphical abstractNi-incorporated larch-based carbon membranes have been synthesized by introducing the Ni(NO{sub 3}){sub 2} into the liquefied larch. The porous structure can be tailored by the amount of Ni(NO{sub 3}){sub 2}, and the Ni and NiO nanoparticles incorporated in the carbon frameworks. The Ni-incorporated carbon membranes with largest pores possess highest gas permeation and gas permseparation.

  7. Effect of the porous structure of activated carbon on the adsorption kinetics of gold(I) cyanide complex

    Ibragimova, P. I.; Grebennikov, S. F.; Gur'yanov, V. V.; Fedyukevich, V. A.; Vorob'ev-Desyatovskii, N. V.

    2014-06-01

    The effect the porous structure of activated carbons obtained from furfural and coconut shells has on the kinetics of [Au(CN)2]- ion adsorption is studied. Effective diffusion coefficients for [Au(CN)2]- anions in transport and adsorbing pores and mass transfer coefficients in a transport system of the pores and in microporous zones are calculated using the statistical moments of the kinetic curve.

  8. Electrical investigation of the Au/n+–GaAs and Au/n-porous GaAs structures

    Saghrouni, H.; Hannachi, R.; Jomni, S.; Beji, L.

    2013-01-01

    The electrical properties of Au/n + –GaAs and Au/n-porous GaAs metal–semiconductor structures were investigated using room temperature current–voltage I(V) and capacitance–voltage C(V) measurements. The electrical parameters of these structures such as ideality factor, barrier height potential, series resistance have been calculated. The obtained parameters of Au/n-porous GaAs structure were discussed and compared to those of Au/n + –GaAs structure. The series resistances and ideality factors of the two structures were seen to have approximately the same values. Furthermore, the shunt resistance and the barrier height potential values for the Au/n-porous GaAs structure were found to be different than the ones of Au/n + –GaAs structure. Furthermore the two structures showed a non-ideal I(V) behavior with an ideality factor greater than unity. Such non ideal behavior was suggested to be due to the existence of high density of trap and the forward I(V) characteristics which were governed by space charge limited conductivity, characterized by single and exponential trapping levels in both structures (SCLC). A model based upon TFE tunneling of carriers at reverse current was used to explain the non-saturation of reverse current of the structures. The high frequency C(V) characteristics of the structure reveal the presence of an anomalous behavior at the forward bias. Though the capacitance reaches a peak, it remarkably decreases with an increasing bias voltage suggested by the presence of interface states. Furthermore, the energy distribution of interface density in the structures was determined by the forward bias C(V) measurement as well as using ideality factor and barrier height potential values obtained from forward bias I(V) and reverse bias C −2 (V) characteristics, respectively. An estimated energy band diagram for the Au/n + –GaAs and Au/n-porous GaAs structures are presented

  9. Contributions to reinforced concrete structures numerical simulations

    Badel, P.B.

    2001-07-01

    In order to be able to carry out simulations of reinforced concrete structures, it is necessary to know two aspects: the behaviour laws have to reflect the complex behaviour of concrete and a numerical environment has to be developed in order to avoid to the user difficulties due to the softening nature of the behaviour. This work deals with these two subjects. After an accurate estimation of two behaviour models (micro-plan and mesoscopic models), two damage models (the first one using a scalar variable, the other one a tensorial damage of the 2 order) are proposed. These two models belong to the framework of generalized standard materials, which renders their numerical integration easy and efficient. A method of load control is developed in order to make easier the convergence of the calculations. At last, simulations of industrial structures illustrate the efficiency of the method. (O.M.)

  10. Multi-scale high-performance fluid flow: Simulations through porous media

    Perović, Nevena

    2016-08-03

    Computational fluid dynamic (CFD) calculations on geometrically complex domains such as porous media require high geometric discretisation for accurately capturing the tested physical phenomena. Moreover, when considering a large area and analysing local effects, it is necessary to deploy a multi-scale approach that is both memory-intensive and time-consuming. Hence, this type of analysis must be conducted on a high-performance parallel computing infrastructure. In this paper, the coupling of two different scales based on the Navier–Stokes equations and Darcy\\'s law is described followed by the generation of complex geometries, and their discretisation and numerical treatment. Subsequently, the necessary parallelisation techniques and a rather specific tool, which is capable of retrieving data from the supercomputing servers and visualising them during the computation runtime (i.e. in situ) are described. All advantages and possible drawbacks of this approach, together with the preliminary results and sensitivity analyses are discussed in detail.

  11. Simulation of contaminant transport in fractured porous media on triangular meshes

    Dong, Chen

    2010-12-01

    A mathematical model for contaminant species passing through fractured porous media is presented. In the numerical model, we combine two locally conservative methods, i.e. mixed finite element (MFE) and the finite volume (FV) methods. Adaptive triangle mesh is used for effective treatment of the fractures. A hybrid MFE method is employed to provide an accurate approximation of velocities field for both the fractures and matrix which are crucial to the convection part of the transport equation. The FV method and the standard MFE method are used to approximate the convection and dispersion terms respectively. Numerical examples in a medium containing fracture network illustrate the robustness and efficiency of the proposed numerical model. © 2010 IEEE.

  12. Numerical Simulation for Magneto Nanofluid Flow Through a Porous Space with Melting Heat Transfer

    Hayat, T.; Shah, Faisal; Alsaedi, A.; Waqas, M.

    2018-05-01

    Melting heat transfer and non-Darcy porous medium effects in MHD stagnation point flow toward a stretching surface of variable thickness are addressed. Brownian motion and thermophoresis in nanofluid modeling are retained. Zero mass flux condition for concentration at surface is imposed. The problem of ordinary differential system are analyzed numerically through shooting technique. Graphically results of various physical variables on the velocity, temperature and concentration are studied. Skin friction coefficient local Nusselt number and Sherwood number are also addressed through tabulated values. The results described here illustrate that the velocity field is higher via larger melting parameter. However reverse situation is examined for Hartman number. Moreover the influence of thermophoresis parameter on temperature and concentration is noted similar.

  13. Numerical Simulation for Magneto Nanofluid Flow Through a Porous Space with Melting Heat Transfer

    Hayat, T.; Shah, Faisal; Alsaedi, A.; Waqas, M.

    2018-02-01

    Melting heat transfer and non-Darcy porous medium effects in MHD stagnation point flow toward a stretching surface of variable thickness are addressed. Brownian motion and thermophoresis in nanofluid modeling are retained. Zero mass flux condition for concentration at surface is imposed. The problem of ordinary differential system are analyzed numerically through shooting technique. Graphically results of various physical variables on the velocity, temperature and concentration are studied. Skin friction coefficient local Nusselt number and Sherwood number are also addressed through tabulated values. The results described here illustrate that the velocity field is higher via larger melting parameter. However reverse situation is examined for Hartman number. Moreover the influence of thermophoresis parameter on temperature and concentration is noted similar.

  14. Pore-scale simulations of concentration tails in heterogeneous porous media

    Di Palma, Paolo Roberto; Parmigiani, Andrea; Huber, Christian; Guyennon, Nicolas; Viotti, Paolo

    2017-10-01

    The retention of contaminants in the finest and less-conductive regions of natural aquifer is known to strongly affect the decontamination of polluted aquifers. In fact, contaminant transfer from low to high mobility regions at the back end of a contaminant plume (i.e. back diffusion) is responsible for the long-term release of contaminants during remediation operation. In this paper, we perform pore-scale calculations for the transport of contaminant through heterogeneous porous media composed of low and high mobility regions with two objectives: (i) study the effect of permeability contrast and solute transport conditions on the exchange of solutes between mobile and immobile regions and (ii) estimate the mass of contaminants sequestered in low mobility regions based on concentration breakthrough curves.

  15. Multi-scale high-performance fluid flow: Simulations through porous media

    Perović, Nevena; Frisch, Jé rô me; Salama, Amgad; Sun, Shuyu; Rank, Ernst; Mundani, Ralf Peter

    2016-01-01

    Computational fluid dynamic (CFD) calculations on geometrically complex domains such as porous media require high geometric discretisation for accurately capturing the tested physical phenomena. Moreover, when considering a large area and analysing local effects, it is necessary to deploy a multi-scale approach that is both memory-intensive and time-consuming. Hence, this type of analysis must be conducted on a high-performance parallel computing infrastructure. In this paper, the coupling of two different scales based on the Navier–Stokes equations and Darcy's law is described followed by the generation of complex geometries, and their discretisation and numerical treatment. Subsequently, the necessary parallelisation techniques and a rather specific tool, which is capable of retrieving data from the supercomputing servers and visualising them during the computation runtime (i.e. in situ) are described. All advantages and possible drawbacks of this approach, together with the preliminary results and sensitivity analyses are discussed in detail.

  16. Simulation of contaminant transport in fractured porous media on triangular meshes

    Dong, Chen; Sun, Shuyu

    2010-01-01

    A mathematical model for contaminant species passing through fractured porous media is presented. In the numerical model, we combine two locally conservative methods, i.e. mixed finite element (MFE) and the finite volume (FV) methods. Adaptive triangle mesh is used for effective treatment of the fractures. A hybrid MFE method is employed to provide an accurate approximation of velocities field for both the fractures and matrix which are crucial to the convection part of the transport equation. The FV method and the standard MFE method are used to approximate the convection and dispersion terms respectively. Numerical examples in a medium containing fracture network illustrate the robustness and efficiency of the proposed numerical model. © 2010 IEEE.

  17. Structure and properties of porous TiNi(Co, Mo)-based alloy produced by the reaction sintering

    Artyukhova, Nadezda; Yasenchuk, Yuriy; Chekalkin, Timofey; Gunther, Victor; Kim, Ji-Soon; Kang, Ji-Hoon

    2016-10-01

    Modern medical technologies have developed many new devices that can be implanted into humans to repair, assist or take the place of diseased or defective bones, arteries and even organs. The materials, especially porous ones, used for these devices have evolved steadily over the past twenty years with TiNi-based alloys replacing stainless steels and titanium. The aim of the paper is to presents results for examination of porous TiNi(Co,Mo)-based alloys intended further to be used in clinical practice. The structure and properties of porous TiNi-based alloys obtained by reaction sintering of Ti and Ni powders with additions of Co and Mo have been studied. It has been shown that alloying additions both Co and Mo inhibit the compaction of nickel powders in the initial stage of sintering. The maximum irreversible strain of porous samples under loading in the austenitic state is fixed with the Co addition, and the minimum one is fixed with the Mo addition. The Co addition leads to the fact that the martensite transformation in the TiNi phase becomes close to a one-step, and the Mo addition leads to the fact that the martensite transformation becomes more uniform. Both Co and Mo lead to an increase in the maximum accumulated strain as a result of the formation of temperature martensite. The additional increase in the maximum accumulated strain of the Ti50Ni49Co1 alloy is caused by decreased resistance of the porous Ni γ -based mass during the load.

  18. Synthesis of nickel-incorporated larch-based carbon membranes with controllable porous structure for gas separation

    Zhao, Xin; Li, Wei; Huang, Zhanhua; Liu, Shouxin

    2015-11-01

    Ni-incorporated larch-based carbon membranes have been synthesized by introducing the Ni(NO3)2 into the liquefied larch using liquefied larch sawdust as precursors and F127 as the soft template. The porous structure can be tailored by the amount of Ni(NO3)2, and the Ni and NiO nanoparticles with a size of 10 nm incorporated in the carbon frameworks. The increase in Ni(NO3)2 content can lead to the formation of disordered porous structure and shrinkage of carbon frameworks. The Ni-incorporated carbon membranes with largest pores possess highest gas permeation for N2, CO2, and O2 of 37.5, 19.8, and 55.5 m3 cm/m2 h kPa, which is larger than that of the pure carbon membranes, respectively. However, the poor ordered porous structure caused by adding large amount of Ni(NO3)2 can reduce the gas separation performance, which is attributed to the weaken of the molecular sieve function. The results indicate that the incorporation of few nanoparticles into larch-based carbon membranes can improve molecular sieve function.

  19. Facile Control of the Porous Structure of Larch-Derived Mesoporous Carbons via Self-Assembly for Supercapacitors

    Xin Zhao

    2017-11-01

    Full Text Available Mesoporous carbons have been successfully synthesized via self-assembly using larch-based resins as precursors and triblock copolymers as soft templates. The porous structure of mesoporous carbons can be tailored by adjusting the ratio of hydrophilic/hydrophobic (EO/PO units owing to interfacial curvature. Interestingly, the porous structures show a distinct change from vortex-like to worm-like pores, to stripe-like pores, and to ordered two-dimensional hexagonal pores as the ratio of hydrophilic/hydrophobic units increases, indicating the significant effect of EO/PO ratio on the porous structure. The mesoporous carbons as supercapacitor electrodes exhibit superior electrochemical capacitive performance and a high degree of reversibility after 2000 cycles for supercapacitors due to the well-defined mesoporosity of the carbon materials. Meanwhile, the superior carbon has a high specific capacitance of 107 F·g−1 in 6 M KOH at a current density of 10 A·g−1.

  20. Synthesis and characterization of porous structured ZnO thin film for dye sensitized solar cell applications

    Marimuthu, T.; Anandhan, N., E-mail: anandhan-kn@rediffmail.com; Mummoorthi, M. [School of Physics, Alagappa University, Karaikudi – 630 003 (India); Dharuman, V. [Department of Bioelectronics and Biosensors, Alagappa University, Karaikudi – 630 003 (India)

    2016-05-23

    Zinc oxide (ZnO) and zinc oxide/eosin yellow (ZnO/EY) thin films were potentiostatically deposited onto fluorine doped tin oxide (FTO) glass substrate. Effect of eosin yellow dye on structural, morphological and optical properties was studied. X-ray diffraction patterns, micro Raman spectra and photoluminescence (PL) spectra reveal hexagonal wurtzite structure with less atomic defects in 101 plane orientation of the ZnO/EY film. Scanning electron microscopy (SEM) images show flower for ZnO and porous like structure for ZnO/EY thin film, respectively. DSSC was constructed and evaluated by measuring the current density verses voltage curve.

