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Sample records for non-equilibrium porous-media model

  1. Non-equilibrium thermochemical heat storage in porous media: Part 1 – Conceptual model

    International Nuclear Information System (INIS)

    Nagel, T.; Shao, H.; Singh, A.K.; Watanabe, N.; Roßkopf, C.; Linder, M.; Wörner, A.; Kolditz, O.

    2013-01-01

    Thermochemical energy storage can play an important role in the establishment of a reliable renewable energy supply and can increase the efficiency of industrial processes. The application of directly permeated reactive beds leads to strongly coupled mass and heat transport processes that also determine reaction kinetics. To advance this technology beyond the laboratory stage requires a thorough theoretical understanding of the multiphysics phenomena and their quantification on a scale relevant to engineering analyses. Here, the theoretical derivation of a macroscopic model for multicomponent compressible gas flow through a porous solid is presented along with its finite element implementation where solid–gas reactions occur and both phases have individual temperature fields. The model is embedded in the Theory of Porous Media and the derivation is based on the evaluation of the Clausius–Duhem inequality. Special emphasis is placed on the interphase coupling via mass, momentum and energy interaction terms and their effects are partially illustrated using numerical examples. Novel features of the implementation of the described model are verified via comparisons to analytical solutions. The specification, validation and application of the full model to a calcium hydroxide/calcium oxide based thermochemical storage system are the subject of part 2 of this study. - Highlights: • Rigorous application of the Theory of Porous Media and the 2nd law of thermodynamics. • Thermodynamically consistent model for thermochemical heat storage systems. • Multicomponent gas; modified Fick's and Darcy's law; thermal non-equilibrium; solid–gas reactions. • Clear distinction between source and production terms. • Open source finite element implementation and benchmarks

  2. The thermal non-equilibrium porous media modelling for CFD study of woven wire matrix of a Stirling regenerator

    International Nuclear Information System (INIS)

    Costa, S.C.; Barreno, I.; Tutar, M.; Esnaola, J.A.; Barrutia, H.

    2015-01-01

    Highlights: • A numerical procedure to derive porous media’s coefficients is proposed. • The local thermal non-equilibrium porous media model is more suitable for regenerators. • The regenerator temperature profiles can be better fitted to a logarithmic curve. • The wound woven wire matrix provides lower performance compared to stacked. • The numerical characterization methodology is useful for the multi-D Stirling engine models. - Abstract: Different numerical methods can be applied to the analysis of the flow through the Stirling engine regenerator. One growing approach is to model the regenerator as porous medium to simulate and design the full Stirling engine in three-dimensional (3-D) manner. In general, the friction resistance coefficients and heat transfer coefficient are experimentally obtained to describe the flow and thermal non-equilibrium through a porous medium. A finite volume method (FVM) based non-thermal equilibrium porous media modelling approach characterizing the fluid flow and heat transfer in a representative small detailed flow domain of the woven wire matrix is proposed here to obtain the porous media coefficients without further requirement of experimental studies. The results are considered to be equivalent to those obtained from the detailed woven wire matrix for the pressure drop and heat transfer. Once the equivalence between the models is verified, this approach is extended to model oscillating regeneration cycles through a full size regenerator porous media for two different woven wire matrix configurations of stacked and wound types. The results suggest that the numerical modelling approach proposed here can be applied with confidence to model the regenerator as a porous media in the multi-dimensional (multi-D) simulations of Stirling engines

  3. Entropy generation of viscous dissipative flow in thermal non-equilibrium porous media with thermal asymmetries

    International Nuclear Information System (INIS)

    Chee, Yi Shen; Ting, Tiew Wei; Hung, Yew Mun

    2015-01-01

    The effect of thermal asymmetrical boundaries on entropy generation of viscous dissipative flow of forced convection in thermal non-equilibrium porous media is analytically studied. The two-dimensional temperature, Nusselt number and entropy generation contours are analysed comprehensively to provide insights into the underlying physical significance of the effect on entropy generation. By incorporating the effects of viscous dissipation and thermal non-equilibrium, the first-law and second-law characteristics of porous-medium flow are investigated via various pertinent parameters, i.e. heat flux ratio, effective thermal conductivity ratio, Darcy number, Biot number and averaged fluid velocity. For the case of symmetrical wall heat flux, an optimum condition with a high Nusselt number and a low entropy generation is identified at a Darcy number of 10 −4 , providing an ideal operating condition from the second-law aspect. This type of heat and fluid transport in porous media covers a wide range of engineering applications, involving porous insulation, packed-bed catalytic process in nuclear reactors, filtration transpiration cooling, and modelling of transport phenomena of microchannel heat sinks. - Highlights: • Effects of thermal asymmetries on convection in porous-medium are studied. • Exergetic effectiveness of porous media with thermal asymmetries is investigated. • 2-D temperature, Nusselt number and entropy generation contours are analyzed. • Significance of viscous dissipation in entropy generation is scrutinized. • Significance of thermal non-equilibrium in entropy generation is studied

  4. Non-equilibrium thermochemical heat storage in porous media

    DEFF Research Database (Denmark)

    Nagel, T.; Shao, H.; Singh, Ashok

    2013-01-01

    determine reaction kinetics. To advance this technology beyond the laboratory stage requires a thorough theoretical understanding of the multiphysics phenomena and their quantification on a scale relevant to engineering analyses. Here, the theoretical derivation of a macroscopic model for multicomponent...... compressible gas flow through a porous solid is presented along with its finite element implementation where solid-gas reactions occur and both phases have individual temperature fields. The model is embedded in the Theory of Porous Media and the derivation is based on the evaluation of the Clausius......-Duhem inequality. Special emphasis is placed on the interphase coupling via mass, momentum and energy interaction terms and their effects are partially illustrated using numerical examples. Novel features of the implementation of the described model are verified via comparisons to analytical solutions...

  5. Modelling of Emulsion Flow in Porous Media

    Energy Technology Data Exchange (ETDEWEB)

    Abou-Kassem, J.H. [UAE University (United Arab Emirates); Farouq Ali, S.M. [UAE University (United Arab Emirates)

    1995-06-01

    Oil recovery methods predominantly involve emulsion formation. Oil recovery simulation requires the incorporation of emulsion characteristics and flow in porous media, in order to optimize oil recovery from petroleum reservoirs. This paper explored the nature and rheology of emulsions, and evaluated several models of flow of Newtonian and non-Newtonian fluids in porous media. It also summarized in situ emulsion formation in porous media. A model for both Newtonian and non-Newtonian emulsion fluid flow was proposed, with special emphasis on pore size, and tortuosity in the porous media.

  6. Numerical analysis of a non equilibrium two-component two-compressible flow in porous media

    KAUST Repository

    Saad, Bilal Mohammed

    2013-09-01

    We propose and analyze a finite volume scheme to simulate a non equilibrium two components (water and hydrogen) two phase flow (liquid and gas) model. In this model, the assumption of local mass non equilibrium is ensured and thus the velocity of the mass exchange between dissolved hydrogen and hydrogen in the gas phase is supposed finite. The proposed finite volume scheme is fully implicit in time together with a phase-by-phase upwind approach in space and it is discretize the equations in their general form with gravity and capillary terms We show that the proposed scheme satisfies the maximum principle for the saturation and the concentration of the dissolved hydrogen. We establish stability results on the velocity of each phase and on the discrete gradient of the concentration. We show the convergence of a subsequence to a weak solution of the continuous equations as the size of the discretization tends to zero. At our knowledge, this is the first convergence result of finite volume scheme in the case of two component two phase compressible flow in several space dimensions.

  7. Heat transfer analysis of porous media receiver with different transport and thermophysical models using mixture as feeding gas

    International Nuclear Information System (INIS)

    Wang, Fuqiang; Tan, Jianyu; Wang, Zhiqiang

    2014-01-01

    Highlights: • Using local thermal non-equilibrium model to solve heat transfer of porous media. • CH 4 /H 2 O mixture is adopted as feeding gas of porous media receiver. • Radiative transfer equation between porous strut is solved by Rosseland approximation. • Transport and thermophysical models not included in Fluent are programmed by UDFs. • Variations of model on thermal performance of porous media receiver are studied. - Abstract: The local thermal non-equilibrium model is adopted to solve the steady state heat and mass transfer problems of porous media solar receiver. The fluid entrance surface is subjected to concentrated solar radiation, and CH 4 /H 2 O mixture is adopted as feeding gas. The radiative heat transfer equation between porous strut is solved by Rosseland approximation. The impacts of variation in transport and thermophysical characteristics model of gas mixture on thermal performance of porous media receiver are investigated. The transport and thermophysical characteristics models which are not included in software Fluent are programmed by user defined functions (UDFs). The numerical results indicate that models of momentum source term for porous media receiver have significant impact on pressure drop and static pressure distribution, and the radiative heat transfer cannot be omitted during the thermal performance analysis of porous media receiver

  8. Model of two-temperature convective transfer in porous media

    Science.gov (United States)

    Gruais, Isabelle; Poliševski, Dan

    2017-12-01

    In this paper, we study the asymptotic behaviour of the solution of a convective heat transfer boundary problem in an ɛ -periodic domain which consists of two interwoven phases, solid and fluid, separated by an interface. The fluid flow and its dependence with respect to the temperature are governed by the Boussinesq approximation of the Stokes equations. The tensors of thermal diffusion of both phases are ɛ -periodic, as well as the heat transfer coefficient which is used to describe the first-order jump condition on the interface. We find by homogenization that the two-scale limits of the solutions verify the most common system used to describe local thermal non-equilibrium phenomena in porous media (see Nield and Bejan in Convection in porous media, Springer, New York, 1999; Rees and Pop in Transport phenomena in porous media III, Elsevier, Oxford, 2005). Since now, this system was justified only by volume averaging arguments.

  9. Non-equilibrium dog-flea model

    Science.gov (United States)

    Ackerson, Bruce J.

    2017-11-01

    We develop the open dog-flea model to serve as a check of proposed non-equilibrium theories of statistical mechanics. The model is developed in detail. Then it is applied to four recent models for non-equilibrium statistical mechanics. Comparison of the dog-flea solution with these different models allows checking claims and giving a concrete example of the theoretical models.

  10. Analytical interpretation of the local thermal non-equilibrium condition of porous media imbedded in tube heat exchangers

    International Nuclear Information System (INIS)

    Dehghan, Maziar; Jamal-Abad, Milad Tajik; Rashidi, Saman

    2014-01-01

    Highlights: • The Brinkman–Forchheimer–Darcy equation is solved using the perturbation methods. • Temperature profile is obtained analytically using the successive approx. method. • A new dimensionless number representing the intensity of LTNE is presented. • The LENT intensity is proportional to the product of velocity and temperature. • Effects of Da number, porosity of medium, and conductivity ratio are investigated. - Abstract: Local thermal non-equilibrium (LTNE) effects in the developed region of the forced convection in a circular tube filled with saturated porous medium are analytically studied at the constant wall-temperature boundary condition, as well as at the iso-flux boundary condition. The flow in the pipe is described by the Brinkman-Forchheimer-extended Darcy equation. A two-equation model is used for the energy balance. Profiles describing the velocity field obtained by perturbation techniques are used to find the temperature distributions using the successive approximation method. Moreover, the velocity and temperature fields are simulated numerically to validate the results of the analytical part. A fundamental relation and a new dimensionless number, ΔNE, for the temperature difference between the fluid and solid phases (LTNE intensity) are established based on a perturbation analysis. It is found that the LTNE intensity (ΔNE) is proportional to the product of the normalized velocity and the dimensionless temperature at LTE condition and depends on the conductivity ratio, Darcy number, and the porosity of the medium. Finally, the proposed relation for the LTNE intensity is simple and fundamental for estimation of the importance of LTNE condition

  11. Stochastic dynamics modeling solute transport in porous media modeling solute transport in porous media

    CERN Document Server

    Kulasiri, Don

    2002-01-01

    Most of the natural and biological phenomena such as solute transport in porous media exhibit variability which can not be modeled by using deterministic approaches. There is evidence in natural phenomena to suggest that some of the observations can not be explained by using the models which give deterministic solutions. Stochastic processes have a rich repository of objects which can be used to express the randomness inherent in the system and the evolution of the system over time. The attractiveness of the stochastic differential equations (SDE) and stochastic partial differential equations (SPDE) come from the fact that we can integrate the variability of the system along with the scientific knowledge pertaining to the system. One of the aims of this book is to explaim some useufl concepts in stochastic dynamics so that the scientists and engineers with a background in undergraduate differential calculus could appreciate the applicability and appropriateness of these developments in mathematics. The ideas ...

  12. Non-equilibrium modelling of distillation

    NARCIS (Netherlands)

    Wesselingh, JA; Darton, R

    1997-01-01

    There are nasty conceptual problems in the classical way of describing distillation columns via equilibrium stages, and efficiencies or HETP's. We can nowadays avoid these problems by simulating the behaviour of a complete column in one go using a non-equilibrium model. Such a model has phase

  13. a Fractal Network Model for Fractured Porous Media

    Science.gov (United States)

    Xu, Peng; Li, Cuihong; Qiu, Shuxia; Sasmito, Agus Pulung

    2016-04-01

    The transport properties and mechanisms of fractured porous media are very important for oil and gas reservoir engineering, hydraulics, environmental science, chemical engineering, etc. In this paper, a fractal dual-porosity model is developed to estimate the equivalent hydraulic properties of fractured porous media, where a fractal tree-like network model is used to characterize the fracture system according to its fractal scaling laws and topological structures. The analytical expressions for the effective permeability of fracture system and fractured porous media, tortuosity, fracture density and fraction are derived. The proposed fractal model has been validated by comparisons with available experimental data and numerical simulation. It has been shown that fractal dimensions for fracture length and aperture have significant effect on the equivalent hydraulic properties of fractured porous media. The effective permeability of fracture system can be increased with the increase of fractal dimensions for fracture length and aperture, while it can be remarkably lowered by introducing tortuosity at large branching angle. Also, a scaling law between the fracture density and fractal dimension for fracture length has been found, where the scaling exponent depends on the fracture number. The present fractal dual-porosity model may shed light on the transport physics of fractured porous media and provide theoretical basis for oil and gas exploitation, underground water, nuclear waste disposal and geothermal energy extraction as well as chemical engineering, etc.

  14. Modeling microbial processes in porous media

    Science.gov (United States)

    Murphy, Ellyn M.; Ginn, Timothy R.

    The incorporation of microbial processes into reactive transport models has generally proceeded along two separate lines of investigation: (1) transport of bacteria as inert colloids in porous media, and (2) the biodegradation of dissolved contaminants by a stationary phase of bacteria. Research over the last decade has indicated that these processes are closely linked. This linkage may occur when a change in metabolic activity alters the attachment/detachment rates of bacteria to surfaces, either promoting or retarding bacterial transport in a groundwater-contaminant plume. Changes in metabolic activity, in turn, are controlled by the time of exposure of the microbes to electron acceptors/donor and other components affecting activity. Similarly, metabolic activity can affect the reversibility of attachment, depending on the residence time of active microbes. Thus, improvements in quantitative analysis of active subsurface biota necessitate direct linkages between substrate availability, metabolic activity, growth, and attachment/detachment rates. This linkage requires both a detailed understanding of the biological processes and robust quantitative representations of these processes that can be tested experimentally. This paper presents an overview of current approaches used to represent physicochemical and biological processes in porous media, along with new conceptual approaches that link metabolic activity with partitioning of the microorganism between the aqueous and solid phases. Résumé L'introduction des processus microbiologiques dans des modèles de transport réactif a généralement suivi deux voies différentes de recherches: (1) le transport de bactéries sous forme de colloïdes inertes en milieu poreux, et (2) la biodégradation de polluants dissous par une phase stationnaire de bactéries. Les recherches conduites au cours des dix dernières années indiquent que ces processus sont intimement liés. Cette liaison peut intervenir lorsqu

  15. Permeability model of sintered porous media: analysis and experiments

    Science.gov (United States)

    Flórez Mera, Juan Pablo; Chiamulera, Maria E.; Mantelli, Marcia B. H.

    2017-11-01

    In this paper, the permeability of porous media fabricated from copper powder sintering process was modeled and measured, aiming the use of the porosity as input parameter for the prediction of the permeability of sintering porous media. An expression relating the powder particle mean diameter with the permeability was obtained, based on an elementary porous media cell, which is physically represented by a duct formed by the arrangement of spherical particles forming a simple or orthorhombic packing. A circular duct with variable section was used to model the fluid flow within the porous media, where the concept of the hydraulic diameter was applied. Thus, the porous is modeled as a converging-diverging duct. The electrical circuit analogy was employed to determine two hydraulic resistances of the cell: based on the Navier-Stokes equation and on the Darcýs law. The hydraulic resistances are compared between themselves and an expression to determine the permeability as function of average particle diameter is obtained. The atomized copper powder was sifted to reduce the size dispersion of the particles. The porosities and permeabilities of sintered media fabricated from powders with particle mean diameters ranging from 20 to 200 microns were measured, by means of the image analysis method and using an experimental apparatus. The permeability data of a porous media, made of copper powder and saturated with distilled water, was used to compare with the permeability model. Permeability literature models, which considers that powder particles have the same diameter and include porosity data as input parameter, were compared with the present model and experimental data. This comparison showed to be quite good.

  16. POD-Galerkin Model for Incompressible Single-Phase Flow in Porous Media

    KAUST Repository

    Wang, Yi; Yu, Bo; Sun, Shuyu

    2017-01-01

    Fast prediction modeling via proper orthogonal decomposition method combined with Galerkin projection is applied to incompressible single-phase fluid flow in porous media. Cases for different configurations of porous media, boundary conditions

  17. Electrical conductivity modeling in fractal non-saturated porous media

    Science.gov (United States)

    Wei, W.; Cai, J.; Hu, X.; Han, Q.

    2016-12-01

    The variety of electrical conductivity in non-saturated conditions is important to study electric conduction in natural sedimentary rocks. The electrical conductivity in completely saturated porous media is a porosity-function representing the complex connected behavior of single conducting phases (pore fluid). For partially saturated conditions, the electrical conductivity becomes even more complicated since the connectedness of pore. Archie's second law is an empirical electrical conductivity-porosity and -saturation model that has been used to predict the formation factor of non-saturated porous rock. However, the physical interpretation of its parameters, e.g., the cementation exponent m and the saturation exponent n, remains questionable. On basis of our previous work, we combine the pore-solid fractal (PSF) model to build an electrical conductivity model in non-saturated porous media. Our theoretical porosity- and saturation-dependent models contain endmember properties, such as fluid electrical conductivities, pore fractal dimension and tortuosity fractal dimension (representing the complex degree of electrical flowing path). We find the presented model with non-saturation-dependent electrical conductivity datasets indicate excellent match between theory and experiments. This means the value of pore fractal dimension and tortuosity fractal dimension change from medium to medium and depends not only on geometrical properties of pore structure but also characteristics of electrical current flowing in the non-saturated porous media.

  18. Modelling of radon transport in porous media

    NARCIS (Netherlands)

    van der Graaf, E.R.; de Meijer, R.J.; Katase, A; Shimo, M

    1998-01-01

    This paper aims to describe the state of the art of modelling radon transport in soil on basis of multiphase radon transport equations. Emphasis is given to methods to obtain a consistent set of input parameters needed For such models. Model-measurement comparisons with the KVI radon transport

  19. Inverse modelling for flow and transport in porous media

    International Nuclear Information System (INIS)

    Giudici, M.

    2004-01-01

    The problem of parameter identification for flow and transport model in porous media is discussed in this communication. First, a general framework for the development and application of environmental models is discussed. Then the forward and inverse problems for discrete models are described in detail, introducing fundamental concepts (uniqueness, identifiability, stability, conditioning). The importance of model scales is reviewed and is shown its link with the stability and conditioning issues. Finally some remarks are given to the use of several independent sets of data in inverse modelling

  20. Groundwater modelling for fractured and porous media: HYDROCOIN Level 1

    International Nuclear Information System (INIS)

    Noy, D.J.

    1986-01-01

    The report describes work carried out as part of the 'Hydrocoin' project to verify some of the models used by the British Geological Survey on its radioactive waste disposal programme. The author's work on Hydrocoin Level 1 concerned groundwater modelling for fractured and porous media. The overall conclusions arising from the work were: a) pressure fields in saturated media can be reliably calculated by existing programmes, b) three techniques for deriving the flow fields are described, and c) severe practical limitations exist as to the ability of current programs to model variably saturated conditions over moderate distances. (U.K.)

  1. Complex three dimensional modelling of porous media using high performance computing and multi-scale incompressible approach

    Science.gov (United States)

    Martin, R.; Orgogozo, L.; Noiriel, C. N.; Guibert, R.; Golfier, F.; Debenest, G.; Quintard, M.

    2013-05-01

    computed by sending batteries of codes in a mass production procedure. Some constraints can now be provided for poro-elastic imaging at the scale of reservoirs, for CO2 storage monitoring or geophysical exploration. 1. Golfier F. et al., Biofilms in porous media: Development of macroscopic transport equations va volume averaging with closure for local mass equilibrium conditions, Advances in Water Resources, 32, 463-485 (2009). 2. Orgogozo L. et al., Upscaling of transport processes in porous media with biofilms in non-equilibrium conditions, Advances in Water Resources, 33(5), 585-600 (2010). 3. Davit Y. et al., Modeling non-equilibrium mass transport in biologically reactive porous media, Advances in Water Resources, 33, 1075-1093, (2010). 4. Davit Y. et al., Imaging biofilm in porous media using X-ray computed micro-tomography, Journal of Microscopy, 242(1), 15-25 (2010). 5. Noiriel C. et al., Upscaling calcium carbonate precipitation rates from pore to continuum scale, Chemical Geology, 318-319, 60-74 (2012).

  2. Geometric Models for Isotropic Random Porous Media: A Review

    Directory of Open Access Journals (Sweden)

    Helmut Hermann

    2014-01-01

    Full Text Available Models for random porous media are considered. The models are isotropic both from the local and the macroscopic point of view; that is, the pores have spherical shape or their surface shows piecewise spherical curvature, and there is no macroscopic gradient of any geometrical feature. Both closed-pore and open-pore systems are discussed. The Poisson grain model, the model of hard spheres packing, and the penetrable sphere model are used; variable size distribution of the pores is included. A parameter is introduced which controls the degree of open-porosity. Besides systems built up by a single solid phase, models for porous media with the internal surface coated by a second phase are treated. Volume fraction, surface area, and correlation functions are given explicitly where applicable; otherwise numerical methods for determination are described. Effective medium theory is applied to calculate physical properties for the models such as isotropic elastic moduli, thermal and electrical conductivity, and static dielectric constant. The methods presented are exemplified by applications: small-angle scattering of systems showing fractal-like behavior in limited ranges of linear dimension, optimization of nanoporous insulating materials, and improvement of properties of open-pore systems by atomic layer deposition of a second phase on the internal surface.

  3. Computational models of the hydrodynamics of fractured-porous media

    International Nuclear Information System (INIS)

    Grandi, G.M.

    1989-01-01

    The prediction of the flow pattern in fractured-porous media has great importance in the assessment of the local thermohydrological effects of the siting of a nuclear waste repository, among many other technological applications. Computational models must be used due to the complexity of the different phenomena involved which restricts the use of analytical techniques. A new numerical method, based on the boundary-fitted finite-difference technique, is presented in this thesis. The boundaries are external (the boundary of the physical domain), and internal (which correspond to the fracture network). The inclusion of the discrete fracture representation in the volume that represents the porous medium is the difference between the usual approach and the present one. The numerical model has been used in the prediction of the flow pattern in several internationally recognized verification cases and to hypothetical problems of our interest. The results obtained proved that the numerical approach considered gives accurate and reliable predictions of the hydrodynamics of fractured-porous media, allowing its use for the above mentioned studies. (Author) [es

  4. Macro-scale turbulence modelling for flows in porous media

    International Nuclear Information System (INIS)

    Pinson, F.