  1. Stabilization and operation of porous silicon photonic structures from near-ultraviolet to near-infrared using high-pressure water vapor annealing

    Gelloz, Bernard; Koshida, Nobuyoshi

    2010-01-01

    The effects of high-pressure water vapor annealing (HWA), electrochemical oxidation, and substrate resistivity on the properties of porous silicon Bragg mirrors and photoluminescent cavities have been investigated. The photonic structures treated by HWA show very good stability upon ageing in air whereas as-formed structures exhibit significant drifts in their optical properties. Using HWA with lightly doped porous silicon, the structure transparency is enhanced sufficiently to enable the possible photonic operation in the near-ultraviolet. However, the index contrast achievable with these structures is very low in the visible and near-infrared. Useful index contrasts in this range can be achieved with either lightly doped porous silicon treated by electrochemical oxidation and HWA or heavily doped porous silicon treated by HWA.

  2. Macroscopic numerical simulation model of multi-constituent fluid flows in porous medium; Modele macroscopique de simulation numerique d'ecoulements de fluides multiconstituants en milieu poreux

    Wilbois, B.

    2003-07-01

    In this work, a new model is built which allows to take into consideration the overall mass transfer phenomena (in particular convection) taking place inside a mixture of n{sub c} constituents in a porous medium. This model should allow to foresee the quantitative composition of fluids in oil fields and also to improve the knowledge of the flow of different species inside mixtures. The overall physical phenomena taking place at oil fields is explained in the first chapter. Chapter 2 recalls some thermodynamical notions at the equilibrium and outside equilibrium. These notions, necessary to understand the forecasting methods used by petroleum geologists, are described in chapter 3. This chapter includes also a bibliographic study about the methods of simulation of mass and heat transfers in porous media. In chapter 4, using the thermodynamical relations of irreversible processes described in chapter 2, a new type of macroscopic model allowing to describe the overall phenomena analyzed is developed. The numerical method used to solve this new system of equations is precised. Finally, chapter 5 proposes a set of cases for the validation of the uncoupled phenomena and some qualitative examples of modeling of coupled phenomena. (J.S.)

  3. Luminescence of porous silicon doped by erbium

    Bondarenko, V.P.; Vorozov, N.N.; Dolgij, L.N.; Dorofeev, A.M.; Kazyuchits, N.M.; Leshok, A.A.; Troyanova, G.N.

    1996-01-01

    The possibility of the 1.54 μm intensive luminescence in the silicon dense porous layers, doped by erbium, with various structures is shown. Low-porous materials of both porous type on the p-type silicon and porous silicon with wood-like structure on the n + type silicon may be used for formation of light-emitting structures

  4. Structural and degradation characteristics of an innovative porous PLGA/TCP scaffold incorporated with bioactive molecular icaritin

    Xie Xinhui; Wang Xinluan; Zhang Ge; He Yixin; Liu Zhong; Peng Jiang; Qin Ling [Department of Orthopaedics and Traumatology, Chinese University of Hong Kong (Hong Kong); Wang Xiaohong; He Kai [Key Laboratory for Advanced Materials Processing Technology, Ministry of Education and Center of Organ Manufacturing, Department of Mechanical Engineering, Tsinghua University, Beijing (China); Leng Yang, E-mail: lingqin@cuhk.edu.h [Department of Mechanical Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong)

    2010-10-01

    Phytomolecules may chemically bind to scaffold materials for medical applications. The present study used an osteoconductive porous poly(l-lactide-co-glycolide)/tricalcium phosphate (PLGA/TCP) to incorporate an exogenous phytoestrogenic molecule icaritin to form a PLGA/TCP/icaritin composite scaffold material with potential slow release of icaritin during scaffold degradation. Accordingly, the present study was designed to investigate its in vitro degradation characteristics and the release pattern of icaritin at three different doses (74 mg, 7.4 mg and 0.74 mg per 100 g PLGA/TCP, i.e. in the PLGA/TCP/icaritin-H, -M and -L groups, respectively). A PLGA/TCP/icaritin porous composite scaffold was fabricated using a computer-controlled printing machine. The PLGA/TCP/icaritin scaffolds were incubated in saline at 37 {sup 0}C for 12 weeks and the pure PLGA/TCP scaffold served as a control. During the 12 weeks in vitro degradation, the scaffolds in all four groups showed changes, including a decrease in weight, volume and pore size of the composite scaffold, while there was a decrease in acidity and an increase in Ca and lactic acid concentrations in the degradation medium, especially after 7 weeks. The rate of degradation was explained by the relationship with the content of icaritin incorporated into the scaffolds. The higher the icaritin content in the scaffolds, the slower the degradation could be observed during 12 weeks. After 12 weeks, the SEM showed that the surface of the PLGA/TCP and PLGA/TCP/icaritin-L groups was relatively smooth with a gradual decrease in number and size of the micropores, while the porous morphology on the surface of the PLGA/TCP/icaritin-M and PLGA/TCP/icaritin-H groups was partly maintained, accompanied by a decrease in phosphate (P) and calcium (Ca) contents at the surface. Though the mechanical property of the PLGA/TCP/icaritin scaffold decreased after degradation, its porous structure was maintained, which was essential for cell

  5. Online Simulation of Radiation Track Structure Project

    Plante, Ianik

    2015-01-01

    Space radiation comprises protons, helium and high charged and energy (HZE) particles. High-energy particles are a concern for human space flight, because they are no known options for shielding astronauts from them. When these ions interact with matter, they damage molecules and create radiolytic species. The pattern of energy deposition and positions of the radiolytic species, called radiation track structure, is highly dependent on the charge and energy of the ion. The radiolytic species damage biological molecules, which may lead to several long-term health effects such as cancer. Because of the importance of heavy ions, the radiation community is very interested in the interaction of HZE particles with DNA, notably with regards to the track structure. A desktop program named RITRACKS was developed to simulate radiation track structure. The goal of this project is to create a web interface to allow registered internal users to use RITRACKS remotely.

  6. Effects of specific surface area and porosity on cube counting fractal dimension, lacunarity, configurational entropy, and permeability of model porous networks: Random packing simulations and NMR micro-imaging study

    Lee, Bum Han; Lee, Sung Keun

    2013-07-01

    Despite the importance of understanding and quantifying the microstructure of porous networks in diverse geologic settings, the effects of the specific surface area and porosity on the key structural parameters of the networks have not been fully understood. We performed cube-counting fractal dimension (Dcc) and lacunarity analyses of 3D porous networks of model sands and configurational entropy analysis of 2D cross sections of model sands using random packing simulations and nuclear magnetic resonance (NMR) micro-imaging. We established relationships among porosity, specific surface area, structural parameters (Dcc and lacunarity), and the corresponding macroscopic properties (configurational entropy and permeability). The Dcc of the 3D porous networks increases with increasing specific surface area at a constant porosity and with increasing porosity at a constant specific surface area. Predictive relationships correlating Dcc, specific surface area, and porosity were also obtained. The lacunarity at the minimum box size decreases with increasing porosity, and that at the intermediate box size (∼0.469 mm in the current model sands) was reproduced well with specific surface area. The maximum configurational entropy increases with increasing porosity, and the entropy length of the pores decreases with increasing specific surface area and was used to calculate the average connectivity among the pores. The correlation among porosity, specific surface area, and permeability is consistent with the prediction from the Kozeny-Carman equation. From the relationship between the permeability and the Dcc of pores, the permeability can be expressed as a function of the Dcc of pores and porosity. The current methods and these newly identified correlations among structural parameters and properties provide improved insights into the nature of porous media and have useful geophysical and hydrological implications for elasticity and shear viscosity of complex composites of rock

  7. Significance of porous structure on degradatin of 2 2' dichloro diethyl sulphide and 2 chloroethyl ethyl sulphide on the surface of vanadium oxide nanostructure

    Singh, Beer, E-mail: beerbs5@rediffmail.com [Defence R and D Establishment, Jhansi Road, Gwalior, M.P 474002 (India); Mahato, T.H.; Srivastava, A.K.; Prasad, G.K.; Ganesan, K.; Vijayaraghavan, R. [Defence R and D Establishment, Jhansi Road, Gwalior, M.P 474002 (India); Jain, Rajeev [School of Studies in Chemistry, Jiwaji University, Gwalior, M.P. 474011 (India)

    2011-06-15

    Degradation of the king of chemical warfare agent, 2 2' dichloro diethyl sulphide (HD), and its simulant 2 chloroethyl ethyl sulphide (CEES) were investigated on the surface of porous vanadium oxide nanotubes at room temperature (30 {+-} 2{sup Degree-Sign }C ). Reaction kinetics was monitored by GC-FID technique and the reaction products were characterized by GC-MS. Data indicates that HD degraded faster relative to CEES inside the solid decontaminant compared to the reported liquid phase degradation of CEES and HD. Data explores the role of hydrolysis, elimination and oxidation reactions in the detoxification of HD and CEES and the first order rate constant and t{sub 1/2} were calculated to be 0.026 h{sup -1}, 26.6 h for CEES and 0.052 h{sup -1}, 13.24 h for HD. In this report faster degradation of HD compared to CEES was explained on the basis of porous structure.

  8. Fabrication of chitosan-silver nanoparticle hybrid 3D porous structure as a SERS substrate for biomedical applications

    Jung, Gyeong-Bok; Kim, Ji-Hye; Burm, Jin Sik; Park, Hun-Kuk

    2013-05-01

    We propose a simple, low-cost, large-area, and functional surface enhanced Raman scattering (SERS) substrate for biomedical applications. The SERS substrate with chitosan-silver nanoparticles (chitosan-Ag NPs) hybrid 3D porous structure was fabricated simply by a one-step method. The chitosan was used as a template for the Ag NPs deposition. SERS enhancement by the chitosan-Ag NPs substrate was experimentally verified using rhodamine B as an analyte. Thiolated single stranded DNA was also measured for atopic dermatitis genetic markers (chemokines CCL17) at a low concentration of 5 pM. We successfully designed a novel SERS substrate with silver nanoparticle hybridized 3D porous chitosan that has the potential to become a highly sensitive and selective tool for biomedical applications.

  9. Structural Contraction of Zeolitic Imidazolate Frameworks: Membrane Application on Porous Metallic Hollow Fibers for Gas Separation.

    Cacho-Bailo, Fernando; Etxeberría-Benavides, Miren; David, Oana; Téllez, Carlos; Coronas, Joaquín

    2017-06-21

    Positive thermal expansion coefficients (TECs) of 52 × 10 -6 and 35 × 10 -6 K -1 were experimentally calculated in the -116 to 250 °C range for the III-phases of zeolitic imidazolate frameworks (ZIF) ZIF-9(Co) and ZIF-7(Zn), respectively, by means of the unit cell dimensions and volume of the materials in the monoclinic crystal system calculated from the XRD patterns. The unit cell dimensions and volume showed a significant expansion phenomenon as the temperature increased, by as much as 5.5% for ZIF-9-III in the studied range. To exploit the advantages of such thermal behavior, a new approach to the fabrication of ZIF-9-III membranes on thin, flexible, and highly porous nickel hollow fiber (Ni HF) supports by a versatile and easy-controllable microfluidic setup is herein reported. These Ni HF supports result from the sintering of 25-μm Ni particles and display very positive mechanical properties and bending resistance. As compared to the traditional polymer-based HF membranes, the ZIF metal-supported membrane exhibited good durability and robustness throughout its operation in a wide temperature range and after heating and cooling cycles. These benefits derive from (1) the pore-plugging membrane configuration resulting from the high porosity of the support and (2) the similarity between the TECs of the ZIF and the metallic support, both positive, which enhances their mutual compatibility. An increase in the H 2 /CO 2 separation selectivity at low temperatures (as high as 22.2 at -10 °C, along with 102 GPU permeance of H 2 ) was achieved, in agreement with the structural variations observed in the ZIF material.

  10. Porous structure and surface chemistry of phosphoric acid activated carbon from corncob

    Sych, N.V.; Trofymenko, S.I.; Poddubnaya, O.I.; Tsyba, M.M.; Sapsay, V.I.; Klymchuk, D.O.; Puziy, A.M.

    2012-01-01

    Highlights: ► Phosphoric acid activation results in formation of carbons with acidic surface groups. ► Maximum amount of surface groups is introduced at impregnation ratio 1.25. ► Phosphoric acid activated carbons show high capacity to copper. ► Phosphoric acid activated carbons are predominantly microporous. ► Maximum surface area and pore volume achieved at impregnation ratio 1.0. - Abstract: Active carbons have been prepared from corncob using chemical activation with phosphoric acid at 400 °C using varied ratio of impregnation (RI). Porous structure of carbons was characterized by nitrogen adsorption and scanning electron microscopy. Surface chemistry was studied by IR and potentiometric titration method. It has been shown that porosity development was peaked at RI = 1.0 (S BET = 2081 m 2 /g, V tot = 1.1 cm 3 /g), while maximum amount of acid surface groups was observed at RI = 1.25. Acid surface groups of phosphoric acid activated carbons from corncob includes phosphate and strongly acidic carboxylic (pK = 2.0–2.6), weakly acidic carboxylic (pK = 4.7–5.0), enol/lactone (pK = 6.7–7.4; 8.8–9.4) and phenol (pK = 10.1–10.7). Corncob derived carbons showed high adsorption capacity to copper, especially at low pH. Maximum adsorption of methylene blue and iodine was observed for carbon with most developed porosity (RI = 1.0).