    2006-03-01

    - This work deals with the macroscopic modeling of turbulence in porous media. It concerns heat exchangers, nuclear reactors as well as urban flows, etc. The objective of this study is to describe in an homogenized way, by the mean of a spatial average operator, turbulent flows in a solid matrix. In addition to this first operator, the use of a statistical average operator permits to handle the pseudo-aleatory character of turbulence. The successive application of both operators allows us to derive the balance equations of the kind of flows under study. Two major issues are then highlighted, the modeling of dispersion induced by the solid matrix and the turbulence modeling at a macroscopic scale (Reynolds tensor and turbulent dispersion). To this aim, we lean on the local modeling of turbulence and more precisely on the k - ε RANS models. The methodology of dispersion study, derived thanks to the volume averaging theory, is extended to turbulent flows. Its application includes the simulation, at a microscopic scale, of turbulent flows within a representative elementary volume of the porous media. Applied to channel flows, this analysis shows that even within the turbulent regime, dispersion remains one of the dominating phenomena within the macro-scale modeling framework. A two-scale analysis of the flow allows us to understand the dominating role of the drag force in the kinetic energy transfers between scales. Transfers between the mean part and the turbulent part of the flow are formally derived. This description significantly improves our understanding of the issue of macroscopic modeling of turbulence and leads us to define the sub-filter production and the wake dissipation. A f - f - w >f model is derived. It is based on three balance equations for the turbulent kinetic energy, the viscous dissipation and the wake dissipation. Furthermore, a dynamical predictor for the friction coefficient is proposed. This model is then successfully applied to the study of

  5. Efficient algorithms for multiscale modeling in porous media

    KAUST Repository

    Wheeler, Mary F.; Wildey, Tim; Xue, Guangri

    2010-01-01

    We describe multiscale mortar mixed finite element discretizations for second-order elliptic and nonlinear parabolic equations modeling Darcy flow in porous media. The continuity of flux is imposed via a mortar finite element space on a coarse grid scale, while the equations in the coarse elements (or subdomains) are discretized on a fine grid scale. We discuss the construction of multiscale mortar basis and extend this concept to nonlinear interface operators. We present a multiscale preconditioning strategy to minimize the computational cost associated with construction of the multiscale mortar basis. We also discuss the use of appropriate quadrature rules and approximation spaces to reduce the saddle point system to a cell-centered pressure scheme. In particular, we focus on multiscale mortar multipoint flux approximation method for general hexahedral grids and full tensor permeabilities. Numerical results are presented to verify the accuracy and efficiency of these approaches. © 2010 John Wiley & Sons, Ltd.

  6. Efficient algorithms for multiscale modeling in porous media

    KAUST Repository

    Wheeler, Mary F.

    2010-09-26

    We describe multiscale mortar mixed finite element discretizations for second-order elliptic and nonlinear parabolic equations modeling Darcy flow in porous media. The continuity of flux is imposed via a mortar finite element space on a coarse grid scale, while the equations in the coarse elements (or subdomains) are discretized on a fine grid scale. We discuss the construction of multiscale mortar basis and extend this concept to nonlinear interface operators. We present a multiscale preconditioning strategy to minimize the computational cost associated with construction of the multiscale mortar basis. We also discuss the use of appropriate quadrature rules and approximation spaces to reduce the saddle point system to a cell-centered pressure scheme. In particular, we focus on multiscale mortar multipoint flux approximation method for general hexahedral grids and full tensor permeabilities. Numerical results are presented to verify the accuracy and efficiency of these approaches. © 2010 John Wiley & Sons, Ltd.

  7. A fractal model of effective stress of porous media and the analysis of influence factors

    Science.gov (United States)

    Li, Wei; Zhao, Huan; Li, Siqi; Sun, Wenfeng; Wang, Lei; Li, Bing

    2018-03-01

    The basic concept of effective stress describes the characteristics of fluid and solid interaction in porous media. In this paper, based on the theory of fractal geometry, a fractal model was built to analyze the relationship between the microstructure and the effective stress of porous media. From the microscopic point of view, the influence of effective stress on pore structure of porous media was demonstrated. Theoretical analysis and experimental results show that: (i) the fractal model of effective stress can be used to describe the relationship between effective stress and the microstructure of porous media; (ii) a linear increase in the effective stress leads to exponential increases in fractal dimension, porosity and pore number of the porous media, and causes a decreasing trend in the average pore radius.

  8. Coupled models in porous media: reactive transport and fractures

    International Nuclear Information System (INIS)

    Amir, L.

    2008-12-01

    This thesis deals with numerical simulation of coupled models for flow and transport in porous media. We present a new method for coupling chemical reactions and transport by using a Newton-Krylov method, and we also present a model of flow in fractured media, based on a domain decomposition method that takes into account the case of intersecting fractures. This study is composed of three parts: the first part contains an analysis, and implementation, of various numerical methods for discretizing advection-diffusion problems, in particular by using operator splitting methods. The second part is concerned with a fully coupled method for modeling transport and chemistry problems. The coupled transport-chemistry model is described, after discretization in time, by a system of nonlinear equations. The size of the system, namely the number of grid points times the number a chemical species, precludes a direct solution of the linear system. To alleviate this difficulty, we solve the system by a Newton-Krylov method, so as to avoid forming and factoring the Jacobian matrix. In the last part, we present a model of flow in 3D for intersecting fractures, by using a domain decomposition method. The fractures are treated as interfaces between sub-domains. We show existence and uniqueness of the solution, and we validate the model by numerical tests. (author)

  9. Modeling heterogeneous unsaturated porous media flow at Yucca Mountain

    International Nuclear Information System (INIS)

    Robey, T.H.

    1994-01-01

    Geologic systems are inherently heterogeneous and this heterogeneity can have a significant impact on unsaturated flow through porous media. Most previous efforts to model groundwater flow through Yucca Mountain have used stratigraphic units with homogeneous properties. However, modeling heterogeneous porous and fractured tuff in a more realistic manner requires numerical methods for generating heterogeneous simulations of the media, scaling of material properties from core scale to computational scale, and flow modeling that allows channeling. The Yucca Mountain test case of the INTRAVAL project is used to test the numerical approaches. Geostatistics is used to generate more realistic representations of the stratigraphic units and heterogeneity within units is generated using sampling from property distributions. Scaling problems are reduced using an adaptive grid that minimizes heterogeneity within each flow element. A flow code based on the dual mixed-finite-element method that allows for heterogeneity and channeling is employed. In the Yucca Mountain test case, the simulated volumetric water contents matched the measured values at drill hole USW UZ-16 except in the nonwelded portion of Prow Pass

  10. Uniqueness of Specific Interfacial Area–Capillary Pressure–Saturation Relationship Under Non-Equilibrium Conditions in Two-Phase Porous Media Flow

    KAUST Repository

    Joekar-Niasar, Vahid

    2012-02-23

    The capillary pressure-saturation (P c-S w) relationship is one of the central constitutive relationships used in two-phase flow simulations. There are two major concerns regarding this relation. These concerns are partially studied in a hypothetical porous medium using a dynamic pore-network model called DYPOSIT, which has been employed and extended for this study: (a) P c-S w relationship is measured empirically under equilibrium conditions. It is then used in Darcy-based simulations for all dynamic conditions. This is only valid if there is a guarantee that this relationship is unique for a given flow process (drainage or imbibition) independent of dynamic conditions; (b) It is also known that P c-S w relationship is flow process dependent. Depending on drainage and imbibition, different curves can be achieved, which are referred to as "hysteresis". A thermodynamically derived theory (Hassanizadeh and Gray, Water Resour Res 29: 3389-3904, 1993a) suggests that, by introducing a new state variable, called the specific interfacial area (a nw, defined as the ratio of fluid-fluid interfacial area to the total volume of the domain), it is possible to define a unique relation between capillary pressure, saturation, and interfacial area. This study investigates these two aspects of capillary pressure-saturation relationship using a dynamic pore-network model. The simulation results imply that P c-S w relation not only depends on flow process (drainage and imbibition) but also on dynamic conditions for a given flow process. Moreover, this study attempts to obtain the first preliminary insights into the global functionality of capillary pressure-saturation-interfacial area relationship under equilibrium and non-equilibrium conditions and the uniqueness of P c-S w-a nw relationship. © 2012 The Author(s).

  11. Stencil method: a Markov model for transport in porous media

    Science.gov (United States)

    Delgoshaie, A. H.; Tchelepi, H.; Jenny, P.

    2016-12-01

    In porous media the transport of fluid is dominated by flow-field heterogeneity resulting from the underlying transmissibility field. Since the transmissibility is highly uncertain, many realizations of a geological model are used to describe the statistics of the transport phenomena in a Monte Carlo framework. One possible way to avoid the high computational cost of physics-based Monte Carlo simulations is to model the velocity field as a Markov process and use Markov Chain Monte Carlo. In previous works multiple Markov models for discrete velocity processes have been proposed. These models can be divided into two general classes of Markov models in time and Markov models in space. Both of these choices have been shown to be effective to some extent. However some studies have suggested that the Markov property cannot be confirmed for a temporal Markov process; Therefore there is not a consensus about the validity and value of Markov models in time. Moreover, previous spacial Markov models have only been used for modeling transport on structured networks and can not be readily applied to model transport in unstructured networks. In this work we propose a novel approach for constructing a Markov model in time (stencil method) for a discrete velocity process. The results form the stencil method are compared to previously proposed spacial Markov models for structured networks. The stencil method is also applied to unstructured networks and can successfully describe the dispersion of particles in this setting. Our conclusion is that both temporal Markov models and spacial Markov models for discrete velocity processes can be valid for a range of model parameters. Moreover, we show that the stencil model can be more efficient in many practical settings and is suited to model dispersion both on structured and unstructured networks.

  12. Colloidal suspensions hydrodynamic retention mechanisms in model porous media

    International Nuclear Information System (INIS)

    Salehi, N.

    1996-01-01

    This study deals with the retention mechanisms of colloidal particles in porous media flows, and the subsequent reduction in permeability in the case of stable and non adsorbing colloids. It combines experimental results and modelling. This study has been realised with stable dispersion of monodispersed carboxylate polystyrene latexes negatively charged injected through negatively charged polycarbonate membranes having mono-sized cylindrical pores. The mean particle diameter is smaller than the mean pore diameter. Both batch and flow experiments in Nuclepore membranes have been done. The results of batch experiments have proved no adsorption of the colloidal latex particles on the surface of the Nuclepore membranes without flow at low salinity. In flow experiments at low particle concentration, only deposition on the upstream side of the membrane have been induced by hydrodynamic forces even for non adsorbing particles without creating any permeability reduction. The retention levels are zero at low and high Peclet numbers with a maximum at intermediate values. Partial plugging was observed at higher colloid concentration even at low salinity without any upstream surface deposition. The modelling of plugging processes is achieved by considering the particle concentration, fluid rate and ratio between the mean pore diameter and the mean particle diameter. This study can be particularly useful in the fields of water treatment and of restoration of lands following radioactive contamination. (author). 96 refs., 99 figs., 29 tabs

  13. Mathematical and numerical modeling considerations for radionuclide ion migration in porous media

    International Nuclear Information System (INIS)

    Treadway, A.H.

    1984-04-01

    The equations governing radionuclide transport in sorbing, porous media are presented using phenomenological coefficients. Both equilibrium controlled and simple rate controlled chemistry are summarized. Several simplified models are discussed. Finally, various numerical problems are considered. 25 references

  14. Non-equilibrium modelling of distillation

    NARCIS (Netherlands)

    Wesselingh, J.A

    This is a lecture on the way that we engineers model distillation. How we have done such modelling, how we would like to do it, and how far we have come at this moment. The ideas that I will be bringing forward are not my own. I owe them mostly to R. Krishna, R. Taylor, H. Kooijman and A. Gorak.

  15. Method of model reduction and multifidelity models for solute transport in random layered porous media

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Zhijie; Tartakovsky, Alexandre M.

    2017-09-01

    This work presents a hierarchical model for solute transport in bounded layered porous media with random permeability. The model generalizes the Taylor-Aris dispersion theory to stochastic transport in random layered porous media with a known velocity covariance function. In the hierarchical model, we represent (random) concentration in terms of its cross-sectional average and a variation function. We derive a one-dimensional stochastic advection-dispersion-type equation for the average concentration and a stochastic Poisson equation for the variation function, as well as expressions for the effective velocity and dispersion coefficient. We observe that velocity fluctuations enhance dispersion in a non-monotonic fashion: the dispersion initially increases with correlation length λ, reaches a maximum, and decreases to zero at infinity. Maximum enhancement can be obtained at the correlation length about 0.25 the size of the porous media perpendicular to flow.

  16. Stochastic modeling of mass transport in porous media

    International Nuclear Information System (INIS)

    Lim, Seung Cheol; Lee, Kun Jai

    1990-01-01

    The stochastic moments analysis technique is developed to investigate radionuclide migration in geologic porous media. The mechanisms for radionuclide transport are assumed to be advection in the micropore, radioactive decay of the species, and sorption on the pore wall. Two covariance functions of groundwater velocity, retardation factor, and concentration are derived to incorporate the geologic parameter uncertainty in porous media of small medium dispersivity. The parametric studies show that the correlation length of groundwater velocity has significant influence on the migration behavior of radionuclide. Macro dispersivity is dominantly affected by the fluctuation of groundwater velocity, while the fluctuation of retardation factor has a considerable effect on the retarded stochastic velocity. The upper estimated concentration evaluated from this stochastic moments analysis can be used as a practical conservative value for the performance assessment of nuclear waste repository

  17. Radiative Heat Transfer Modeling in Fibrous Porous Media

    Science.gov (United States)

    Sobhani, Sadaf; Panerai, Francesco; Borner, Arnaud; Ferguson, Joseph C.; Wray, Alan; Mansour, Nagi N.

    2017-01-01

    Phenolic-Impregnated Carbon Ablator (PICA) was developed at NASA Ames Research Center as a lightweight thermal protection system material for successful atmospheric entries. The objective of the current work is to compute the effective radiative conductivity of fibrous porous media, such as preforms used to make PICA, to enable the efficient design of materials that can meet the thermal performance goals of forthcoming space exploration missions.

  18. Modeling approaches to natural convection in porous media

    CERN Document Server

    Su, Yan

    2015-01-01

    This book provides an overview of the field of flow and heat transfer in porous medium and focuses on presentation of a generalized approach to predict drag and convective heat transfer within porous medium of arbitrary microscopic geometry, including reticulated foams and packed beds. Practical numerical methods to solve natural convection problems in porous media will be presented with illustrative applications for filtrations, thermal storage and solar receivers.

  19. Choking flow modeling with mechanical and thermal non-equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, H.J.; Ishii, M.; Revankar, S.T. [School of Nuclear Engineering, Purdue University, West Lafayette, IN 47907 (United States)

    2006-01-15

    The mechanistic model, which considers the mechanical and thermal non-equilibrium, is described for two-phase choking flow. The choking mass flux is obtained from the momentum equation with the definition of choking. The key parameter for the mechanical non-equilibrium is a slip ratio. The dependent parameters for the slip ratio are identified. In this research, the slip ratio which is defined in the drift flux model is used to identify the impact parameters on the slip ratio. Because the slip ratio in the drift flux model is related to the distribution parameter and drift velocity, the adequate correlations depending on the flow regime are introduced in this study. For the thermal non-equilibrium, the model is developed with bubble conduction time and Bernoulli choking model. In case of highly subcooled water compared to the inlet pressure, the Bernoulli choking model using the pressure undershoot is used because there is no bubble generation in the test section. When the phase change happens inside the test section, two-phase choking model with relaxation time calculates the choking mass flux. According to the comparison of model prediction with experimental data shows good agreement. The developed model shows good prediction in both low and high pressure ranges. (author)

  20. Computational fluid dynamics (CFD) using porous media modeling predicts recurrence after coiling of cerebral aneurysms.

    Science.gov (United States)

    Umeda, Yasuyuki; Ishida, Fujimaro; Tsuji, Masanori; Furukawa, Kazuhiro; Shiba, Masato; Yasuda, Ryuta; Toma, Naoki; Sakaida, Hiroshi; Suzuki, Hidenori

    2017-01-01

    This study aimed to predict recurrence after coil embolization of unruptured cerebral aneurysms with computational fluid dynamics (CFD) using porous media modeling (porous media CFD). A total of 37 unruptured cerebral aneurysms treated with coiling were analyzed using follow-up angiograms, simulated CFD prior to coiling (control CFD), and porous media CFD. Coiled aneurysms were classified into stable or recurrence groups according to follow-up angiogram findings. Morphological parameters, coil packing density, and hemodynamic variables were evaluated for their correlations with aneurysmal recurrence. We also calculated residual flow volumes (RFVs), a novel hemodynamic parameter used to quantify the residual aneurysm volume after simulated coiling, which has a mean fluid domain > 1.0 cm/s. Follow-up angiograms showed 24 aneurysms in the stable group and 13 in the recurrence group. Mann-Whitney U test demonstrated that maximum size, dome volume, neck width, neck area, and coil packing density were significantly different between the two groups (P CFD and larger RFVs in the porous media CFD. Multivariate logistic regression analyses demonstrated that RFV was the only independently significant factor (odds ratio, 1.06; 95% confidence interval, 1.01-1.11; P = 0.016). The study findings suggest that RFV collected under porous media modeling predicts the recurrence of coiled aneurysms.

  1. A New Appraoch to Modeling Immiscible Two-phase Flow in Porous Media

    DEFF Research Database (Denmark)

    Yuan, Hao; Shapiro, Alexander; Stenby, Erling Halfdan

    In this work we present a systematic literature review regarding the macroscopic approaches to modeling immiscible two-phase flow in porous media, the formulation process of the incorporate PDE based on Film Model(viscous coupling), the calculation of saturation profile around the transition zone...... to modeling immiscible two-phase flow in porous media. The suggested approach to immiscible two-phase flow in porous media describes the dispersed mesoscopic fluids’ interfaces which are highly influenced by the injected interfacial energy and the local interfacial energy capacity. It reveals a new...... possibility of modeling two-phase flow through energy balance. The saturation profile generated through the suggested approach is different from those through other approaches....

  2. Modeled effects on permittivity measurements of water content in high surface area porous media

    International Nuclear Information System (INIS)

    Jones, S.B.; Or, Dani

    2003-01-01

    Time domain reflectometry (TDR) has become an important measurement technique for determination of porous media water content and electrical conductivity due to its accuracy, fast response and automation capability. Water content is inferred from the measured bulk dielectric constant based on travel time analysis along simple transmission lines. TDR measurements in low surface area porous media accurately describe water content using an empirical relationship. Measurement discrepancies arise from dominating influences such as bound water due to high surface area, extreme aspect ratio particles or atypical water phase configuration. Our objectives were to highlight primary factors affecting dielectric permittivity measurements for water content determination in porous mixtures, and demonstrate the influence of these factors on mixture permittivity as predicted by a three-phase dielectric mixture model. Modeled results considering water binding, higher porosity, constituent geometry or phase configuration suggest any of these effects individually are capable of causing permittivity reduction, though all likely contribute in high surface area porous media

  3. Non-equilibrium Quasi-Chemical Nucleation Model

    Science.gov (United States)

    Gorbachev, Yuriy E.

    2018-04-01

    Quasi-chemical model, which is widely used for nucleation description, is revised on the basis of recent results in studying of non-equilibrium effects in reacting gas mixtures (Kolesnichenko and Gorbachev in Appl Math Model 34:3778-3790, 2010; Shock Waves 23:635-648, 2013; Shock Waves 27:333-374, 2017). Non-equilibrium effects in chemical reactions are caused by the chemical reactions themselves and therefore these contributions should be taken into account in the corresponding expressions for reaction rates. Corrections to quasi-equilibrium reaction rates are of two types: (a) spatially homogeneous (caused by physical-chemical processes) and (b) spatially inhomogeneous (caused by gas expansion/compression processes and proportional to the velocity divergency). Both of these processes play an important role during the nucleation and are included into the proposed model. The method developed for solving the generalized Boltzmann equation for chemically reactive gases is applied for solving the set of equations of the revised quasi-chemical model. It is shown that non-equilibrium processes lead to essential deviation of the quasi-stationary distribution and therefore the nucleation rate from its traditional form.

  4. Non-Equilibrium Modeling of Inductively Coupled RF Plasmas

    Science.gov (United States)

    2015-01-01

    wall can be approximated with the expression for an infinite solenoid , B(r = R) = µ0NIc, where quan- tities N and Ic are the number of turns per unit...Modeling of non-equilibrium plasmas in an induc- tively coupled plasma facility. AIAA Paper 2014– 2235, 2014. 45th AIAA Plasmadynamics and Lasers ...1993. 24th Plas- madynamics and Laser Conference, Orlando, FL. [22] M. Capitelli, I. Armenise, D. Bruno, M. Caccia- tore, R. Celiberto, G. Colonna, O

  5. Geometric and Hydrodynamic Characteristics of Three-dimensional Saturated Prefractal Porous Media Determined with Lattice Boltzmann Modeling

    Science.gov (United States)

    Fractal and prefractal geometric models have substantial potential of contributing to the analysis of flow and transport in porous media such as soils and reservoir rocks. In this study, geometric and hydrodynamic parameters of saturated 3D mass and pore-solid prefractal porous media were characteri...

  6. Modelling solute dispersion in periodic heterogeneous porous media: Model benchmarking against intermediate scale experiments

    Science.gov (United States)

    Majdalani, Samer; Guinot, Vincent; Delenne, Carole; Gebran, Hicham

    2018-06-01

    This paper is devoted to theoretical and experimental investigations of solute dispersion in heterogeneous porous media. Dispersion in heterogenous porous media has been reported to be scale-dependent, a likely indication that the proposed dispersion models are incompletely formulated. A high quality experimental data set of breakthrough curves in periodic model heterogeneous porous media is presented. In contrast with most previously published experiments, the present experiments involve numerous replicates. This allows the statistical variability of experimental data to be accounted for. Several models are benchmarked against the data set: the Fickian-based advection-dispersion, mobile-immobile, multirate, multiple region advection dispersion models, and a newly proposed transport model based on pure advection. A salient property of the latter model is that its solutions exhibit a ballistic behaviour for small times, while tending to the Fickian behaviour for large time scales. Model performance is assessed using a novel objective function accounting for the statistical variability of the experimental data set, while putting equal emphasis on both small and large time scale behaviours. Besides being as accurate as the other models, the new purely advective model has the advantages that (i) it does not exhibit the undesirable effects associated with the usual Fickian operator (namely the infinite solute front propagation speed), and (ii) it allows dispersive transport to be simulated on every heterogeneity scale using scale-independent parameters.

  7. Calibrating the Shan-Chen lattice Boltzmann model for immiscible displacement in porous media

    DEFF Research Database (Denmark)

    Christensen, Britt Stenhøj Baun; Schaap, M.G.; Wildenschild, D.

    2006-01-01

    The lattice Boltzmann (LB) modeling technique is increasingly being applied in a variety of fields where computational fluid dynamics are investigated. In our field of interest, environmentally related flow processes in porous media, the use of the LB method is still not common. For the LB...