  11. The pore wall structure of porous semi-crystalline anatase TiO{sub 2}

    Kim, Man-Ho; Doh, Jeong-Mann; Han, Seong Chul; Chae, Keun Hwa; Yu, Byung-Yong; Hong, Kyung Tae [Korea Institute of Science and Technology, Seoul (Korea, Republic of); Jackson, Andrew [NIST National Institute of Standards and Technology, Gaithersburg, MD (United States). Center for Neutron Research; Maryland Univ., College Park, MD (United States). Dept. of Materials Science and Engineering; Anovitz, Lawrence M. [Oak Ridge National Laboratory, Oak Ridge, TN (United States). Chemical Sciences Div.

    2011-12-15

    The structure of porous TiO{sub 2} prepared by electrochemical anodization in a fluoride-containing ethylene glycol electrolyte solution was quantitatively studied using small-angle neutron scattering (SANS) and ultra-small-angle neutron scattering (USANS). The cylindrical pores along the coaxial direction were somewhat irregular in shape, were widely distributed in diameter, and seemed to have a broadly pseudo-hexagonal arrangement. The scattering from the pore wall showed a negative deviation from Porod scattering, indicating that the interface between TiO2 and the pore was not sharp. A density gradient of around 40-60 A at the pore wall (i.e. the interface between the pore and the TiO{sub 2} matrix) was estimated using both constant and semi-sigmoidal interface models. This gradient may be due to the presence of fluorine and carbon partially absorbed by the pore wall from the fluoride-containing electrolyte or to sorbed water molecules on the wall. The neutron contrast-matching point between the TiO{sub 2} matrix and the pores filled with liquid H{sub 2}O/D{sub 2}O mixtures was 51/49%(v/v) H{sub 2}O/D{sub 2}O, yielding an estimated mass density of 3.32 g cm{sup -3}. The specific surface area of the sample derived from the (U)SANS data was around 939-1003 m{sup 2} cm{sup -3} (283-302 m{sup 2} g{sup -1}). (orig.)

  12. Porous structure and surface chemistry of phosphoric acid activated carbon from corncob

    Sych, N.V.; Trofymenko, S.I.; Poddubnaya, O.I.; Tsyba, M.M. [Institute for Sorption and Endoecology Problems, National Academy of Sciences of Ukraine, 13 General Naumov St., 03164 Kyiv (Ukraine); Sapsay, V.I.; Klymchuk, D.O. [M.G. Kholodny Institute of Botany, National Academy of Sciences of Ukraine, 2 Tereshchenkivska St., 01601 Kyiv (Ukraine); Puziy, A.M., E-mail: alexander.puziy@ispe.kiev.ua [Institute for Sorption and Endoecology Problems, National Academy of Sciences of Ukraine, 13 General Naumov St., 03164 Kyiv (Ukraine)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer Phosphoric acid activation results in formation of carbons with acidic surface groups. Black-Right-Pointing-Pointer Maximum amount of surface groups is introduced at impregnation ratio 1.25. Black-Right-Pointing-Pointer Phosphoric acid activated carbons show high capacity to copper. Black-Right-Pointing-Pointer Phosphoric acid activated carbons are predominantly microporous. Black-Right-Pointing-Pointer Maximum surface area and pore volume achieved at impregnation ratio 1.0. - Abstract: Active carbons have been prepared from corncob using chemical activation with phosphoric acid at 400 Degree-Sign C using varied ratio of impregnation (RI). Porous structure of carbons was characterized by nitrogen adsorption and scanning electron microscopy. Surface chemistry was studied by IR and potentiometric titration method. It has been shown that porosity development was peaked at RI = 1.0 (S{sub BET} = 2081 m{sup 2}/g, V{sub tot} = 1.1 cm{sup 3}/g), while maximum amount of acid surface groups was observed at RI = 1.25. Acid surface groups of phosphoric acid activated carbons from corncob includes phosphate and strongly acidic carboxylic (pK = 2.0-2.6), weakly acidic carboxylic (pK = 4.7-5.0), enol/lactone (pK = 6.7-7.4; 8.8-9.4) and phenol (pK = 10.1-10.7). Corncob derived carbons showed high adsorption capacity to copper, especially at low pH. Maximum adsorption of methylene blue and iodine was observed for carbon with most developed porosity (RI = 1.0).

  13. Hybrid Method Simulation of Slender Marine Structures

    Christiansen, Niels Hørbye

    This present thesis consists of an extended summary and five appended papers concerning various aspects of the implementation of a hybrid method which combines classical simulation methods and artificial neural networks. The thesis covers three main topics. Common for all these topics...... only recognize patterns similar to those comprised in the data used to train the network. Fatigue life evaluation of marine structures often considers simulations of more than a hundred different sea states. Hence, in order for this method to be useful, the training data must be arranged so...... that a single neural network can cover all relevant sea states. The applicability and performance of the present hybrid method is demonstrated on a numerical model of a mooring line attached to a floating offshore platform. The second part of the thesis demonstrates how sequential neural networks can be used...

  14. Finite element and network electrical simulation of rotating magnetofluid flow in nonlinear porous media with inclined magnetic field and hall currents

    Bég Anwar O.

    2014-01-01

    Full Text Available A mathematical model is presented for viscous hydromagnetic flow through a hybrid non-Darcy porous media rotating generator. The system is simulated as steady, incompressible flow through a nonlinear porous regime intercalated between parallel plates of the generator in a rotating frame of reference in the presence of a strong, inclined magnetic field A pressure gradient term is included which is a function of the longitudinal coordinate. The general equations for rotating viscous magnetohydrodynamic flow are presented and neglecting convective acceleration effects, the two-dimensional viscous flow equations are derived incorporating current density components, porous media drag effects, Lorentz drag force components and Hall current effects. Using an appropriate group of dimensionless variables, the momentum equations for primary and secondary flow are rendered nondimensional and shown to be controlled by six physical parameters-Hartmann number (Ha, Hall current parameter (Nh, Darcy number (Da, Forchheimer number (Fs, Ekman number (Ek and dimensionless pressure gradient parameter (Np, in addition to one geometric parameter-the orientation of the applied magnetic field (θ . Several special cases are extracted from the general model, including the non-porous case studied earlier by Ghosh and Pop (2006. A numerical solution is presented to the nonlinear coupled ordinary differential equations using both the Network Simulation Method and Finite Element Method, achieving excellent agreement. Additionally very good agreement is also obtained with the earlier analytical solutions of Ghosh and Pop (2006. for selected Ha, Ek and Nh values. We examine in detail the effects of magnetic field, rotation, Hall current, bulk porous matrix drag, second order porous impedance, pressure gradient and magnetic field inclination on primary and secondary velocity distributions and also frictional shear stresses at the plates. Primary velocity is seen to decrease

  15. Hierarchically porous Ni monolith@branch-structured NiCo2O4 for high energy density supercapacitors

    Mengjie Xu

    2016-06-01

    Full Text Available A variety of NiCo2O4 nanostrucutures ranging from nanowire to nanoplate and branched structures were successfully prepared via a simple hydrothermal process. The experimental results show that NiCo2O4 with branched structures possesses the best overall electrochemical performance. The improvement of energy density was explored in terms of hierarchically three-dimensional (3D metal substrates and a high specific area capacitance, and area energy density is obtained with hierarchically porous Ni monolith synthesized through a controlled combustion procedure.

  16. Parametric study of boiling heat transfer in porous media

    Shi, B.; Jones, B.G.; Pan, C.

    1996-01-01

    Detailed numerical modeling and parametric variation studies were conducted on boiling heat transfer processes in porous deposits with emphasis on applications associated with light water nuclear power reactor systems. The processes of boiling heat transfer in the porous corrosion deposits typically involve phase changes in finite volumetric regions in the porous media. The study examined such processes in two porous media configurations, without chimneys (homogeneous porous structures) and with chimneys (heterogeneous porous structures). A 1-D model and a 2-D model were developed to simulate two-phase flows with phase changes, without dry-out, inside the porous media for both structural configurations. For closure of the governing equations, an empirical correlation of the evaporation rate for phase changes inside the porous media was introduced. In addition, numerical algorithms were developed to solve the coupled nonlinear equations of mass, momentum, energy, capillary pressure, and evaporation rate. The distributions of temperature, thermodynamic saturation, liquid pressure, vapor pressure, liquid velocity, and vapor velocity were predicted. Furthermore, the effects of heat flux, system pressure, porosity, particle diameter, chimney population density, chimney radius, and crud thickness on the all superheat, critical heat flux, and minimum saturation were examined. The predictions were found to be in good agreement with the available experimental results

  17. Fluid Flow through Porous Sandstone with Overprinting and Intersecting Geological Structures of Various Types

    Zhou, X.; Karimi-Fard, M.; Durlofsky, L.; Aydin, A.

    2010-12-01

    Impact of a wide variety of structural heterogeneities on fluid flow in an aeolian sandstone in the Valley of Fire State Park (NV), such as (1) dilatant fractures (joints), (2) shear fractures (faults), and (3) contraction/compaction structures (compaction bands), are considered. Each type of these structures has its own geometry, spacing, distribution, connectivity, and hydraulic properties, which either enhance or impede subsurface fluid flow. Permeability of these structures may, on average, be a few orders of magnitude higher or lower than those of the corresponding matrix rocks. In recent years, the influence of a single type of these heterogeneities on fluid flow has been studied individually, such as joints, compaction bands or faults. However, as different types of geological structures are commonly present together in the same rock volume, their combined effect requires a more detailed assessment. In this study, fluid flow simulations are performed using a special finite-volume discretization technique that was developed by Karimi-Fard et al. (2004; 2006). Using this approach, thin features such as fractures and compaction bands are represented as linear elements in unstructured 2D models and as planar elements in 3D models, which significantly reduces the total number of cells and simplifies grid generation. The cell geometric information and the cell-to-cell transmissibility obtained from this discretization technique are input to Stanford’s General Purpose Research Simulator (GPRS) for fluid flow simulation. To account for the effects of the various geological structures on subsurface flow, we perform permeability upscaling over regions corresponding to large-scale simulation grid blocks in order to obtain equivalent permeability components in two principal directions. We will focus on the following problems: (1) compaction bands of multisets; (2) compartmentalization of compaction bands of high-angle, low-angle and horizontal; (3) joints overprinting

  18. Numerical Simulations of Urea Hydrolysis and Calcite Precipitation in Porous Media Using STOMP

    Guo, Luanjing; Huang, Hai; Hu, Bill X.

    2010-01-01

    Subsurface radionuclide and trace metal contaminants throughout the U.S. Department of Energy (DOE) complex pose one of DOE's greatest challenges for long-term stewardship. One promising in situ immobilization approach of these contaminants is engineered mineral (co)precipitation of calcite driven by urea hydrolysis that is catalyzed by enzyme urease. The tight nonlinear coupling among flow, transport, reaction and reaction-induced property changes of media of this approach was studied by reactive transport simulations with systematically increasing level of complexities of reaction network and physical/chemical heterogeneities using a numerical simulator named STOMP. Sensitivity studies on the reaction rates of both urea hydrolysis and calcite precipitation are performed via controlling urease enzyme concentration and precipitation rate constant according to the rate models employed. We have found that the rate of ureolysis is a dominating factor in the amount of precipitated mineral; however, the spatial distribution of the precipitates depends on both rates of ureolysis and calcite precipitation. A maximum 5% reduction in the porosity was observed within the simulation time period of 6 pore volumes in our 1-dimensional (1D) column simulations. When a low permeability inclusion is considered in the 2D simulations, the altered flow fields redistribute mineral forming constituents, leading to a distorted precipitation reaction front. The simulations also indicate that mineral precipitation occurs along the boundary of the low permeability zone, which implies that contaminants in the low permeability zone could be encapsulated and isolated from the flow paths.

  19. Influence of Boundary Conditions on the Simulation of a Diamond-Type Lattice Structure: A Preliminary Study

    Patrick Terriault

    2017-01-01

    Full Text Available Emergent additive manufacturing processes allow the use of metallic porous structures in various industrial applications. Because these structures comprise a large number of ordered unit cells, their design using conventional modeling approaches, such as finite elements, becomes a real challenge. A homogenization technique, in which the lattice structure is simulated as a fully dense volume having equivalent material properties, can then be employed. To determine these equivalent material properties, numerical simulations can be performed on a single unit cell of the lattice structure. However, a critical aspect to consider is the boundary conditions applied to the external faces of the unit cell. In the literature, different types of boundary conditions are used, but a comparative study is definitely lacking. In this publication, a diamond-type unit cell is studied in compression by applying different boundary conditions. If the porous structure’s boundaries are free to deform, then the periodic boundary condition is found to be the most representative, but constraint equations must be introduced in the model. If, instead, the porous structure is inserted in a rigid enclosure, it is then better to use frictionless boundary conditions. These preliminary results remain to be validated for other types of unit cells loaded beyond the yield limit of the material.