  8. Pore network modeling of drainage process in patterned porous media: a quasi-static study

    KAUST Repository

    Zhang, Tao; Salama, Amgad; Sun, Shuyu; El-Amin, Mohamed

    2015-01-01

    -saturation relationships, it is quite challenging to isolate its effects explicitly in real porous media applications. However, within the framework of pore network models, it is easy to highlight the effects of wettability conditions on the transport of two-phase systems

  9. Laboratory Experiments and Modeling of Pooled NAPL Dissolution in Porous Media

    Science.gov (United States)

    Copty, N. K.; Sarikurt, D. A.; Gokdemir, C.

    2017-12-01

    The dissolution of non-aqueous phase liquids (NAPLs) entrapped in porous media is commonly modeled at the continuum scale as the product of a chemical potential and an interphase mass transfer coefficient, the latter expressed in terms of Sherwood correlations that are related to flow and porous media properties. Because of the lack of precise estimates of the interface area separating the NAPL and aqueous phase, numerous studies have lumped the interfacial area into the interphase mass transfer coefficient. In this paper controlled dissolution experiments from a pooled NAPL were conducted. The immobile NAPL mass is placed at the bottom of a flow cell filled with porous media with water flowing on top. Effluent aqueous phase concentrations were measured for a wide range of aqueous phase velocities and for two types of porous media. To interpret the experimental results, a two-dimensional pore network model of the NAPL dissolution was developed. The well-defined geometry of the NAPL-water interface and the observed effluent concentrations were used to compute best-fit mass transfer coefficients and non-lumped Sherwood correlations. Comparing the concentrations predicted with the pore network model to simple previously used one-dimensional analytic solutions indicates that the analytic model which ignores the transverse dispersion can lead to over-estimation of the mass transfer coefficient. The predicted Sherwood correlations are also compared to previously published data and implications on NAPL remediation strategies are discussed.

  10. Uniqueness of specific interfacial area-capillary pressure-saturation relationship under non-equilibrium conditions in two-phase porous media flow

    NARCIS (Netherlands)

    Joekar-Niasar, V.; Hassanizadeh, S.M.

    2012-01-01

    The capillary pressure–saturation (P c–S w) relationship is one of the central constitutive relationships used in two-phase flow simulations. There are two major concerns regarding this relation. These concerns are partially studied in a hypothetical porous medium using a dynamic pore-network model

  11. Stochastic porous media equations

    CERN Document Server

    Barbu, Viorel; Röckner, Michael

    2016-01-01

    Focusing on stochastic porous media equations, this book places an emphasis on existence theorems, asymptotic behavior and ergodic properties of the associated transition semigroup. Stochastic perturbations of the porous media equation have reviously been considered by physicists, but rigorous mathematical existence results have only recently been found. The porous media equation models a number of different physical phenomena, including the flow of an ideal gas and the diffusion of a compressible fluid through porous media, and also thermal propagation in plasma and plasma radiation. Another important application is to a model of the standard self-organized criticality process, called the "sand-pile model" or the "Bak-Tang-Wiesenfeld model". The book will be of interest to PhD students and researchers in mathematics, physics and biology.

  12. Model of opacity and emissivity of non-equilibrium plasma

    International Nuclear Information System (INIS)

    Politov V Y

    2008-01-01

    In this work the model describing absorption and emission properties of the non-equilibrium plasma is presented. It is based on the kinetics equations for populations of the ground, singly and doubly excited states of multi-charged ions. After solving these equations, the states populations together with the spectroscopic data, supplied in the special database for a lot ionization stages, are used for building the spectral distributions of plasma opacity and emissivity in STA approximation. Results of kinetics simulation are performed for such important X-ray converter as gold, which is investigated intensively in ICF-experiments

  13. Homogeneous non-equilibrium two-phase critical flow model

    International Nuclear Information System (INIS)

    Schroeder, J.J.; Vuxuan, N.

    1987-01-01

    An important aspect of nuclear and chemical reactor safety is the ability to predict the maximum or critical mass flow rate from a break or leak in a pipe system. At the beginning of such a blowdown, if the stagnation condition of the fluid is subcooled or slightly saturated thermodynamic non-equilibrium exists in the downstream, e.g. the fluid becomes superheated to a degree determined by the liquid pressure. A simplified non-equilibrium model, explained in this report, is valid for rapidly decreasing pressure along the flow path. It presumes that fluid has to be superheated by an amount governed by physical principles before it starts to flash into steam. The flow is assumed to be homogeneous, i.e. the steam and liquid velocities are equal. An adiabatic flow calculation mode (Fanno lines) is employed to evaluate the critical flow rate for long pipes. The model is found to satisfactorily describe critical flow tests. Good agreement is obtained with the large scale Marviken tests as well as with small scale experiments. (orig.)

  14. An efficient hydro-mechanical model for coupled multi-porosity and discrete fracture porous media

    Science.gov (United States)

    Yan, Xia; Huang, Zhaoqin; Yao, Jun; Li, Yang; Fan, Dongyan; Zhang, Kai

    2018-02-01

    In this paper, a numerical model is developed for coupled analysis of deforming fractured porous media with multiscale fractures. In this model, the macro-fractures are modeled explicitly by the embedded discrete fracture model, and the supporting effects of fluid and fillings in these fractures are represented explicitly in the geomechanics model. On the other hand, matrix and micro-fractures are modeled by a multi-porosity model, which aims to accurately describe the transient matrix-fracture fluid exchange process. A stabilized extended finite element method scheme is developed based on the polynomial pressure projection technique to address the displacement oscillation along macro-fracture boundaries. After that, the mixed space discretization and modified fixed stress sequential implicit methods based on non-matching grids are applied to solve the coupling model. Finally, we demonstrate the accuracy and application of the proposed method to capture the coupled hydro-mechanical impacts of multiscale fractures on fractured porous media.

  15. POD-Galerkin Model for Incompressible Single-Phase Flow in Porous Media

    KAUST Repository

    Wang, Yi

    2017-01-25

    Fast prediction modeling via proper orthogonal decomposition method combined with Galerkin projection is applied to incompressible single-phase fluid flow in porous media. Cases for different configurations of porous media, boundary conditions and problem scales are designed to examine the fidelity and robustness of the model. High precision (relative deviation 1.0 x 10(-4)% similar to 2.3 x 10(-1)%) and large acceleration (speed-up 880 similar to 98454 times) of POD model are found in these cases. Moreover, the computational time of POD model is quite insensitive to the complexity of problems. These results indicate POD model is especially suitable for large-scale complex problems in engineering.

  16. Cellular-automation fluids: A model for flow in porous media

    International Nuclear Information System (INIS)

    Rothman, D.H.

    1987-01-01

    Because the intrinsic inhomogeneity of porous media makes the application of proper boundary conditions difficult, fluid flow through microgeometric models has typically been achieved with idealized arrays of geometrically simple pores, throats, and cracks. The author proposes here an attractive alternative, capable of freely and accurately modeling fluid flow in grossly irregular geometries. This new method numerically solves the Navier-Stokes equations using the cellular-automation fluid model introduced by Frisch, Hasslacher, and Pomeau. The cellular-automation fluid is extraordinarily simple - particles of unit mass traveling with unit velocity reside on a triangular lattice and obey elementary collisions rules - but capable of modeling much of the rich complexity of real fluid flow. The author shows how cellular-automation fluids are applied to the study of porous media. In particular, he discusses issues of scale on the cellular-automation lattice and present the results of 2-D simulations, including numerical estimation of permeability and verification of Darcy's law

  17. Modeling Inflation Using a Non-Equilibrium Equation of Exchange

    Science.gov (United States)

    Chamberlain, Robert G.

    2013-01-01

    Inflation is a change in the prices of goods that takes place without changes in the actual values of those goods. The Equation of Exchange, formulated clearly in a seminal paper by Irving Fisher in 1911, establishes an equilibrium relationship between the price index P (also known as "inflation"), the economy's aggregate output Q (also known as "the real gross domestic product"), the amount of money available for spending M (also known as "the money supply"), and the rate at which money is reused V (also known as "the velocity of circulation of money"). This paper offers first a qualitative discussion of what can cause these factors to change and how those causes might be controlled, then develops a quantitative model of inflation based on a non-equilibrium version of the Equation of Exchange. Causal relationships are different from equations in that the effects of changes in the causal variables take time to play out-often significant amounts of time. In the model described here, wages track prices, but only after a distributed lag. Prices change whenever the money supply, aggregate output, or the velocity of circulation of money change, but only after a distributed lag. Similarly, the money supply depends on the supplies of domestic and foreign money, which depend on the monetary base and a variety of foreign transactions, respectively. The spreading of delays mitigates the shocks of sudden changes to important inputs, but the most important aspect of this model is that delays, which often have dramatic consequences in dynamic systems, are explicitly incorporated.macroeconomics, inflation, equation of exchange, non-equilibrium, Athena Project

  18. Numerical modeling of contaminant transport in fractured porous media using mixed finite-element and finitevolume methods

    KAUST Repository

    Dong, Chen; Sun, Shuyu; Taylor, Glenn A.

    2011-01-01

    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., the mixed finite-element (MFE) method and the finite-volume method. Adaptive

  19. Modelling turbulence around and inside porous media based on the second moment closure

    International Nuclear Information System (INIS)

    Kuwata, Yusuke; Suga, Kazuhiko

    2013-01-01

    Highlights: • A novel turbulence model for flows in porous media is proposed. • Three stress tensors emerging in double averaging N–S are individually modelled. • The most advanced second moment closure is applied for the macro-scale stress. • A one equation and the Smagorinsky models are applied to the other stresses. • Promising results are obtained in test flows around and inside porous media. -- Abstract: To predict turbulence in porous media, a new approach is discussed. By double (both volume and Reynolds) averaging Navier–Stokes equations, there appear three unknown covariant terms in the momentum equation. They are namely the dispersive covariance, the macro-scale and the micro-scale Reynolds stresses, in the present study. For the macro-scale Reynolds stress, the TCL (two-component-limit) second moment closure is applied whereas the eddy viscosity models are applied to the other covariant terms: the Smagorinsky model and the one-equation eddy viscosity model, respectively for the dispersive covariance and the micro-scale Reynolds stress. The presently proposed model is evaluated in square rib array flows and porous wall channel flows with reasonable accuracy though further development is required

  20. Chaotic convective behavior and stability analysis of a fractional viscoelastic fluids model in porous media

    KAUST Repository

    N'Doye, Ibrahima

    2015-05-25

    In this paper, a dynamical fractional viscoelastic fluids convection model in porous media is proposed and its chaotic behavior is studied. A preformed equilibrium points analysis indicates the conditions where chaotic dynamics can be observed, and show the existence of chaos. The behavior and stability analysis of the integer-order and the fractional commensurate and non-commensurate orders of a fractional viscoelastic fluids system, which exhibits chaos, are presented as well.

  1. A new model for the spectral induced polarization signature of bacterial growth in porous media

    Science.gov (United States)

    Zhang, C.; Revil, A.; Atekwana, E. A.; Jardani, A.; Smith, S.

    2012-12-01

    Recent biogeophysics studies demonstrated the sensitivity of complex conductivity to bacterial growth and microbial mediated mineral transformations in porous media. Frequency-domain induced polarization is a minimally invasive manner to measure the complex conductivity of a material over a broad range of frequencies. The real component of complex conductivity is associated with electromigration of the charge carriers, and the imaginary component represents reversible energy storage of charge carriers at polarization length scales. Quantitative relationship between frequency-domain induced polarization responses and bacterial growth and decay in porous media is analyzed in this study using a new developed model. We focus on the direct contribution of bacteria themselves to the complex conductivity in porous media in the absence of biomineralization. At low frequencies, the induced polarization of bacteria (α-polarization) is related to the properties of the electrical double layer surrounding the membrane surface of bacteria. Surface conductivity and α-polarization are due to the Stern layer of the counterions occurring in a brush of polymers coating the surface of the bacteria, and can be related to the cation exchange capacity of the bacteria. From the modeling results, at low frequencies (model with reactive transport modeling in which the evolution of bacterial populations are usually described by Monod kinetics, we show that the changes in imaginary conductivity with time can be used to determine bacterial growth kinetics parameters such as the growth and endogenous decay coefficient.

  2. Multiscale modeling of high contrast brinkman equations with applications to deformable porous media

    KAUST Repository

    Brown, Donald

    2013-06-18

    Simulating porous media flows has a wide range of applications. Often, these applications involve many scales and multi-physical processes. A useful tool in the analysis of such problems in that of homogenization as an averaged description is derived circumventing the need for complicated simulation of the fine scale features. In this work, we recall recent developments of homogenization techniques in the application of flows in deformable porous media. In addition, homogenization of media with high-contrast. In particular, we recall the main ideas of the homogenization of slowly varying Stokes flow and summarize the results of [4]. We also present the ideas for extending these techniques to high-contrast deformable media [3]. These ideas are connected by the modeling of multiscale fluid-structure interaction problems. © 2013 American Society of Civil Engineers.

  3. Thermal conductivity of granular porous media: A pore scale modeling approach

    Directory of Open Access Journals (Sweden)

    R. Askari

    2015-09-01

    Full Text Available Pore scale modeling method has been widely used in the petrophysical studies to estimate macroscopic properties (e.g. porosity, permeability, and electrical resistivity of porous media with respect to their micro structures. Although there is a sumptuous literature about the application of the method to study flow in porous media, there are fewer studies regarding its application to thermal conduction characterization, and the estimation of effective thermal conductivity, which is a salient parameter in many engineering surveys (e.g. geothermal resources and heavy oil recovery. By considering thermal contact resistance, we demonstrate the robustness of the method for predicting the effective thermal conductivity. According to our results obtained from Utah oil sand samples simulations, the simulation of thermal contact resistance is pivotal to grant reliable estimates of effective thermal conductivity. Our estimated effective thermal conductivities exhibit a better compatibility with the experimental data in companion with some famous experimental and analytical equations for the calculation of the effective thermal conductivity. In addition, we reconstruct a porous medium for an Alberta oil sand sample. By increasing roughness, we observe the effect of thermal contact resistance in the decrease of the effective thermal conductivity. However, the roughness effect becomes more noticeable when there is a higher thermal conductivity of solid to fluid ratio. Moreover, by considering the thermal resistance in porous media with different grains sizes, we find that the effective thermal conductivity augments with increased grain size. Our observation is in a reasonable accordance with experimental results. This demonstrates the usefulness of our modeling approach for further computational studies of heat transfer in porous media.

  4. Non-Equilibrium Turbulence and Two-Equation Modeling

    Science.gov (United States)

    Rubinstein, Robert

    2011-01-01

    Two-equation turbulence models are analyzed from the perspective of spectral closure theories. Kolmogorov theory provides useful information for models, but it is limited to equilibrium conditions in which the energy spectrum has relaxed to a steady state consistent with the forcing at large scales; it does not describe transient evolution between such states. Transient evolution is necessarily through nonequilibrium states, which can only be found from a theory of turbulence evolution, such as one provided by a spectral closure. When the departure from equilibrium is small, perturbation theory can be used to approximate the evolution by a two-equation model. The perturbation theory also gives explicit conditions under which this model can be valid, and when it will fail. Implications of the non-equilibrium corrections for the classic Tennekes-Lumley balance in the dissipation rate equation are drawn: it is possible to establish both the cancellation of the leading order Re1/2 divergent contributions to vortex stretching and enstrophy destruction, and the existence of a nonzero difference which is finite in the limit of infinite Reynolds number.

  5. A non-equilibrium neutral model for analysing cultural change.

    Science.gov (United States)

    Kandler, Anne; Shennan, Stephen

    2013-08-07

    Neutral evolution is a frequently used model to analyse changes in frequencies of cultural variants over time. Variants are chosen to be copied according to their relative frequency and new variants are introduced by a process of random mutation. Here we present a non-equilibrium neutral model which accounts for temporally varying population sizes and mutation rates and makes it possible to analyse the cultural system under consideration at any point in time. This framework gives an indication whether observed changes in the frequency distributions of a set of cultural variants between two time points are consistent with the random copying hypothesis. We find that the likelihood of the existence of the observed assemblage at the end of the considered time period (expressed by the probability of the observed number of cultural variants present in the population during the whole period under neutral evolution) is a powerful indicator of departures from neutrality. Further, we study the effects of frequency-dependent selection on the evolutionary trajectories and present a case study of change in the decoration of pottery in early Neolithic Central Europe. Based on the framework developed we show that neutral evolution is not an adequate description of the observed changes in frequency. Copyright © 2013 Elsevier Ltd. All rights reserved.

  6. Boiling in porous media

    International Nuclear Information System (INIS)

    1998-01-01

    This conference day of the French society of thermal engineers was devoted to the analysis of heat transfers and fluid flows during boiling phenomena in porous media. This book of proceedings comprises 8 communications entitled: 'boiling in porous medium: effect of natural convection in the liquid zone'; 'numerical modeling of boiling in porous media using a 'dual-fluid' approach: asymmetrical characteristic of the phenomenon'; 'boiling during fluid flow in an induction heated porous column'; 'cooling of corium fragment beds during a severe accident. State of the art and the SILFIDE experimental project'; 'state of knowledge about the cooling of a particulates bed during a reactor accident'; 'mass transfer analysis inside a concrete slab during fire resistance tests'; 'heat transfers and boiling in porous media. Experimental analysis and modeling'; 'concrete in accidental situation - influence of boundary conditions (thermal, hydric) - case studies'. (J.S.)

  7. New Non-Stationary Gradient Model of Heat-Mass-Electric Charge Transfer in Thin Porous Media

    Directory of Open Access Journals (Sweden)

    V. Rogankov

    2017-10-01

    Full Text Available The well-known complicated system of non-equilibrium balance equations for a continuous fluid (f medium needs the new non-Gibbsian model of f-phase to be applicable for description of the heterogeneous porous media (PMs. It should be supplemented by the respective coupled thermal and caloric equations of state (EOS developed specially for PMs to become adequate and solvable for the irreversible transport f-processes. The set of standard assumptions adopted by the linear (or quasi-linear non-equilibrium thermodynamics are based on the empirical gradient-caused correlations between flows and forces. It leads, in particular, to the oversimplified stationary solutions for PMs. The most questionable but typical modeling suppositions of the stationary gradient (SG theory are: 1 the assumption of incompressibility accepted, as a rule, for f-flows; 2 the ignorance of distinctions between the hydrophilic and hydrophobic influence of a porous matrix on the properties; 3 the omission of effects arising due to the concomitant phase intra-porous transitions between the neighboring f-fragments with the sharp differences in densities; 4 the use of exclusively Gibbsian (i.e. homogeneous and everywhere differentiable description of any f-phase in PM; 5 the very restrictive reduction of the mechanical velocity field to its specific potential form in the balance equation of f-motion as well as of the heat velocity field in the balance equation of internal energy; 6 the neglect of the new specific peculiarities arising due to the study of any non-equilibrium PM in the meso- and nano-scales of a finite-size macroscopic (N,V-system of discrete particles. This work is an attempt to develop the alternative non-stationary gradient (NSG model of real irreversible processes in PM. Another aim is to apply it without the above restrictions 1-6 to the description of f-flows through the obviously non-Gibbsian thin porous medium (TPM. We will suppose that it is composed by two

  8. Toward a comprehensive model of chemical transport in porous media

    International Nuclear Information System (INIS)

    Miller, C.W.

    1983-02-01

    A chemical transport model, CHEMTRN, that includes advection, dispersion/diffusion, complexation, sorption, precipitation or dissolution of solids, and the dissociation of water has been written. The transport, mass action and site constraint equations are written in a differential/algebraic form and solved simultaneously. The sorption process is modelled by either ion-exchange or surface complexation. The model has been used to investigate the applicability of a k/sub D/ model for simulating the transport of chemical species in groundwater systems, to simulate precipitation/dissolution of minerals, and to consider the effect of surface complexation on sorption

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

    DEFF Research Database (Denmark)

    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....

  10. Pore-scale modeling of phase change in porous media

    Science.gov (United States)

    Juanes, Ruben; Cueto-Felgueroso, Luis; Fu, Xiaojing

    2017-11-01

    One of the main open challenges in pore-scale modeling is the direct simulation of flows involving multicomponent mixtures with complex phase behavior. Reservoir fluid mixtures are often described through cubic equations of state, which makes diffuse interface, or phase field theories, particularly appealing as a modeling framework. What is still unclear is whether equation-of-state-driven diffuse-interface models can adequately describe processes where surface tension and wetting phenomena play an important role. Here we present a diffuse interface model of single-component, two-phase flow (a van der Waals fluid) in a porous medium under different wetting conditions. We propose a simplified Darcy-Korteweg model that is appropriate to describe flow in a Hele-Shaw cell or a micromodel, with a gap-averaged velocity. We study the ability of the diffuse-interface model to capture capillary pressure and the dynamics of vaporization/condensation fronts, and show that the model reproduces pressure fluctuations that emerge from abrupt interface displacements (Haines jumps) and from the break-up of wetting films.

  11. Modelling Pressurized Water Reactor cores in terms of porous media

    International Nuclear Information System (INIS)

    Ricciardi, G.; Collard, B.; Ricciardi, G.; Bellizzi, S.; Cochelin, B.

    2009-01-01

    The aim of this study is to develop a tractable model of a nuclear reactor core taking the complexity of the structure (including its nonlinear behaviour) and fluid flow coupling into account. The mechanical behaviour modelling includes the dynamics of both the fuel assemblies and the fluid. Each rod bundle is modelled in the form of a deformable porous medium; then, the velocity field of the fluid and the displacement field of the structure are defined over the whole domain. The fluid and the structure are first modelled separately, before being linked together. The equations of motion for the structure are obtained using a Lagrangian approach and, to be able to link up the fluid and the structure, the equations of motion for the fluid are obtained using an arbitrary Lagrangian Eulerian approach. The finite element method is applied to spatially discretize the equations. Simulations are performed to analyse the effects of the characteristics of the fluid and of the structure. Finally, the model is validated with a test involving two fuel assemblies, showing good agreement with the experimental data. (authors)

  12. Slug flow model for infiltration into fractured porous media

    International Nuclear Information System (INIS)

    Martinez, M.J.

    1999-01-01

    A model for transient infiltration into a periodically fractured porous layer is presented. The fracture is treated as a permeable-walled slot and the moisture distribution is in the form of a slug being an advancing meniscus. The wicking of moisture from the fracture to the unsaturated porous matrix is a nonlinear diffusion process and is approximately by self-similar solutions. The resulting model is a nonlinear Volterra integral equation with a weakly singular kernel. Numerical analysis provides solutions over a wide range of the parameter space and reveals the asymptotic forms of the penetration of this slug in terms of dimensionless variables arising in the model. The numerical solutions corroborate asymptotic results given earlier by Nitao and Buscheck (1991), and by Martinez (1988). Some implications for the transport of liquid in fractured rock are discussed

  13. Models for seismic wave propagation in periodically layered porous media

    NARCIS (Netherlands)

    Kudarova, A.; Van Dalen, K.N.; Drijkoningen, G.G.

    2014-01-01

    Several models are discussed for seismic wave propagation in periodically layered poroelastic media where layers represent mesoscopic-scale heterogeneities that are larger than the pore and grain sizes but smaller than the wavelength. The layers behave according to Biot’s theory. Wave propagation

  14. Isogeometric analysis of a multiphase porous media model for concrete

    NARCIS (Netherlands)

    Remij, E.W.; Pesavento, F.; Bazilevs, Y.; Smeulders, D.M.J.; Schrefler, B.A.; Huyghe, J.M.