  20. Numerical and experimental approaches to simulate soil clogging in porous media

    Kanarska, Yuliya; LLNL Team

    2012-11-01

    Failure of a dam by erosion ranks among the most serious accidents in civil engineering. The best way to prevent internal erosion is using adequate granular filters in the transition areas where important hydraulic gradients can appear. In case of cracking and erosion, if the filter is capable of retaining the eroded particles, the crack will seal and the dam safety will be ensured. A finite element numerical solution of the Navier-Stokes equations for fluid flow together with Lagrange multiplier technique for solid particles was applied to the simulation of soil filtration. The numerical approach was validated through comparison of numerical simulations with the experimental results of base soil particle clogging in the filter layers performed at ERDC. The numerical simulation correctly predicted flow and pressure decay due to particle clogging. The base soil particle distribution was almost identical to those measured in the laboratory experiment. To get more precise understanding of the soil transport in granular filters we investigated sensitivity of particle clogging mechanisms to various aspects such as particle size ration, the amplitude of hydraulic gradient, particle concentration and contact properties. By averaging the results derived from the grain-scale simulations, we investigated how those factors affect the semi-empirical multiphase model parameters in the large-scale simulation tool. The Department of Homeland Security Science and Technology Directorate provided funding for this research.

  1. Functional porous structures based on the pyrolysis of cured templates of block copolymer and phenolic resin

    Kosonen, H; Valkama, S; Nykanen, A; Toivanen, M; ten Brinke, G; Ruokolainen, J; Ikkala, O; Nykänen, Antti

    2006-01-01

    Porous materials with controlled pore size and large surface area (see Figure) have been prepared by crosslinking phenolic resin in the presence of a self-assembled block-copolymer template, followed by pyrolysis. Many phenolic hydroxyl groups remain at the matrix and pore walls, which can be used

  2. Novel approach to make concrete structures self-healing using porous network concrete

    Sangadji, S.; Schlangen, E.

    2012-01-01

    Many researchers proposed self healing mechanism using hollow fibres and or microcapsule containing a modifying agent dispersed in the concrete to prolong its service life and make it more durable. A novel self healing concrete concept is proposed in this paper by using porous network concrete

  3. Porous silicon in solar cell structures : a review of achievements and modern directions of further use

    Yerokhov, VY; Melnyk, [No Value

    1999-01-01

    Porous silicon, which is being obtained by electrochemical etching of silicon wafers in electrolytes on the base of hydrofluoric acid, recently attracted the attention of specialists in photovoltaics even more due to a number of its unique properties. However, at present, acceptable results are

  4. Simulation of plasma double-layer structures

    Borovsky, J.E.; Joyce, G.

    1982-01-01

    Electrostatic plasma double layers are numerically simulated by means of a magnetized 2 1/2-dimensional particle-in-cell method. The investigation of planar double layers indicates that these one-dimensional potential structures are susceptible to periodic disruption by instabilities in the low-potential plasmas. Only a slight increase in the double-layer thickness with an increase in its obliqueness to the magnetic field is observed. Weak magnetization results in the double-layer electric-field alignment of accelerated particles and strong magnetization results in their magnetic-field alignment. The numerial simulations of spatially periodic two-dimensional double layers also exhibit cyclical instability. A morphological invariance in two-dimensional double layers with respect to the degree of magnetization implies that the potential structures scale with Debye lengths rather than with gyroradii. Electron-beam excited electrostatic electron-cyclotron waves and (ion-beam driven) solitary waves are present in the plasmas adjacent to the double layers

  5. Structural characterization of titanium porous foams by gamma rays transmission and X ray microtomography

    Moreira, Anderson C.; Appoloni, Carlos R.

    2007-01-01

    The advance in porous media studies and the consequent progresses of their applications in medicine, petroleum industry, metallurgy and others, rises the prominence of the area among scientists. This fact increases the research on different characterization techniques of porous materials. In this work three Titanium foams were analyzed by gamma rays transmission (GRT), and one of these was also analyzed by X-ray microtomography (μ-CT). The GRT experimental set consisted by a 2'' x 2''. NaI(Tl) detector, a 241-Am radioactive source (59,53 keV, 100 mCi) and a standard gamma spectrometry electronic chain. In the μ-CT technique it was used a SKYSCAN 1172 scanner consisting of an X-ray tube (20-100 kV and 0-250 μA), a CCD detector and a proper mechanic system for sample and detector movement. The system may reach ∼0.8 μm image resolution. Images of 815 slices of the sample were generated and analyzed by the IMAGO software. It permitted the determination of geometrical parameters like pore size distribution, total porosity and autocorrelation function. The analysis of data, obtained by both techniques, showed that porous media are homogeneous in the reached resolutions (1 mm to GRT and 5 μm to μ-CT). The average total porosities determined by GRT for each sample were φ 1 =53,47±0,36%, φ 2 =55,95±0,23% and φ 3 =56,80±0,56%, and the determined by μ-CT was φ 1 =53,47±0,36%. The porosity data of the Ti-1 sample shows good agreement from both techniques. The pore size distribution, from μ-CT technique of the Ti-1 sample, showed that 57% of porous phase have porous with radius in 20 to 80 μm range. (author)

  6. Numerical simulation of water flow and Nitrate transport through variably saturated porous media in laboratory condition using HYDRUS 2D

    Jahangeer, F.; Gupta, P. K.; Yadav, B. K.

    2017-12-01

    Due to the reducing availability of water resources and the growing competition for water between residential, industrial, and agricultural users, increasing irrigation efficiency, by several methods like drip irrigation, is a demanding concern for agricultural experts. The understanding of the water and contaminants flow through the subsurface is needed for the sustainable irrigation water management, pollution assessment, polluted site remediation and groundwater recharge. In this study, the Windows-based computer software package HYDRUS-2D, which numerically simulates water and solute movement in two-dimensional, variably-saturated porous media, was used to evaluate the distribution of water and Nitrate in the sand tank. The laboratory and simulation experiments were conducted to evaluate the role of drainage, recharge flux, and infiltration on subsurface flow condition and subsequently, on nitrate movement in the subsurface. The water flow in the unsaturated zone model by Richards' equation, which was highly nonlinear and its parameters were largely dependent on the moisture content and pressure head of the partially saturated zone. Following different cases to be considered to evaluate- a) applying drainage and recharge flux to study domains, b) transient infiltration in a vertical soil column and c) subsequently, nitrate transport in 2D sand tank setup. A single porosity model was used for the simulation of water and nitrate flow in the study domain. The results indicate the transient water table position decreases as the time increase significantly by applying drainage flux at the bottom. Similarly, the water table positions in study domains increasing in the domain by applying recharge flux. Likewise, the water flow profile shows the decreasing water table elevation with increasing water content in the vertical domain. Moreover, the nitrate movement was dominated by advective flux and highly affected by the recharge flux in the vertical direction. The

  7. Numerical Simulation of Natural Convection in Heterogeneous Porous media for CO2 Geological Storage

    Ranganathan, P.; Farajzadeh, R.; Bruining, J.; Zitha, P.L.J.

    2012-01-01

    We report a modeling and numerical simulation study of density-driven natural convection during geological CO2 storage in heterogeneous formations. We consider an aquifer or depleted oilfield overlain by gaseous CO2, where the water density increases due to CO2 dissolution. The heterogeneity of the

  8. Upscaled Lattice Boltzmann Method for Simulations of Flows in Heterogeneous Porous Media

    Li, Jun; Brown, Donald

    2017-01-01

    upscaled LBM uses coarser grids to represent the average effects of the fine-grid simulations. In the upscaled LBM, each coarse grid represents a subdomain of the fine-grid discretization and the effective permeability with the reduced-order models

  9. Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation

    Saad, Ahmed Mohamed

    2016-01-01

    potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical

  10. Testing of porous materials using ion beam techniques

    Szilagyi, E.; Asrama, M.; Paszti, F.; Battistig, G.; Hajnal, Z.

    1999-01-01

    Porous materials were examined by backscattering spectrometry and oxygen resonance measurements. The material was a porous silicon (PS) sample. The BS data were evaluated by simulation, using the RBX program, and a comparison was made with measured data. The PS sample was also investigated using the 16 O(α,α) 16 O reaction, and the resonance spectra were evaluated. The data yielded useful information on porosity, mean pore diameter, mean pore distance, and structure ordering. (R.P.)

  11. Organosilane with gemini-type structure as the mesoporogen for synthesis of hierarchical porous ZSM-5 zeolite

    Zhu, Haibo; Abou-Hamad, Edy; Chen, Yin; Saih, Youssef; Liu, Weibing; Basset, Jean-Marie; Samal, Akshaya Kumar

    2016-01-01

    A new kind of organosilane (1,6-bis (diethyl(3-trimethoxysilylpropyl)ammonium) hexane bromide) with a gemini-type structure was prepared and used as a mesoporogen for the synthesis of hierarchical porous ZSM-5 zeolite. There are two quaternary ammonium centers along with double hydrolysable -RSi(OMe)3 fragments in the organosilane, which results in a strong interaction between this mesoporogen and silica-alumina gel. The organosilane can be easily incorporated into ZSM-5 zeolite structure during the crystallization process, and it was finally removed by calcination leading to secondary pores in ZSM-5. The synthesized ZSM-5 has been systematically studied by XRD, nitrogen adsorption, SEM, TEM, TG and solid-state one-dimensional (1D) and two-dimensional (2D) NMR, which reveals information on its detailed structure. It has a hierarchical porosity system, which combines the intrinsic micropores coming from the crystalline structure and irregular mesopores created by the organosilane template. Moreover, the mesoposity including pore size and volume within ZSM-5 can be systematically tuned by changing the organosilane/TEOS ratios, which confirms this organosilane has high flexibility of using as template for the synthesis of hierarchical porous zeolite.

  12. Organosilane with gemini-type structure as the mesoporogen for synthesis of hierarchical porous ZSM-5 zeolite

    Zhu, Haibo

    2016-02-08

    A new kind of organosilane (1,6-bis (diethyl(3-trimethoxysilylpropyl)ammonium) hexane bromide) with a gemini-type structure was prepared and used as a mesoporogen for the synthesis of hierarchical porous ZSM-5 zeolite. There are two quaternary ammonium centers along with double hydrolysable -RSi(OMe)3 fragments in the organosilane, which results in a strong interaction between this mesoporogen and silica-alumina gel. The organosilane can be easily incorporated into ZSM-5 zeolite structure during the crystallization process, and it was finally removed by calcination leading to secondary pores in ZSM-5. The synthesized ZSM-5 has been systematically studied by XRD, nitrogen adsorption, SEM, TEM, TG and solid-state one-dimensional (1D) and two-dimensional (2D) NMR, which reveals information on its detailed structure. It has a hierarchical porosity system, which combines the intrinsic micropores coming from the crystalline structure and irregular mesopores created by the organosilane template. Moreover, the mesoposity including pore size and volume within ZSM-5 can be systematically tuned by changing the organosilane/TEOS ratios, which confirms this organosilane has high flexibility of using as template for the synthesis of hierarchical porous zeolite.

  13. Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets and their gas sensing properties to volatile organic compounds (VOCs)

    Meng, Fanli, E-mail: flmeng@iim.ac.cn [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Department of Materials Science and Engineering, University of California, Los Angeles, CA 90095 (United States); Hou, Nannan [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Department of Chemistry, University of Science and Technology of China, Hefei 230026 (China); Ge, Sheng [Department of Mechanical and Automotive Engineering, Anhui Polytechnic University, Wuhu 241000 (China); Sun, Bai [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Jin, Zhen, E-mail: zjin@iim.ac.cn [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Shen, Wei; Kong, Lingtao; Guo, Zheng [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Sun, Yufeng, E-mail: sunyufeng118@126.com [Department of Mechanical and Automotive Engineering, Anhui Polytechnic University, Wuhu 241000 (China); Wu, Hao; Wang, Chen [Department of Materials Science and Engineering, University of California, Los Angeles, CA 90095 (United States); Li, Minqiang [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China)

    2015-03-25

    Highlights: • Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets were synthesized. • The flower-like hierarchical structured ZnO exhibited higher response and shorter response and recovery times. • The sensing mechanism of the flower-like hierarchical has been systematically analyzed. - Abstract: Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets (FHPSCZNs) were synthesized by a one-pot wet-chemical method followed by an annealing treatment, which combined the advantages between flower-like hierarchical structure and porous single-crystalline structure. XRD, SEM and HRTEM were used to characterize the synthesized FHPSCZN samples. The sensing properties of the FHPSCZN sensor were also investigated by comparing with ZnO powder sensor, which exhibited higher response and shorter response and recovery times. The sensing mechanism of the FHPSCZN sensor has been further analyzed from the aspects of electronic transport and gas diffusion.

  14. Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets and their gas sensing properties to volatile organic compounds (VOCs)

    Meng, Fanli; Hou, Nannan; Ge, Sheng; Sun, Bai; Jin, Zhen; Shen, Wei; Kong, Lingtao; Guo, Zheng; Sun, Yufeng; Wu, Hao; Wang, Chen; Li, Minqiang

    2015-01-01

    Highlights: • Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets were synthesized. • The flower-like hierarchical structured ZnO exhibited higher response and shorter response and recovery times. • The sensing mechanism of the flower-like hierarchical has been systematically analyzed. - Abstract: Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets (FHPSCZNs) were synthesized by a one-pot wet-chemical method followed by an annealing treatment, which combined the advantages between flower-like hierarchical structure and porous single-crystalline structure. XRD, SEM and HRTEM were used to characterize the synthesized FHPSCZN samples. The sensing properties of the FHPSCZN sensor were also investigated by comparing with ZnO powder sensor, which exhibited higher response and shorter response and recovery times. The sensing mechanism of the FHPSCZN sensor has been further analyzed from the aspects of electronic transport and gas diffusion

  15. Cell-element simulations to optimize the performance of osmotic processes in porous membranes

    Calo, Victor M.

    2018-05-11

    We present a new module of the software tool PoreChem for 3D simulations of osmotic processes at the cell-element scale. We consider the most general fully coupled model (see e.g., Sagiv and Semiat (2011)) in 3D to evaluate the impact on the membrane performance of both internal and external concentration polarization, which occurs in a cell-element for different operational conditions. The model consists of the Navier–Stokes–Brinkman system to describe the free fluid flow and the flow within the membrane with selective and support layers, a convection–diffusion equation to describe the solute transport, and nonlinear interface conditions to fully couple these equations. First, we briefly describe the mathematical model and discuss the discretization of the continuous model, the iterative solution, and the software implementation. Then, we present the analytical and numerical validation of the simulation tool. Next, we perform and discuss numerical simulations for a case study. The case study concerns the design of a cell element for the forward osmosis experiments. Using the developed software tool we qualitatively and quantitatively investigate the performance of a cell element that we designed for laboratory experiments of forward osmosis, and discuss the differences between the numerical solutions obtained with the full 3D and reduced 2D models. Finally, we demonstrate how the software enables investigating membrane heterogeneities.

  16. Thermo-hydro-mechanical simulation of a 3D fractured porous rock: preliminary study of coupled matrix-fracture hydraulics

    Canamon, I.; Javier Elorza, F. [Universidad Politecnica de Madrid, Dept. de Matematica Aplicada y Metodos Informaticas, ETSI Minas (UPM) (Spain); Ababou, R. [Institut de Mecanique des Fluides de Toulouse (IMFT), 31 (France)

    2007-07-01

    We present a problem involving the modeling of coupled flow and elastic strain in a 3D fractured porous rock, which requires prior homogenization (up-scaling) of the fractured medium into an equivalent Darcian anisotropic continuum. The governing equations form a system of PDE's (Partial Differential Equations) and, depending on the case being considered, this system may involve two different types of 'couplings' (in a real system, both couplings (1) and (2) generally take place): 1) Hydraulic coupling in a single (no exchange) or in a dual matrix-fracture continuum (exchange); 2) Thermo-Hydro-Mechanical interactions between fluid flow, pressure, elastic stress, strain, and temperature. We present here a preliminary model and simulation results with FEMLAB{sup R}, for the hydraulic problem with anisotropic heterogeneous coefficients. The model is based on data collected at an instrumented granitic site (FEBEX project) for studying a hypothetical nuclear waste repository at the Grimsel Test Site in the Swiss Alps. (authors)

  17. Porous media microstructure reconstruction using pixel-based and object-based simulated annealing: comparison with other reconstruction methods

    Diogenes, Alysson N.; Santos, Luis O.E. dos; Fernandes, Celso P. [Universidade Federal de Santa Catarina (UFSC), Florianopolis, SC (Brazil); Appoloni, Carlos R. [Universidade Estadual de Londrina (UEL), PR (Brazil)

    2008-07-01

    The reservoir rocks physical properties are usually obtained in laboratory, through standard experiments. These experiments are often very expensive and time-consuming. Hence, the digital image analysis techniques are a very fast and low cost methodology for physical properties prediction, knowing only geometrical parameters measured from the rock microstructure thin sections. This research analyzes two methods for porous media reconstruction using the relaxation method simulated annealing. Using geometrical parameters measured from rock thin sections, it is possible to construct a three-dimensional (3D) model of the microstructure. We assume statistical homogeneity and isotropy and the 3D model maintains porosity spatial correlation, chord size distribution and d 3-4 distance transform distribution for a pixel-based reconstruction and spatial correlation for an object-based reconstruction. The 2D and 3D preliminary results are compared with microstructures reconstructed by truncated Gaussian methods. As this research is in its beginning, only the 2D results will be presented. (author)

  18. Ectopic osteogenesis and angiogenesis regulated by porous architecture of hydroxyapatite scaffolds with similar interconnecting structure in vivo

    Li, Jinyu; Zhi, Wei; Xu, Taotao; Shi, Feng; Duan, Ke; Wang, Jianxin; Mu, Yandong; Weng, Jie

    2016-01-01

    The macro-pore sizes of porous scaffold play a key role for regulating ectopic osteogenesis and angiogenesis but many researches ignored the influence of interconnection between macro-pores with different sizes. In order to accurately reveal the relationship between ectopic osteogenesis and macro-pore sizes in dorsal muscle and abdominal cavities of dogs, hydroxyapatite (HA) scaffolds with three different macro-pore sizes of 500–650, 750–900 and 1100–1250 µm were prepared via sugar spheres-leaching process, which also had similar interconnecting structure determined by keeping the d/s ratio of interconnecting window diameter to macro-pore size constant. The permeability test showed that the seepage flow of fluid through the porous scaffolds increased with the increase of macro-pore sizes. The cell growth in three scaffolds was not affected by the macro-pore sizes. The in vivo ectopic implantation results indicated that the macro-pore sizes of HA scaffolds with the similar interconnecting structure have impact not only the speed of osteogenesis and angiogenesis but also the space distribution of newly formed bone. The scaffold with macro-pore sizes of 750–900 µm exhibited much faster angiogenesis and osteogenesis, and much more uniformly distribution of new bone than those with other macro-pore sizes. This work illustrates the importance of a suitable macro-pore sizes in HA scaffolds with the similar interconnecting structure which provides the environment for ectopic osteogenesis and angiogenesis. PMID:27699059

  19. Capillary condensation of adsorbates in porous materials.

    Horikawa, Toshihide; Do, D D; Nicholson, D

    2011-11-14

    Hysteresis in capillary condensation is important for the fundamental study and application of porous materials, and yet experiments on porous materials are sometimes difficult to interpret because of the many interactions and complex solid structures involved in the condensation and evaporation processes. Here we make an overview of the significant progress in understanding capillary condensation and hysteresis phenomena in mesopores that have followed from experiment and simulation applied to highly ordered mesoporous materials such as MCM-41 and SBA-15 over the last few decades. Copyright © 2011 Elsevier B.V. All rights reserved.

  20. In situ measurement and simulation of nano-magnetite mobility in porous media subject to transient salinity.

    Becker, Matthew D; Wang, Yonggang; L Paulsen, Jeffrey; Song, Yi-Qiao; Abriola, Linda M; Pennell, Kurt D

    2015-01-21

    Nanotechnologies have been proposed for a variety of environmental applications, including subsurface characterization, enhanced oil recovery, and in situ contaminant remediation. For such applications, quantitative predictive models will be of great utility for system design and implementation. Electrolyte chemistry, which can vary substantially within subsurface pore waters, has been shown to strongly influence nanoparticle aggregation and deposition in porous media. Thus, it is essential that mathematical models be capable of tracking changes in electrolyte chemistry and predicting its influence on nanoparticle mobility. In this work, a modified version of a multi-dimensional multispecies transport simulator (SEAWAT) was employed to model nanoparticle transport under transient electrolyte conditions. The modeling effort was supported by experimental measurements of paramagnetic magnetite (Fe3O4) nanoparticle, coated with polyacrylamide-methylpropane sulfonic acid - lauryl acrylate (nMag-PAMPS), mobility in columns packed with 40-50 mesh Ottawa sand. Column effluent analyses and magnetic resonance imaging (MRI) were used to quantify nanoparticle breakthrough and in situ aqueous phase concentrations, respectively. Experimental observations revealed that introduction of de-ionized water into the brine saturated column (80 g L(-1) NaCl + 20 g L(-1) CaCl2) promoted release and remobilization of deposited nanoparticles along a diagonal front, coincident with the variable density flow field. This behavior was accurately captured by the simulation results, which indicated that a two-site deposition-release model provided the best fit to experimental observations, suggesting that heterogeneous nanoparticle-surface interactions governed nanoparticle attachment. These findings illustrate the importance of accounting for both physical and chemical processes associated with changes in electrolyte chemistry when predicting nanoparticle transport behavior in subsurface

  1. Formulation of porous poly(lactic-co-glycolic acid) microparticles by electrospray deposition method for controlled drug release

    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.

  2. Formulation of porous poly(lactic-co-glycolic acid) microparticles by electrospray deposition method for controlled drug release

    Hao, Shilei; Wang, Yazhou; Wang, Bochu; Deng, Jia; Zhu, Liancai; Cao, Yang

    2014-01-01

    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

  3. Fabrication, Structural Characterization and Uniaxial Tensile Properties of Novel Sintered Multi-Layer Wire Mesh Porous Plates

    Liuyang Duan

    2018-01-01

    Full Text Available There is an increasing interest in developing porous metals or metallic foams for functional and structural applications. The study of the physical and mechanical properties of porous metals is very important and helpful for their application. In this paper, a novel sintered multilayer wire mesh porous plate material (WMPPs with a thickness of 0.5 mm–3 mm and a porosity of 10–35% was prepared by winding, pressing, rolling, and subsequently vacuum sintering them. The pore size and total size distribution in the as-prepared samples were investigated using the bubble point method. The uniaxial tensile behavior of the WMPPs was investigated in terms of the sintering temperature, porosity, wire diameter, and manufacturing technology. The deformation process and the failure mechanism under the tensile press was also discussed based on the appearance of the fractures (SEM figures. The results indicated that the pore size and total size distribution were closely related to the raw material used and the sintering temperature. For the WMPPs prepared by the wire mesh, the pore structures were inerratic and the vast majority of pore size was less than 10 μm. On the other hand, for the WMPPs that were prepared by wire mesh and powder, the pore structures were irregular and the pore size ranged from 0 μm–50 μm. The experimental data showed that the tensile strength of WMPPs is much higher than any other porous metals or metallic foams. Higher sintering temperatures led to coarser joints between wires and resulted in higher tensile strength. The sintering temperature decreased from 1330 °C to 1130 °C and the tensile strength decreased from 296 MPa to 164 MPa. Lower porosity means that there are more metallurgical joints and metallic frameworks resisting deformation per unit volume. Therefore, lower porosities exhibit higher tensile strength. An increase of porosity from 17.14% to 32.5% led to the decrease of the tensile strength by 90 MPa. The

  4. Hierarchical micro-lamella-structured 3D porous copper current collector coated with tin for advanced lithium-ion batteries

    Park, Hyeji [School of Materials Science and Engineering, Kookmin University, Seoul 136-702 (Korea, Republic of); Um, Ji Hyun [School of Chemical and Biological Engineering, Seoul National University, Seoul 151-742 (Korea, Republic of); Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul 151-742 (Korea, Republic of); Choi, Hyelim [School of Materials Science and Engineering, Kookmin University, Seoul 136-702 (Korea, Republic of); Yoon, Won-Sub [Department of Energy Science, Sungkyunkwan University, Suwon, 440-746 (Korea, Republic of); Sung, Yung-Eun [School of Chemical and Biological Engineering, Seoul National University, Seoul 151-742 (Korea, Republic of); Center for Nanoparticle Research, Institute for Basic Science (IBS), Seoul 151-742 (Korea, Republic of); Choe, Heeman, E-mail: heeman@kookmin.ac.kr [School of Materials Science and Engineering, Kookmin University, Seoul 136-702 (Korea, Republic of); Cellmotive Co. Ltd., #518, Engineering Building, Kookmin University, Seoul 136-702 (Korea, Republic of)

    2017-03-31

    Highlights: • Sn-Cu scaffold anode fabricated by freeze-casting and electroless plating. • Sn-Cu scaffold architecture shows superior capacity and cyclic stability at high current density. • Sn-Cu scaffold electrode is commercially promising. - Abstract: A Novel 3D porous Sn-Cu architecture is prepared as an anode material for use in an advanced lithium-ion battery. Micro-lamellar-structured 3D porous Cu foam, which is electroless-plated with Sn as an active material, is used as anode current collector. Compared to Sn-coated Cu foil, the 3D Sn-Cu foam exhibits superior Li-ion capacity and stable capacity retention, demonstrating the advantage of 3D porous architecture by preserving its structural integrity. In addition, the effect of heat-treatment after Sn plating is investigated. Sn/Sn{sub 6}Cu{sub 5} and SnO{sub 2}/Cu{sub 10}Sn{sub 3} were formed on and in the 3D Sn-Cu foam under the heat-treatment at 150 °C and 500 °C, respectively. The development of Cu{sub 10}Sn{sub 3} in the 3D Sn-Cu foam heat-treated at 500 °C can be a key factor for the enhanced cyclic stability because the Cu{sub 10}Sn{sub 3} inactively reacts with Li-ion and alleviates the volume expansion of SnO{sub 2} as an inactive matrix.

  5. Effect of UV irradiations on the structural and optical features of porous silicon: application in silicon solar cells

    Aouida, S.; Saadoun, M.; Boujmil, M.F.; Ben Rabha, M.; Bessaies, B.