    2018-01-01

    This paper presents isogeometric analysis of a hygro-thermo-chemo-mechanical concrete model at early age and beyond. Balance equations are introduced at the microscale and averaged to obtain balance equations at the macroscale. Constitutive laws are then applied directly at the macroscale. The final

  15. Modeling Residual NAPL in Water-Wet Porous Media

    Directory of Open Access Journals (Sweden)

    R.J. Lenhard

    2002-06-01

    Full Text Available A model is outlined that predicts NAPL which is held in pore wedges and as films or lenses on solid and water surfaces and contributes negligibly to NAPL advection. This is conceptually referred to as residual NAPL. Since residual NAPL is immobile, it remains in the vadose zone after all free NAPL has drained. Residual NAPL is very important because it is a long-term source for groundwater contamination. Recent laboratory experiments have demonstrated that current models for predicting subsurface NAPL behavior are inadequate because they do not correctly predict residual NAPL. The main reason for the failure is a deficiency in the current constitutive theories for multiphase flow that are used in numerical simulators. Multiphase constitutive theory governs the relations among relative permeability, saturation, and pressure for fluid systems (i.e., air, NAPL, water. In this paper, we outline a model describing relations between fluid saturations and pressures that can be combined with existing multiphase constitutive theory to predict residual NAPL. We test the revised constitutive theory by applying it to a scenario involving NAPL imbibition and drainage, as well as water imbibition and drainage. The results suggest that the revised constitutive theory is able to predict the distribution of residual NAPL in the vadose zone as a function of saturation-path history. The revised model describing relations between fluid saturation and pressures will help toward developing or improving numerical multiphase flow simulators.

  16. Modelling bioaugmentation in unsaturated porous media: The linuron herbicide example

    DEFF Research Database (Denmark)

    Owsianiak, Mikolaj; Dechesne, Arnaud; Binning, Philip John

    2010-01-01

    To protect groundwater resources against pesticides, bioaugmentation with microorganisms immobilized in solid carriers has been considered as a soil remediation strategy. We have developed a mathematical model to assess this bioremediation approach to remove the pesticide linuron from soils...... advection, a bead spacing distance of 5 mm at saturated conditions is required to achieve a bioremediation goal of 90% linuron mineralization in 1 year. The gas phase is an important parameter affecting the transport of linuron, however, linuron biodegradation is growth kinetics limited within a broad water...

  17. Modeling contaminant transport in porous media in relation to nuclear-waste disposal: a review

    International Nuclear Information System (INIS)

    Grove, D.B.; Kipp, K.L.

    1980-01-01

    The modeling of solute transport in saturated porous media is reviewed as it is applied to the movement of radioactive waste in the subsurface. Those processes, both physical and chemical, that affect radionuclide movement are discussed and the references that best illustrate these processes listed. Movement is separated into convection, convection-dispersion, and convection-dispersion and chemical reactions. Solutions of equations describing such movement are divided into one-, two-, and three-dimensional analytical and numerical examples. Discussions of recent work in the area of stochastic modeling are followed by discussions of applications of the models to selected field sites

  18. Multiphasic fluid models and multicomponents reactive transport in porous media

    International Nuclear Information System (INIS)

    Juncosa, R.

    2001-01-01

    The design and construction of repositories for toxic waste, such as radioactive waste of medium and high activity, require tools, that will enable us to predict how the system will behave. The rational behind this Dissertation is based precisely on developing numerical models to study and predict coupled thermal, mechanical, hydrodynamic and geochemical behavior of clays intended to be used as engineered barriers in radioactive waste repository. In order to meet the requirements of the FEBEX Project (Full Scale Engineered Barriers Experiment) it was necessary to develop thermo-hydro-geochemical conceptual and numerical models (THG). For this purpose a THG code was developed to simulate and predict the THG behavior of the clay barrier. The code was created after considering two options. a) The development of a completely new code, or b) the coupling of existing codes. In this Dissertation we chose the second option, and developed a new program (FADES-CORE), which was obtained by using the FADES thermo-hydro-mechanical code (Navarro, 1997) and the CORE-LE code (Samper et al., 1998). This process entailed the modification of FADES, the addition of new subroutines for the calculation of solute transport, the modification of CORE-LE and the introduction of additional geochemical and transport processes. (Author)

  19. A scalable variational inequality approach for flow through porous media models with pressure-dependent viscosity

    Science.gov (United States)

    Mapakshi, N. K.; Chang, J.; Nakshatrala, K. B.

    2018-04-01

    Mathematical models for flow through porous media typically enjoy the so-called maximum principles, which place bounds on the pressure field. It is highly desirable to preserve these bounds on the pressure field in predictive numerical simulations, that is, one needs to satisfy discrete maximum principles (DMP). Unfortunately, many of the existing formulations for flow through porous media models do not satisfy DMP. This paper presents a robust, scalable numerical formulation based on variational inequalities (VI), to model non-linear flows through heterogeneous, anisotropic porous media without violating DMP. VI is an optimization technique that places bounds on the numerical solutions of partial differential equations. To crystallize the ideas, a modification to Darcy equations by taking into account pressure-dependent viscosity will be discretized using the lowest-order Raviart-Thomas (RT0) and Variational Multi-scale (VMS) finite element formulations. It will be shown that these formulations violate DMP, and, in fact, these violations increase with an increase in anisotropy. It will be shown that the proposed VI-based formulation provides a viable route to enforce DMP. Moreover, it will be shown that the proposed formulation is scalable, and can work with any numerical discretization and weak form. A series of numerical benchmark problems are solved to demonstrate the effects of heterogeneity, anisotropy and non-linearity on DMP violations under the two chosen formulations (RT0 and VMS), and that of non-linearity on solver convergence for the proposed VI-based formulation. Parallel scalability on modern computational platforms will be illustrated through strong-scaling studies, which will prove the efficiency of the proposed formulation in a parallel setting. Algorithmic scalability as the problem size is scaled up will be demonstrated through novel static-scaling studies. The performed static-scaling studies can serve as a guide for users to be able to select

  20. Modelling multiphase flow inside the porous media of a polymer electrolyte membrane fuel cell

    DEFF Research Database (Denmark)

    Berning, Torsten; Kær, Søren Knudsen

    2011-01-01

    Transport processes inside polymer electrolyte membrane fuel cells (PEMFC’s) are highly complex and involve convective and diffusive multiphase, multispecies flow through porous media along with heat and mass transfer and electrochemical reactions in conjunction with water transport through...... an electrolyte membrane. We will present a computational model of a PEMFC with focus on capillary transport of water through the porous layers and phase change and discuss the impact of the liquid phase boundary condition between the porous gas diffusion layer and the flow channels, where water droplets can...

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

    Science.gov (United States)

    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

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

    International Nuclear Information System (INIS)

    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)

  3. Multiphase porous media modelling: A novel approach to predicting food processing performance.

    Science.gov (United States)

    Khan, Md Imran H; Joardder, M U H; Kumar, Chandan; Karim, M A

    2018-03-04

    The development of a physics-based model of food processing is essential to improve the quality of processed food and optimize energy consumption. Food materials, particularly plant-based food materials, are complex in nature as they are porous and have hygroscopic properties. A multiphase porous media model for simultaneous heat and mass transfer can provide a realistic understanding of transport processes and thus can help to optimize energy consumption and improve food quality. Although the development of a multiphase porous media model for food processing is a challenging task because of its complexity, many researchers have attempted it. The primary aim of this paper is to present a comprehensive review of the multiphase models available in the literature for different methods of food processing, such as drying, frying, cooking, baking, heating, and roasting. A critical review of the parameters that should be considered for multiphase modelling is presented which includes input parameters, material properties, simulation techniques and the hypotheses. A discussion on the general trends in outcomes, such as moisture saturation, temperature profile, pressure variation, and evaporation patterns, is also presented. The paper concludes by considering key issues in the existing multiphase models and future directions for development of multiphase models.

  4. Experimental and AI-based numerical modeling of contaminant transport in porous media

    Science.gov (United States)

    Nourani, Vahid; Mousavi, Shahram; Sadikoglu, Fahreddin; Singh, Vijay P.

    2017-10-01

    This study developed a new hybrid artificial intelligence (AI)-meshless approach for modeling contaminant transport in porous media. The key innovation of the proposed approach is that both black box and physically-based models are combined for modeling contaminant transport. The effectiveness of the approach was evaluated using experimental and real world data. Artificial neural network (ANN) and adaptive neuro-fuzzy inference system (ANFIS) were calibrated to predict temporal contaminant concentrations (CCs), and the effect of noisy and de-noised data on the model performance was evaluated. Then, considering the predicted CCs at test points (TPs, in experimental study) and piezometers (in Myandoab plain) as interior conditions, the multiquadric radial basis function (MQ-RBF), as a meshless approach which solves partial differential equation (PDE) of contaminant transport in porous media, was employed to estimate the CC values at any point within the study area where there was no TP or piezometer. Optimal values of the dispersion coefficient in the advection-dispersion PDE and shape coefficient of MQ-RBF were determined using the imperialist competitive algorithm. In temporal contaminant transport modeling, de-noised data enhanced the performance of ANN and ANFIS methods in terms of the determination coefficient, up to 6 and 5%, respectively, in the experimental study and up to 39 and 18%, respectively, in the field study. Results showed that the efficiency of ANFIS-meshless model was more than ANN-meshless model up to 2 and 13% in the experimental and field studies, respectively.

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

    Science.gov (United States)

    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

  6. Material transport through porous media: a finite-element Galerkin model

    International Nuclear Information System (INIS)

    Duguid, J.O.; Reeves, M.

    1976-03-01

    A two-dimensional transient model for flow of a dissolved constituent through porous media has been developed. Mechanisms for advective transport, hydrodynamic dispersion, chemical absorption, and radioactive decay are included in the mathematical formulation. Implementations of quadrilateral finite elements, bilinear spatial interpolation, and Gaussian elimination are used in the numerical formulation. The programming language FORTRAN IV is used exclusively in the computer implementation. A listing of the program is included. This material-transport model is completely compatible with our moisture-transport model (Reeves and Duguid, 1975) for predicting advective Darcy velocities for porous media which may be partly unsaturated. In addition to a description of the mathematical formulation, the numerical treatment and the computer implementation results of two computer simulations are included in this document. One is a comparison with a well-known analytical treatment (Lapidus and Amundson, 1952) and is intended as a partial validation. The other simulation, a seepage-pond problem, is a more realistic demonstration of the capabilities of the computer model. Complete listings of input and output are given in the appendices so that this simulation may be used for check-out purposes. A comprehensive description of the material-transport computer model is given

  7. A Two-Scale Reduced Model for Darcy Flow in Fractured Porous Media

    KAUST Repository

    Chen, Huangxin

    2016-06-01

    In this paper, we develop a two-scale reduced model for simulating the Darcy flow in two-dimensional porous media with conductive fractures. We apply the approach motivated by the embedded fracture model (EFM) to simulate the flow on the coarse scale, and the effect of fractures on each coarse scale grid cell intersecting with fractures is represented by the discrete fracture model (DFM) on the fine scale. In the DFM used on the fine scale, the matrix-fracture system are resolved on unstructured grid which represents the fractures accurately, while in the EFM used on the coarse scale, the flux interaction between fractures and matrix are dealt with as a source term, and the matrix-fracture system can be resolved on structured grid. The Raviart-Thomas mixed finite element methods are used for the solution of the coupled flows in the matrix and the fractures on both fine and coarse scales. Numerical results are presented to demonstrate the efficiency of the proposed model for simulation of flow in fractured porous media.

  8. Modeling the effectiveness of U(VI) biomineralization in dual-porosity porous media

    Science.gov (United States)

    Rotter, B. E.; Barry, D. A.; Gerhard, J. I.; Small, J. S.