    2004-01-01

    The aim of this paper is to investigate the structural and optical stability of porous silicon layers (PSLs) planned to be used in silicon solar cells technology. The PSLs were prepared by a HNO 3 /HF vapor etching (VE) based method. Fourier transform infrared (FT-IR) spectroscopy shows that fresh VE-based PSLs contain N-H and Si-F bonds related to a ammonium hexafluorosilicate (NH 4 ) 2 SiF 6 minor phase, and conventional Si-H x and Si-O x bonds. Free air exposures of PSLs without and with UV irradiation lead to oxidation or photo-oxidation of the porous layer, respectively. FT-IR characterisation of the PSLs shows that UV irradiations modify the transformation kinetics replacing instable Si-H x by Si-O x or Si-O-H bonds. When fresh PSLs undergo free air oxidation within 7 days, the surface reflectivity decreases from 10 to about 8%, while it drops to about 4% when a 10 min free air UV irradiation is applied. Long periods of free air oxidation do not ensure the reflectivity to be stable, whereas it becomes stable after only 10 min of UV irradiation. This behaviour was explained taking into account the kinetic differences between oxidation with and without UV irradiation. Fresh VE-based PSLs were found to improve efficiently the photovoltaic (PV) characteristics of crystalline silicon solar cells. The passivating action of VE-based PSLs was discussed. An improvement of the PV performances was observed solely for stable oxidized porous silicon (PS) structures obtained from UV irradiations

  6. Gas Bubble Migration and Trapping in Porous Media: Pore-Scale Simulation

    Mahabadi, Nariman; Zheng, Xianglei; Yun, Tae Sup; van Paassen, Leon; Jang, Jaewon

    2018-02-01

    Gas bubbles can be naturally generated or intentionally introduced in sediments. Gas bubble migration and trapping affect the rate of gas emission into the atmosphere or modify the sediment properties such as hydraulic and mechanical properties. In this study, the migration and trapping of gas bubbles are simulated using the pore-network model extracted from the 3D X-ray image of in situ sediment. Two types of bubble size distribution (mono-sized and distributed-sized cases) are used in the simulation. The spatial and statistical bubble size distribution, residual gas saturation, and hydraulic conductivity reduction due to the bubble trapping are investigated. The results show that the bubble size distribution becomes wider during the gas bubble migration due to bubble coalescence for both mono-sized and distributed-sized cases. And the trapped bubble fraction and the residual gas saturation increase as the bubble size increases. The hydraulic conductivity is reduced as a result of the gas bubble trapping. The reduction in hydraulic conductivity is apparently observed as bubble size and the number of nucleation points increase.

  7. The USANS technique for the investigation of structure from hydrated gels to porous rock

    Crompton, Kylie; Forsythe, John; Bertram, Willem; Knott, R.B.; Barker, John

    2005-01-01

    Full text: The Ultra Small Angle Neutron Scattering (USANS) technique extends the range of the Small Angle Neutron Scattering (SANS) technique into the tens of micron size range. This is extremely useful for many systems particularly those where sample preparation for optical or electron microscopy can cause major changes to the microstructure under investigation. Two examples will be presented to highlight different aspects of the technique. Firstly, the structure was investigated of a full hydrated polymer scaffold for stem cells constructed from chitosan. Stem cells interact with the scaffold on the micron scale however information on the nanoscale (i e individual chitosan polymer chains) is also required in order the tailor the scaffold structure. The soft, hydrated gel is unsuitable for optical or electron microscopy. Secondly, the structure was investigated of natural oil-bearing and synthetic rock. The scattering data from different thickness of rock was analysed using a Fourier Transform method to remove multiple scattering effects and to simulate scattering from a thin rock. In this case bulk properties such as porosity are of interest. (authors)

  8. Photoconductivity of composite structures based on porous SnO2 sensitized with CdSe nanocrystals

    Drozdov, K. A.; Kochnev, V. I.; Dobrovolsky, A. A.; Vasiliev, R. B.; Babynina, A. V.; Rumyantseva, M. N.; Gaskov, A. M.; Ryabova, L. I.; Khokhlov, D. R.

    2013-01-01

    The introduction of CdSe nanocrystals (colloidal quantum dots) into a porous SnO 2 matrix brings about the appearance of photoconductivity in the structures. Sensitization is a consequence of charge exchange between the quantum dots and the matrix. Photoconductivity spectral measurements show that the nanocrystals embedded into the matrix are responsible for the optical activity of the structure. The photoconductivity of the structures sensitized with different-sized quantum dots is studied in the temperature range from 77 to 300 K. It is shown that the maximum photoconductivity is attained by introducing nanocrystals of the minimum size (2.7 nm). The mechanisms of charge-carrier transport in the matrix and the charge-exchange kinetics are discussed.

  9. Study on Topology Optimization Design, Manufacturability, and Performance Evaluation of Ti-6Al-4V Porous Structures Fabricated by Selective Laser Melting (SLM).

    Xu, Yangli; Zhang, Dongyun; Zhou, Yan; Wang, Weidong; Cao, Xuanyang

    2017-09-07

    The combination of topology optimization (TOP) and selective laser melting (SLM) provides the possibility of fabricating the complex, lightweight and high performance geometries overcoming the traditional manufacturing "bottleneck". This paper evaluates the biomechanical properties of porous structures with porosity from 40% to 80% and unit cell size from 2 to 8 mm, which are designed by TOP and manufactured by SLM. During manufacturability exploration, three typical structures including spiral structure, arched bridge structure and structures with thin walls and small holes are abstracted and investigated, analyzing their manufacturing limits and forming reason. The property tests show that dynamic elastic modulus and compressive strength of porous structures decreases with increases of porosity (constant unit cell size) or unit cell size (constant porosity). Based on the Gibson-Ashby model, three failure models are proposed to describe their compressive behavior, and the structural parameter λ is used to evaluate the stability of the porous structure. Finally, a numerical model for the correlation between porous structural parameters (unit cell size and porosity) and elastic modulus is established, which provides a theoretical reference for matching the elastic modulus of human bones from different age, gender and skeletal sites during innovative medical implant design and manufacturing.

  10. Design of 3D Graphene-Oxide Spheres and Their Derived Hierarchical Porous Structures for High Performance Supercapacitors.

    Li, Zhuangnan; Gadipelli, Srinivas; Yang, Yuchen; Guo, Zhengxiao

    2017-11-01

    Graphene-oxide (GO) based porous structures are highly desirable for supercapacitors, as the charge storage and transfer can be enhanced by advancement in the synthesis. An effective route is presented of, first, synthesis of three-dimensional (3D) assembly of GO sheets in a spherical architecture (GOS) by flash-freezing of GO dispersion, and then development of hierarchical porous graphene (HPG) networks by facile thermal-shock reduction of GOS. This leads to a superior gravimetric specific capacitance of ≈306 F g -1 at 1.0 A g -1 , with a capacitance retention of 93% after 10 000 cycles. The values represent a significant capacitance enhancement by 30-50% compared with the GO powder equivalent, and are among the highest reported for GO-based structures from different chemical reduction routes. Furthermore, a solid-state flexible supercapacitor is fabricated by constructing the HPG with polymer gel electrolyte, exhibiting an excellent areal specific capacitance of ≈220 mF cm -2 at 1.0 mA cm -2 with exceptional cyclic stability. The work reveals a facile but efficient synthesis approach of GO-based materials to enhance the capacitive energy storage. © 2017 The Authors. Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Effects of thermo-order-mechanical coupling on band structures in liquid crystal nematic elastomer porous phononic crystals.

    Yang, Shuai; Liu, Ying

    2018-08-01

    Liquid crystal nematic elastomers are one kind of smart anisotropic and viscoelastic solids simultaneously combing the properties of rubber and liquid crystals, which is thermal sensitivity. In this paper, the wave dispersion in a liquid crystal nematic elastomer porous phononic crystal subjected to an external thermal stimulus is theoretically investigated. Firstly, an energy function is proposed to determine thermo-induced deformation in NE periodic structures. Based on this function, thermo-induced band variation in liquid crystal nematic elastomer porous phononic crystals is investigated in detail. The results show that when liquid crystal elastomer changes from nematic state to isotropic state due to the variation of the temperature, the absolute band gaps at different bands are opened or closed. There exists a threshold temperature above which the absolute band gaps are opened or closed. Larger porosity benefits the opening of the absolute band gaps. The deviation of director from the structural symmetry axis is advantageous for the absolute band gap opening in nematic state whist constrains the absolute band gap opening in isotropic state. The combination effect of temperature and director orientation provides an added degree of freedom in the intelligent tuning of the absolute band gaps in phononic crystals. Copyright © 2018 Elsevier B.V. All rights reserved.

  12. Influence of the metakaolin on porous structure of matrixes based in mk/cement

    Frías, M.

    2000-09-01

    Full Text Available The incorporation of pozzolanic materials in the manufacturing of blended cement has a positive effect on the improvement of blended mortar and concretes performances. These active additions modify porous structure, impeding or delaying the access of aggressive solutions and, therefore materials more durable are possible of obtaining. An increase or decrease on the durability of blended pastes, mortars and concretes will depend on chemical and mineralogical compositions, fineness and reaction kinetics of these pozzolans. The current work shows the results of a research carried out in blended pastes to know the effect of activated material (metakaolin on the microporosity of pastes elaborated with different amounts of mk (0-25%. A water/ binder ratio of 0,55 was used. Samples were cured at 20ºC for 360 days. The evolution of total, capilary and gel porosity as well as average pore size were carried out through mercury intrusion porosimeter (MIP. Also, the helium pycnometer as alternative method to obtain additional information about porosity above 1,4 Å was used. A good correlation between both methods has been obtained. In addition, it is proposed the best mk content for the elaboration of mk-blended pastes.

    La incorporación de materiales puzolánicos presenta un efecto positivo en la mejora de las prestaciones de los morteros y hormigones mixtos. Estos modifican la estructura porosa, impidiendo o retrasando el acceso de los medios agresivos y, por lo tanto, contribución a la obtención de materiales mixtos más durables. La mayor o menor durabilidad de las pastas, morteros y hormigones mixtos dependerá de la composición química, mineralógica, finura y de la cinética de reacción de estas adiciones activas. En el presente trabajo se recogen los resultados de una investigación llevada a cabo para conocer el efecto de un material activado (metacaolin en la microporosidad de pastas, elaboradas con diferentes contenidos de

  13. Structural Uncertainty in Antarctic sea ice simulations

    Schneider, D. P.

    2016-12-01

    The inability of the vast majority of historical climate model simulations to reproduce the observed increase in Antarctic sea ice has motivated many studies about the quality of the observational record, the role of natural variability versus forced changes, and the possibility of missing or inadequate forcings in the models (such as freshwater discharge from thinning ice shelves or an inadequate magnitude of stratospheric ozone depletion). In this presentation I will highlight another source of uncertainty that has received comparatively little attention: Structural uncertainty, that is, the systematic uncertainty in simulated sea ice trends that arises from model physics and mean-state biases. Using two large ensembles of experiments from the Community Earth System Model (CESM), I will show that the model is predisposed towards producing negative Antarctic sea ice trends during 1979-present, and that this outcome is not simply because the model's decadal variability is out-of-synch with that in nature. In the "Tropical Pacific Pacemaker" ensemble, in which observed tropical Pacific SST anomalies are prescribed, the model produces very realistic atmospheric circulation trends over the Southern Ocean, yet the sea ice trend is negative in every ensemble member. However, if the ensemble-mean trend (commonly interpreted as the forced response) is removed, some ensemble members show a sea ice increase that is very similar to the observed. While this results does confirm the important role of natural variability, it also suggests a strong bias in the forced response. I will discuss the reasons for this systematic bias and explore possible remedies. This an important problem to solve because projections of 21st -Century changes in the Antarctic climate system (including ice sheet surface mass balance changes and related changes in the sea level budget) have a strong dependence on the mean state of and changes in the Antarctic sea ice cover. This problem is not unique to

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

    Liu, Haihu; Zhang, Yonghao; Valocchi, Albert J.

    2015-01-01

    Injection of anthropogenic carbon dioxide (CO 2 ) into geological formations is a promising approach to reduce greenhouse gas emissions into the atmosphere. Predicting the amount of CO 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 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 nw . In either pore networks, the specific interfacial length is linearly proportional to S 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 nw for either favorable (M ≥ 1) or unfavorable (M < 1) displacement, and the slope is slightly higher for the unfavorable displacement

  15. Flexible, Highly Sensitive, and Wearable Pressure and Strain Sensors with Graphene Porous Network Structure.

    Pang, Yu; Tian, He; Tao, Luqi; Li, Yuxing; Wang, Xuefeng; Deng, Ningqin; Yang, Yi; Ren, Tian-Ling

    2016-10-03

    A mechanical sensor with graphene porous network (GPN) combined with polydimethylsiloxane (PDMS) is demonstrated by the first time. Using the nickel foam as template and chemically etching method, the GPN can be created in the PDMS-nickel foam coated with graphene, which can achieve both pressure and strain sensing properties. Because of the pores in the GPN, the composite as pressure and strain sensor exhibit wide pressure sensing range and highest sensitivity among the graphene foam-based sensors, respectively. In addition, it shows potential applications in monitoring or even recognize the walking states, finger bending degree, and wrist blood pressure.

  16. Aerogels of 1D Coordination Polymers: From a Non-Porous Metal-Organic Crystal Structure to a Highly Porous Material

    Adrián Angulo-Ibáñez

    2016-01-01

    Full Text Available The processing of an originally non-porous 1D coordination polymer as monolithic gel, xerogel and aerogel is reported as an alternative method to obtain novel metal-organic porous materials, conceptually different to conventional crystalline porous coordination polymer (PCPs or metal-organic frameworks (MOFs. Although the work herein reported is focused upon a particular kind of coordination polymer ([M(μ-ox(4-apy2]n, M: Co(II, Ni(II, the results are of interest in the field of porous materials and of MOFs, as the employed synthetic approach implies that any coordination polymer could be processable as a mesoporous material. The polymerization conditions were fixed to obtain stiff gels at the synthesis stage. Gels were dried at ambient pressure and at supercritical conditions to render well shaped monolithic xerogels and aerogels, respectively. The monolithic shape of the synthesis product is another remarkable result, as it does not require a post-processing or the use of additives or binders. The aerogels of the 1D coordination polymers are featured by exhibiting high pore volumes and diameters ranging in the mesoporous/macroporous regions which endow to these materials the ability to deal with large-sized molecules. The aerogel monoliths present markedly low densities (0.082–0.311 g·cm−3, an aspect of interest for applications that persecute light materials.

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

    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.

  18. Transport of radionuclides by concentrated brine in a porous medium with micropore-macropore structure

    Hassanizadeh, S.M.

    1987-01-01

    This work concerns itself with the study of effects of soil aggregation and high salt concentrations on the transport of radionuclides by concentrated brine flowing through an aggregated porous medium. The medium is considered to be composed of porous rock aggregates separated by macropores through which the brine flows and transport of salt and radionuclides takes place. The aggregates contain dead-end pores, cracks, and stationary pockets collectively called micropores. The micropore space does not contribute to the flow, but it serves as a storage for salt and radionuclides. Adsorption of radionuclides takes place at internal surfaces of aggregates where they assume that a linear equilibrium isotherm describes the process. A one-dimensional numerical model is developed which is based on two sets of equations: one set for the flow and transport of salt and another set for transport of radionuclides. Results of numerical experiments clearly indicate that the existence of high salt concentrations markedly reduces the peak of nuclides concentration and slows down their movement. Also, it is found that diffusive mass exchange between macropores and aggregates results in a pronounced lowering of the radionuclides concentration peaks. 9 references, 7 figures

  19. Porous structured niobium pentoxide/carbon complex for lithium-ion intercalation pseudocapacitors

    Luo, Guoming; Li, Heshun; Gao, Lixin; Zhang, Daquan; Lin, Tong

    2016-01-01

    Highlights: • A simple one-pot in situ hydrothermal method to prepare T-Nb_2O_5/C. • The composite has well-dispersed C among nano-scale Nb_2O_5. • The composite has excellent large-current discharge property. • The composite has no obvious drop after 1000 cycles at 5 A g"−"1. - Abstract: A facile soft-templated synthesis of the niobium pentoxide/carbon (Nb_2O_5/C) from the polymerization of resorcinol with formaldehyde under the hydrothermal condition is introduced. This material has been characterized by X-ray diffraction (XRD), transmission electron microscope (TEM) and energy dispersive spectrometer (EDS) techniques. The carbon is well-dispersed in the nanostructure along with Nb_2O_5 and the material is porous. The intimate contact between Nb_2O_5 and carbon improves its conductivity. The electrochemical studies revealed that the porous Nb_2O_5/C displayed good pseudocapacitive response. The specific capacitance of the Nb_2O_5/C was 387 F g"−"1 at 0.1 A g"−"1 and 210 F g"−"1 at 5 A g"−"1. The Nb_2O_5/C exhibits superior cycling performance, which can remain about 96% of its initial capacitance after 1000 cycles at 5 A g"−"1.

  20. In Situ Reductive Synthesis of Structural Supported Gold Nanorods in Porous Silicon Particles for Multifunctional Nanovectors.

    Zhu, Guixian; Liu, Jen-Tsai; Wang, Yuzhen; Zhang, Dechen; Guo, Yi; Tasciotti, Ennio; Hu, Zhongbo; Liu, Xuewu

    2016-05-11

    Porous silicon nanodisks (PSD) were fabricated by the combination of photolithography and electrochemical etching of silicon. By using PSD as a reducing agent, gold nanorods (AuNR) were in situ synthesized in the nanopores of PSD, forming PSD-supported-AuNR (PSD/AuNR) hybrid particles. The formation mechanism of AuNR in porous silicon (pSi) was revealed by exploring the role of pSi reducibility and each chemical in the reaction. With the PSD support, AuNR exhibited a stable morphology without toxic surface ligands (CTAB). The PSD/AuNR hybrid particles showed enhanced plasmonic property compared to free AuNR. Because high-density "hot spots" can be generated by controlling the distribution of AuNR supported in PSD, surface-enhanced raman scattering (SERS) using PSD/AuNR as particle substrates was demonstrated. A multifunctional vector, PSD/AuNR/DOX, composed of doxorubicin (DOX)-loaded PSD/AuNR capped with agarose (agar), was developed for highly efficient, combinatorial cancer treatment. Their therapeutic efficacy was examined using two pancreatic cancer cell lines, PANC-1 and MIA PaCa-2. PSD/AuNR/DOX (20 μg Au and 1.25 μg DOX/mL) effectively destroyed these cells under near-IR laser irradiation (810 nm, 15 J·cm(-2) power, 90 s). Overall, we envision that PSD/AuNR may be a promising injectable, multifunctional nanovector for biomedical application.

  1. Towards realistic flow modelling. Creation and evaluation of two-dimensional simulated porous media: An image analysis approach

    Anguy, Yannick; Bernard, Dominique; Ehrlich, Robert

    1996-05-01

    This work is part of an attempt to quantify the relationship between the permeability tensor ( K) and the micro-structure of natural porous media. A brief account is first provided of popular theories used to relate the micro-structure to K. Reasons for the lack of predictive power and restricted generality of current models are discussed. An alternative is an empirically based implicit model wherein K is expressed as a consequence of a few “pore-types” arising from the dynamics of depositional processes. The analytical form of that implicit model arises from evidence of universal association between pore-type and throat size in sandstones and carbonates. An explicit model, relying on the local change of scale technique is then addressed. That explicit model allows, from knowledge of the three-dimensional micro-geometry to calculate K explicitly without having recourse to any constitutive assumptions. The predictive and general character of the explicit model is underlined. The relevance of the change of scale technique is recalled to be contingent on the availability of rock-like three-dimensional synthetic media. A random stationary ergodic process is developed, that allows us to generate three-dimensional synthetic media from a two-dimensional autocorrelation function r(λ x ,λ y ) and associated probability density function ∈ β measured on a single binary image. The focus of this work is to ensure the rock-like character of those synthetic media. This is done first through a direct approach: n two-dimensional synthetic media, derived from single set ( ∈ β , r(λ x ,λ y )) yield n permeability tensors K {/i-1,n i} (calculated by the local change of scale) of the same order. This is a necessary condition to ensure that r(λ x ,λ y ) and ∈ β carry all structural information relevant to K. The limits of this direct approach, in terms of required Central Process Unit time and Memory is underlined, raising the need for an alternative. This is done by

  2. Fully coupled numerical simulation of fire in tunnels: From fire scenario to structural response

    Pesavento F.

    2013-09-01

    Full Text Available In this paper we present an efficient tool for simulation of a fire scenario in a tunnel. The strategy adopted is based on a 3D-2D coupling technique between the fluid domain and the solid one. So, the thermally driven CFD part is solved in a three dimensional cavity i.e. the tunnel, and the concrete part is solved on 2D sections normal to the tunnel axis, at appropriate intervals. The heat flux and temperature values, which serve as coupling terms between the fluid and the structural problem, are interpolated between the sections. Between the solid and the fluid domain an interface layer is created for the calculation of the heat flux exchange based on a “wall law”. In the analysis of the concrete structures, concrete is treated as a multiphase porous material. Some examples of application of this fully coupled tool will be shown.

  3. Simulating CubeSat Structure Deployment Dynamics, Phase I

    National Aeronautics and Space Administration — There is high value in simulating the nonlinear dynamics of stowing, deploying, and performance of deployable space structures, especially given the profound...

  4. A POROUS, LAYERED HELIOPAUSE

    Swisdak, M.; Drake, J. F. [Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, MD 20742 (United States); Opher, M., E-mail: swisdak@umd.edu, E-mail: drake@umd.edu, E-mail: mopher@bu.edu [Department of Astronomy, Boston University, 725 Commonwealth Avenue, Boston, MA 02215 (United States)

    2013-09-01

    The picture of the heliopause (HP)-the boundary between the domains of the Sun and the local interstellar medium (LISM)-as a pristine interface with a large rotation in the magnetic field fails to describe recent Voyager 1 (V1) data. Magnetohydrodynamic (MHD) simulations of the global heliosphere reveal that the rotation angle of the magnetic field across the HP at V1 is small. Particle-in-cell simulations, based on cuts through the MHD model at V1's location, suggest that the sectored region of the heliosheath (HS) produces large-scale magnetic islands that reconnect with the interstellar magnetic field while mixing LISM and HS plasma. Cuts across the simulation reveal multiple, anti-correlated jumps in the number densities of LISM and HS particles, similar to those observed, at the magnetic separatrices. A model is presented, based on both the observations and simulations, of the HP as a porous, multi-layered structure threaded by magnetic fields. This model further suggests that contrary to the conclusions of recent papers, V1 has already crossed the HP.

  5. Broadband permittivity measurements on porous planetary regoliths simulants, in relation with the Rosetta mission to 67P/C-G

    Brouet, Yann; Levasseur-Regourd, Anny-Chantal; Encrenaz, Pierre; Sabouroux, Pierre; Heggy, Essam; Kofman, Wlodek; Thomas, Nick

    2015-04-01

    The Rosetta mission has successfully rendezvous comet 67P/Churyumov-Gerasimenko (hereafter 67P) last year and landed Philae module on its nucleus on 12 November it 2014. Among instruments onboard Rosetta, MIRO [1], composed of two radiometers, with receivers at 190 GHz and 563 GHz (center-band), is dedicated to the measurements of the subsurface and surface brightness temperatures. These values depend on the complex relative permittivity (hereafter permittivity) with ɛ' and ɛ'' the real and imaginary parts. The permittivity of the material depends on frequency, bulk density/porosity, composition and temperature [2]. Considering the very low bulk density of 67P nucleus (about 450 kg.m-3 [3]) and the suspected presence of a dust mantle in many areas of the nucleus [4], investigations on the permittivity of porous granular samples are needed to support the interpretation of MIRO data, as well as of other microwave experiments onboard Rosetta, e.g. CONSERT [5], a bistatic penetrating radar working at 90 MHz. We have developed a programme of permittivity measurements on porous granular samples over a frequency range from 50 MHz to 190 GHz under laboratory conditions (e.g. [6] and [7]). We present new results obtained on JSC-1A lunar soil simulant and ashes from Etna. The samples were split into several sub-samples with different size ranges covering a few to 500 μm. Bulk densities of the sub-samples were carefully measured and found to be in the 800-1400 kg.m-3 range. Sub-samples were also dried and volumetric moisture content was found to be below 0.6%. From 50 MHz to 6 GHz and at 190 GHz, the permittivity has been determined, respectively with a coaxial cell and with a quasi-optical bench mounted in transmission, both connected to a vector network analyzer. The results demonstrate the dispersive behaviours of ɛ' between 50 MHz and 190 GHz. Values of ɛ' remain within the 3.9-2.6 range for all sub-samples. At CONSERT frequency, ɛ'' is within the 0.01-0.09 range

  6. Simulation of sound transmission through the porous material, determining the parameters of acoustic absorption and sound reduction

    Zvolenský Peter

    2018-01-01

    Full Text Available Currently, the quality of structural design of a railway coach is evaluated by so called acoustic comfort, which is characterized by achieved levels of internal noise. Therefore, acoustic parameters of car body are being developed purposely. The paper presents the results of the computer simulation of noise transmission through the wagon walls and the use of noise tests from the train running. The acoustic properties of the original and new materials in the care body are compared.

  7. Effect of pore structure on anomalous behaviour of the lithium intercalation into porous V2O5 film electrode using fractal geometry concept

    Jung, Kyu-Nam; Pyun, Su-Il

    2006-01-01

    The effect of pore structure on anomalous behaviour of the lithium intercalation into porous V 2 O 5 film electrode has been investigated in terms of fractal geometry by employing ac-impedance spectroscopy combined with N 2 gas adsorption method and atomic force microscopy (AFM). For this purpose, porous V 2 O 5 film electrodes with different pore structures were prepared by the polymer surfactant templating method. From the analysis of N 2 gas adsorption isotherms and the triangulation analysis of AFM images, it was found that porous V 2 O 5 surfaces exhibited self-similar scaling properties with different fractal dimensions depending upon amount of the polymer surfactant in solution and the spatial cut-off ranges. All the ac-impedance spectra measured on porous V 2 O 5 film electrodes showed the non-ideal behaviour of the charge-transfer reaction and the diffusion reaction, which resulted from the interfacial capacitance dispersion and the frequency dispersion of the diffusion impedance, respectively. From the comparison between the surface fractal dimensions by using N 2 gas adsorption method and AFM, and the analysis of ac-impedance spectra by employing a constant phase element (CPE), it is experimentally confirmed that the lithium intercalation into porous V 2 O 5 film electrode is crucially influenced by the pore surface irregularity and the film surface irregularity

  8. Hydroxyapatite-based porous aggregates: physico-chemical nature, structure, texture and architecture.

    Fabbri, M; Celotti, G C; Ravaglioli, A

    1995-02-01

    At the request of medical teams from the maxillofacial sector, a highly porous ceramic support based on hydroxyapatite of around 70-80% porosity was produced with a pore size distribution similar to bone texture ( 150 microns, approximately 86 vol%). The ceramic substrates were conceived not only as a fillers for bone cavities, but also for use as drug dispensers and as supports to host cells to produce particular therapeutic agents. A method is suggested to obtain a substrate of high porosity, exploiting the impregnation of spongy substrate with hydroxyapatite ceramic particles. X-ray and scanning electron microscopy analyses were carried out to evaluate the nature of the new ceramic support in comparison with the most common commercial product; pore size distribution and porosity were controlled to known hydroxyapatite ceramic architecture for the different possible uses.

  9. Porous structured niobium pentoxide/carbon complex for lithium-ion intercalation pseudocapacitors

    Luo, Guoming; Li, Heshun; Gao, Lixin [School of Environmental and Chemical Engineering, Shanghai University of Electric Power, Shanghai 200090 (China); Zhang, Daquan, E-mail: zhangdaquan@shiep.edu.cn [School of Environmental and Chemical Engineering, Shanghai University of Electric Power, Shanghai 200090 (China); Lin, Tong [Institute for Frontier Materials, Deakin University, Geelong, VIC 3216 (Australia)

    2016-12-15

    Highlights: • A simple one-pot in situ hydrothermal method to prepare T-Nb{sub 2}O{sub 5}/C. • The composite has well-dispersed C among nano-scale Nb{sub 2}O{sub 5}. • The composite has excellent large-current discharge property. • The composite has no obvious drop after 1000 cycles at 5 A g{sup −1}. - Abstract: A facile soft-templated synthesis of the niobium pentoxide/carbon (Nb{sub 2}O{sub 5}/C) from the polymerization of resorcinol with formaldehyde under the hydrothermal condition is introduced. This material has been characterized by X-ray diffraction (XRD), transmission electron microscope (TEM) and energy dispersive spectrometer (EDS) techniques. The carbon is well-dispersed in the nanostructure along with Nb{sub 2}O{sub 5} and the material is porous. The intimate contact between Nb{sub 2}O{sub 5} and carbon improves its conductivity. The electrochemical studies revealed that the porous Nb{sub 2}O{sub 5}/C displayed good pseudocapacitive response. The specific capacitance of the Nb{sub 2}O{sub 5}/C was 387 F g{sup −1} at 0.1 A g{sup −1} and 210 F g{sup −1} at 5 A g{sup −1}. The Nb{sub 2}O{sub 5}/C exhibits superior cycling performance, which can remain about 96% of its initial capacitance after 1000 cycles at 5 A g{sup −1}.

  10. Acceleration of Gas Flow Simulations in Dual-Continuum Porous Media Based on the Mass-Conservation POD Method

    Wang, Yi

    2017-09-12

    Reduced-order modeling approaches for gas flow in dual-porosity dual-permeability porous media are studied based on the proper orthogonal decomposition (POD) method combined with Galerkin projection. The typical modeling approach for non-porous-medium liquid flow problems is not appropriate for this compressible gas flow in a dual-continuum porous media. The reason is that non-zero mass transfer for the dual-continuum system can be generated artificially via the typical POD projection, violating the mass-conservation nature and causing the failure of the POD modeling. A new POD modeling approach is proposed considering the mass conservation of the whole matrix fracture system. Computation can be accelerated as much as 720 times with high precision (reconstruction errors as slow as 7.69 × 10−4%~3.87% for the matrix and 8.27 × 10−4%~2.84% for the fracture).

  11. Acceleration of Gas Flow Simulations in Dual-Continuum Porous Media Based on the Mass-Conservation POD Method

    Wang, Yi; Sun, Shuyu; Yu, Bo

    2017-01-01

    Reduced-order modeling approaches for gas flow in dual-porosity dual-permeability porous media are studied based on the proper orthogonal decomposition (POD) method combined with Galerkin projection. The typical modeling approach for non-porous-medium liquid flow problems is not appropriate for this compressible gas flow in a dual-continuum porous media. The reason is that non-zero mass transfer for the dual-continuum system can be generated artificially via the typical POD projection, violating the mass-conservation nature and causing the failure of the POD modeling. A new POD modeling approach is proposed considering the mass conservation of the whole matrix fracture system. Computation can be accelerated as much as 720 times with high precision (reconstruction errors as slow as 7.69 × 10−4%~3.87% for the matrix and 8.27 × 10−4%~2.84% for the fracture).

  12. Multilayer porous UHMWPE scaffolds for bone defects replacement

    Maksimkin, A.V. [National University of Science and Technology “MISIS”, Moscow (Russian Federation); Senatov, F.S., E-mail: senatov@misis.ru [National University of Science and Technology “MISIS”, Moscow (Russian Federation); Anisimova, N.Yu.; Kiselevskiy, M.V. [National University of Science and Technology “MISIS”, Moscow (Russian Federation); N.N. Blokhin Russian Cancer Research Center, Moscow (Russian Federation); Zalepugin, D.Yu.; Chernyshova, I.V.; Tilkunova, N.A. [State Plant of Medicinal Drugs, Moscow (Russian Federation); Kaloshkin, S.D. [National University of Science and Technology “MISIS”, Moscow (Russian Federation)

    2017-04-01

    Reconstruction of the structural integrity of the damaged bone tissue is an urgent problem. UHMWPE may be potentially used for the manufacture of porous implants simulating as closely as possible the porous cancellous bone tissue. But the extremely high molecular weight of the polymer does not allow using traditional methods of foaming. Porous and multilayer UHMWPE scaffolds with nonporous bulk layer and porous layer that mimics cancellous bone architecture were obtained by solid-state mixing, thermopressing and washing in subcritical water. Structural and mechanical properties of the samples were studied. Porous UHMWPE samples were also studied in vitro and in vivo. The pores of UHMWPE scaffold are open and interconnected. Volume porosity of the obtained samples was 79 ± 2%; the pore size range was 80–700 μm. Strong connection of the two layers in multilayer UHMWPE scaffolds was observed with decreased number of fusion defects. Functionality of implants based on multilayer UHMWPE scaffolds is provided by the fixation of scaffolds in the bone defect through ingrowths of the connective tissue into the pores, which ensures the maintenance of the animals' mobility - Highlights: • Porous UHMWPE scaffold mimics cancellous bone architecture, maintaining its flexibility. • Multilayer UHMWPE scaffold is able to simulate different types of bone tissue. • Fixation of scaffolds in the bone provides through ingrowths of the connective tissue into pores. • Multilayer UHMWPE scaffolds can be used for the formation of bone implants.

  13. Multilayer porous UHMWPE scaffolds for bone defects replacement

    Maksimkin, A.V.; Senatov, F.S.; Anisimova, N.Yu.; Kiselevskiy, M.V.; Zalepugin, D.Yu.; Chernyshova, I.V.; Tilkunova, N.A.; Kaloshkin, S.D.

    2017-01-01

    Reconstruction of the structural integrity of the damaged bone tissue is an urgent problem. UHMWPE may be potentially used for the manufacture of porous implants simulating as closely as possible the porous cancellous bone tissue. But the extremely high molecular weight of the polymer does not allow using traditional methods of foaming. Porous and multilayer UHMWPE scaffolds with nonporous bulk layer and porous layer that mimics cancellous bone architecture were obtained by solid-state mixing, thermopressing and washing in subcritical water. Structural and mechanical properties of the samples were studied. Porous UHMWPE samples were also studied in vitro and in vivo. The pores of UHMWPE scaffold are open and interconnected. Volume porosity of the obtained samples was 79 ± 2%; the pore size range was 80–700 μm. Strong connection of the two layers in multilayer UHMWPE scaffolds was observed with decreased number of fusion defects. Functionality of implants based on multilayer UHMWPE scaffolds is provided by the fixation of scaffolds in the bone defect through ingrowths of the connective tissue into the pores, which ensures the maintenance of the animals' mobility - Highlights: • Porous UHMWPE scaffold mimics cancellous bone architecture, maintaining its flexibility. • Multilayer UHMWPE scaffold is able to simulate different types of bone tissue. • Fixation of scaffolds in the bone provides through ingrowths of the connective tissue into pores. • Multilayer UHMWPE scaffolds can be used for the formation of bone implants.

  14. IR-spectroscopical investigations on the glass structure of porous and sintered compacts of colloidal silica gels

    Clasen, Rolf; Hornfeck, M.; Theiss, Wolfgang

    1991-08-01

    The forming and sintering of fumed silica powders is an interesting route for the preparation of large, very pure or doped silica glasses with a precise geometry. The processing from the shaping of a porous compact to the sintering of transparent silica glass can be successfully investigated with optical spectroscopy. As only the dielectric function DF (a dielectric function is the square root of the complex refractive index) characterizes the material, the vibrational bands were calculated from reflectance measurements. In compacts of fine particles, the topology cannot be neglected. Therefore, the models describing topological effects are briefly reviewed. With these model calculations it could be proven that new bands in the compacts and the significant shifts in the reflectance spectra during sintering are mainly caused by topological effects and that changes in the glass structure play only a secondary role.

  15. Simulation of capillary infiltration into packing structures for the optimization of ceramic materials using the lattice Boltzmann method

    Danilo Sergi

    2016-01-01

    Full Text Available This study uses the lattice Boltzmann method (LBM to simulate in 2D the capillary infiltration into porous structures obtained from the packing of particles. The experimental problem motivating the work is the densification of carbon preforms by reactive melt infiltration. The aim is to determine the optimization principles for the manufacturing of high-performance ceramics. Simulations are performed for packings with varying structural properties. The results suggest that the observed slow infiltrations can be ascribed to interface dynamics. Pinning represents the primary factor retarding fluid penetration. The mechanism responsible for this phenomenon is analyzed in detail. When surface growth is allowed, it is found that the phenomenon of pinning becomes stronger. Systems trying to reproduce typical experimental conditions are also investigated. It turns out that the standard for accurate simulations is challenging. The primary obstacle to overcome for enhanced accuracy seems to be the over-occurrence of pinning.

  16. Mechanical characterization of structurally porous biomaterials built via additive manufacturing: experiments, predictive models, and design maps for load-bearing bone replacement implants.

    Melancon, D; Bagheri, Z S; Johnston, R B; Liu, L; Tanzer, M; Pasini, D

    2017-11-01

    Porous biomaterials can be additively manufactured with micro-architecture tailored to satisfy the stringent mechano-biological requirements imposed by bone replacement implants. In a previous investigation, we introduced structurally porous biomaterials, featuring strength five times stronger than commercially available porous materials, and confirmed their bone ingrowth capability in an in vivo canine model. While encouraging, the manufactured biomaterials showed geometric mismatches between their internal porous architecture and that of its as-designed counterpart, as well as discrepancies between predicted and tested mechanical properties, issues not fully elucidated. In this work, we propose a systematic approach integrating computed tomography, mechanical testing, and statistical analysis of geometric imperfections to generate statistical based numerical models of high-strength additively manufactured porous biomaterials. The method is used to develop morphology and mechanical maps that illustrate the role played by pore size, porosity, strut thickness, and topology on the relations governing their elastic modulus and compressive yield strength. Overall, there are mismatches between the mechanical properties of ideal-geometry models and as-manufactured porous biomaterials with average errors of 49% and 41% respectively for compressive elastic modulus and yield strength. The proposed methodology gives more accurate predictions for the compressive stiffness and the compressive strength properties with a reduction of the average error to 11% and 7.6%. The implications of the results and the methodology here introduced are discussed in the relevant biomechanical and clinical context, with insight that highlights promises and limitations of additively manufactured porous biomaterials for load-bearing bone replacement implants. In this work, we perform mechanical characterization of load-bearing porous biomaterials for bone replacement over their entire design

  17. Analysis of Porous Structure Parameters of Biomass Chars Versus Bituminous Coal and Lignite Carbonized at High Pressure and Temperature—A Chemometric Study

    Adam Smoliński

    2017-09-01

    Full Text Available The characteristics of the porous structure of carbonized materials affect their physical properties, such as density or strength, their sorption capacity, and their reactivity in thermochemical processing, determining both their applicability as fuels or sorbents and their efficiency in various processes. The porous structure of chars is shaped by the combined effects of physical and chemical properties of a carbonaceous material and the operating parameters applied in the carbonization process. In the study presented, the experimental dataset covering parameters of various fuels, ranging from biomass through lignite to bituminous coal, and chars produced at 1273 K and under the pressure of 1, 2, 3, and 4 MPa was analyzed with the application of the advanced method of data exploration. The principal component analysis showed that the sample of the highest coal rank was characterized by lower values of parameters reflecting the development of the porous structure of chars. A negative correlation was also observed between the carbon content in a fuel and the evolution of the porous structure of chars at high pressure. The highest total pore volume of chars produced under 1 and 3 MPa and the highest micropore surface area under 3 MPa were reported for a carbonized fuel sample of the highest moisture content.

  18. Structured Ni catalysts on porous anodic alumina membranes for methane dry reforming: NiAl 2 O 4 formation and characterization

    Zhou, Lu

    2015-06-29

    This communication presents the successful design of a structured catalyst based on porous anodic alumina membranes for methane dry reforming. The catalyst with a strong Ni-NiAl2O4 interaction shows both excellent activity and stability. This journal is © The Royal Society of Chemistry.

  19. Structured Ni catalysts on porous anodic alumina membranes for methane dry reforming: NiAl 2 O 4 formation and characterization

    Zhou, Lu; Guo, Y.; Basset, Jean-Marie; Kameyama, H.

    2015-01-01

    This communication presents the successful design of a structured catalyst based on porous anodic alumina membranes for methane dry reforming. The catalyst with a strong Ni-NiAl2O4 interaction shows both excellent activity and stability. This journal is © The Royal Society of Chemistry.

  20. Designing a porous-crystalline structure of β-Ga2O3: a potential approach to tune its opto-electronic properties.

    Banerjee, Swastika; Jiang, Xiangwei; Wang, Lin-Wang

    2018-04-04

    β-Ga2O3 has drawn recent attention as a state-of-the-art electronic material due to its stability, optical transparency and appealing performance in power devices. However, it has also found a wider range of opto-electronic applications including photocatalysis, especially in its porous form. For such applications, a lower band gap must be obtained and an electron-hole spatial separation would be beneficial. Like many other metal oxides (e.g. Al2O3), Ga2O3 can also form various types of porous structure. In the present study, we investigate how its optical and electronic properties can be changed in a particular porous structure with stoichiometrically balanced and extended vacancy channels. We apply a set of first principles computational methods to investigate the formation and the structural, dynamic, and opto-electronic properties. We find that such an extended vacancy channel is mechanically stable and has relatively low formation energy. We also find that this results in a spatial separation of the electron and hole, forming a long-lived charge transfer state that has desirable characteristics for a photocatalyst. In addition, the electronic band gap reduces to the vis-region unlike the transparency in the pure β-Ga2O3 crystal. Thus, our systematic study is promising for the application of such a porous structure of β-Ga2O3 as a versatile electronic material.