    2011-05-01

    SummaryUranium contamination is a serious environmental concern worldwide. Recent attention has focused on the in situ immobilization of uranium by stimulation of dissimilatory metal-reducing bacteria (DMRB). The objective of this work was to investigate the effectiveness of this approach in heterogeneous and structured porous media, since such media may significantly affect the geochemical and microbial processes taking place in contaminated sites, impacting remediation efficiency during biostimulation. A biogeochemical reactive transport model was developed for uranium remediation by immobile-region-resident DMRB in two-region porous media. Simulations were used to investigate the parameter sensitivities of the system over wide-ranging geochemical, microbial and groundwater transport conditions. The results suggest that optimal biomineralization is generally likely to occur when the regional mass transfer timescale is less than one-thirtieth the value of the volumetric flux timescale, and/or the organic carbon fermentation timescale is less than one-thirtieth the value of the advective timescale, and/or the mobile region porosity ranges between equal to and four times the immobile region porosity. Simulations including U(VI) surface complexation to Fe oxides additionally suggest that, while systems exhibiting U(VI) surface complexation may be successfully remediated, they are likely to display different degrees of remediation efficiency over varying microbial efficiency, mobile-immobile mass transfer, and porosity ratios. Such information may aid experimental and field designs, allowing for optimized remediation in dual-porosity (two-region) biostimulated DMRB U(VI) remediation schemes.

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

    KAUST Repository

    AlOtaibi, Manal; Calo, Victor M.; Efendiev, Yalchin R.; Galvis, Juan; Ghommem, Mehdi

    2015-01-01

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

  10. Pore network modeling of drainage process in patterned porous media: a quasi-static study

    KAUST Repository

    Zhang, Tao

    2015-04-17

    This work represents a preliminary investigation on the role of wettability conditions on the flow of a two-phase system in porous media. Since such effects have been lumped implicitly in relative permeability-saturation and capillary pressure-saturation relationships, it is quite challenging to isolate its effects explicitly in real porous media applications. However, within the framework of pore network models, it is easy to highlight the effects of wettability conditions on the transport of two-phase systems. We employ quasi-static investigation in which the system undergo slow movement based on slight increment of the imposed pressure. Several numerical experiments of the drainage process are conducted to displace a wetting fluid with a non-wetting one. In all these experiments the network is assigned different scenarios of various wettability patterns. The aim is to show that the drainage process is very much affected by the imposed pattern of wettability. The wettability conditions are imposed by assigning the value of contact angle to each pore throat according to predefined patterns.

  11. An effective dead oil model for two-phase flow in inhomogeneous porous media

    International Nuclear Information System (INIS)

    Bourgeat, A.

    1988-01-01

    The authors are investigating displacement process of incompressible two phase flow miscible or immiscible in heterogeneous porous media, including capillary and gravity effects. The authors' aim is to derive rigorously a Global or Effective Model which then allow, in Numerical Simulations, to disconnect the numerical mesh size from the heterogeneities size inside the reservoir itself. The reservoir is assumed to be made of uniformly (or non uniformly) periodically repeated cells. Each cell being made with different types of porous media. Then, calling ε the ratio of the cell size to the Reservoir size, we get equations depending on the parameter ε because the Porosity and Permeabilities, say Phi/sup ε/ and Κ/sup ε/ are themselves rapidly oscillating. From these ε-parametrized equations the authors derive simpler ''Effective Equations'' no more dependant on ε, called ''Homongenized Equations by the mathematical technique of Homogenization. In these new equations, which are describing Global Displacement process throughout a Globally Equivallent homogenous media where now //Phi and Κ are no more depending on the space variable or ε

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

    KAUST Repository

    AlOtaibi, Manal

    2015-08-01

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

  13. Porous media fluid flow, heat, and mass transport model with rock stress coupling

    International Nuclear Information System (INIS)

    Runchal, A.K.

    1980-01-01

    This paper describes the physical and mathematical basis of a general purpose porous media flow model, GWTHERM. The mathematical basis of the model is obtained from the coupled set of the classical governing equations for the mass, momentum and energy balance. These equations are embodied in a computational model which is then coupled externally to a linearly elastic rock-stress model. This coupling is rather exploratory and based upon empirical correlations. The coupled model is able to take account of time-dependent, inhomogeneous and anisotropic features of the hydrogeologic, thermal and transport phenomena. A number of applications of the model have been made. Illustrations from the application of the model to nuclear waste repositories are included

  14. Assessment model validity document. NAMMU: A program for calculating groundwater flow and transport through porous media

    International Nuclear Information System (INIS)

    Cliffe, K.A.; Morris, S.T.; Porter, J.D.

    1998-05-01

    NAMMU is a computer program for modelling groundwater flow and transport through porous media. This document provides an overview of the use of the program for geosphere modelling in performance assessment calculations and gives a detailed description of the program itself. The aim of the document is to give an indication of the grounds for having confidence in NAMMU as a performance assessment tool. In order to achieve this the following topics are discussed. The basic premises of the assessment approach and the purpose of and nature of the calculations that can be undertaken using NAMMU are outlined. The concepts of the validation of models and the considerations that can lead to increased confidence in models are described. The physical processes that can be modelled using NAMMU and the mathematical models and numerical techniques that are used to represent them are discussed in some detail. Finally, the grounds that would lead one to have confidence that NAMMU is fit for purpose are summarised

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

    KAUST Repository

    Davit, Y.; Wood, B. D.; Debenest, G.; Quintard, M.

    2012-01-01

    In this work, we study the transient behavior of homogenized models for solute transport in two-region porous media. We focus on the following three models: (1) a time non-local, two-equation model (2eq-nlt). This model does not rely on time

  16. Modeling of two-phase flow with thermal and mechanical non-equilibrium

    International Nuclear Information System (INIS)

    Houdayer, G.; Pinet, B.; Le Coq, G.; Reocreux, M.; Rousseau, J.C.

    1977-01-01

    To improve two-phase flow modeling by taking into account thermal and mechanical non-equilibrium a joint effort on analytical experiment and physical modeling has been undertaken. A model describing thermal non-equilibrium effects is first presented. A correlation of mass transfer has been developed using steam water critical flow tests. This model has been used to predict in a satisfactory manner blowdown tests. It has been incorporated in CLYSTERE system code. To take into account mechanical non-equilibrium, a six equations model is written. To get information on the momentum transfers special nitrogen-water tests have been undertaken. The first results of these studies are presented

  17. Travelling wave solutions for the Richards equation incorporating non-equilibrium effects in the capillarity pressure

    NARCIS (Netherlands)

    van Duijn, C. J.; Mitra, K.; Pop, I. S.

    2018-01-01

    The Richards equation is a mathematical model for unsaturated flow through porous media. This paper considers an extension of the Richards equation, where non-equilibrium effects like hysteresis and dynamic capillarity are incorporated in the relationship that relates the water pressure and the

  18. A numerical method for a model of two-phase flow in a coupled free flow and porous media system

    KAUST Repository

    Chen, Jie; Sun, Shuyu; Wang, Xiaoping

    2014-01-01

    In this article, we study two-phase fluid flow in coupled free flow and porous media regions. The model consists of coupled Cahn-Hilliard and Navier-Stokes equations in the free fluid region and the two-phase Darcy law in the porous medium region. We propose a Robin-Robin domain decomposition method for the coupled Navier-Stokes and Darcy system with the generalized Beavers-Joseph-Saffman condition on the interface between the free flow and the porous media regions. Numerical examples are presented to illustrate the effectiveness of this method. © 2014 Elsevier Inc.

  19. A numerical method for a model of two-phase flow in a coupled free flow and porous media system

    KAUST Repository

    Chen, Jie

    2014-07-01

    In this article, we study two-phase fluid flow in coupled free flow and porous media regions. The model consists of coupled Cahn-Hilliard and Navier-Stokes equations in the free fluid region and the two-phase Darcy law in the porous medium region. We propose a Robin-Robin domain decomposition method for the coupled Navier-Stokes and Darcy system with the generalized Beavers-Joseph-Saffman condition on the interface between the free flow and the porous media regions. Numerical examples are presented to illustrate the effectiveness of this method. © 2014 Elsevier Inc.

  20. Modeling coupled nanoparticle aggregation and transport in porous media: a Lagrangian approach.

    Science.gov (United States)

    Taghavy, Amir; Pennell, Kurt D; Abriola, Linda M

    2015-01-01

    Changes in nanoparticle size and shape due to particle-particle interactions (i.e., aggregation or agglomeration) may significantly alter particle mobility and retention in porous media. To date, however, few modeling studies have considered the coupling of transport and particle aggregation processes. The majority of particle transport models employ an Eulerian modeling framework and are, consequently, limited in the types of collisions and aggregate sizes that can be considered. In this work, a more general Lagrangian modeling framework is developed and implemented to explore coupled nanoparticle aggregation and transport processes. The model was verified through comparison of model simulations to published results of an experimental and Eulerian modeling study (Raychoudhury et al., 2012) of carboxymethyl cellulose (CMC)-modified nano-sized zero-valent iron particle (nZVI) transport and retention in water-saturated sand columns. A model sensitivity analysis reveals the influence of influent particle concentration (ca. 70 to 700 mg/L), primary particle size (10-100 nm) and pore water velocity (ca. 1-6 m/day) on particle-particle, and, consequently, particle-collector interactions. Model simulations demonstrate that, when environmental conditions promote particle-particle interactions, neglecting aggregation effects can lead to under- or over-estimation of nanoparticle mobility. Results also suggest that the extent to which higher order particle-particle collisions influence aggregation kinetics will increase with the fraction of primary particles. This work demonstrates the potential importance of time-dependent aggregation processes on nanoparticle mobility and provides a numerical model capable of capturing/describing these interactions in water-saturated porous media. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. A continuous time random walk model for Darcy-scale anomalous transport in heterogeneous porous media.

    Science.gov (United States)

    Comolli, Alessandro; Hakoun, Vivien; Dentz, Marco

    2017-04-01

    Achieving the understanding of the process of solute transport in heterogeneous porous media is of crucial importance for several environmental and social purposes, ranging from aquifers contamination and remediation, to risk assessment in nuclear waste repositories. The complexity of this aim is mainly ascribable to the heterogeneity of natural media, which can be observed at all the scales of interest, from pore scale to catchment scale. In fact, the intrinsic heterogeneity of porous media is responsible for the arising of the well-known non-Fickian footprints of transport, including heavy-tailed breakthrough curves, non-Gaussian spatial density profiles and the non-linear growth of the mean squared displacement. Several studies investigated the processes through which heterogeneity impacts the transport properties, which include local modifications to the advective-dispersive motion of solutes, mass exchanges between some mobile and immobile phases (e.g. sorption/desorption reactions or diffusion into solid matrix) and spatial correlation of the flow field. In the last decades, the continuous time random walk (CTRW) model has often been used to describe solute transport in heterogenous conditions and to quantify the impact of point heterogeneity, spatial correlation and mass transfer on the average transport properties [1]. Open issues regarding this approach are the possibility to relate measurable properties of the medium to the parameters of the model, as well as its capability to provide predictive information. In a recent work [2] the authors have shed new light on understanding the relationship between Lagrangian and Eulerian dynamics as well as on their evolution from arbitrary initial conditions. On the basis of these results, we derive a CTRW model for the description of Darcy-scale transport in d-dimensional media characterized by spatially random permeability fields. The CTRW approach models particle velocities as a spatial Markov process, which is

  2. Optimal variable-grid finite-difference modeling for porous media

    International Nuclear Information System (INIS)

    Liu, Xinxin; Yin, Xingyao; Li, Haishan

    2014-01-01

    Numerical modeling of poroelastic waves by the finite-difference (FD) method is more expensive than that of acoustic or elastic waves. To improve the accuracy and computational efficiency of seismic modeling, variable-grid FD methods have been developed. In this paper, we derived optimal staggered-grid finite difference schemes with variable grid-spacing and time-step for seismic modeling in porous media. FD operators with small grid-spacing and time-step are adopted for low-velocity or small-scale geological bodies, while FD operators with big grid-spacing and time-step are adopted for high-velocity or large-scale regions. The dispersion relations of FD schemes were derived based on the plane wave theory, then the FD coefficients were obtained using the Taylor expansion. Dispersion analysis and modeling results demonstrated that the proposed method has higher accuracy with lower computational cost for poroelastic wave simulation in heterogeneous reservoirs. (paper)

  3. In situ bioremediation: A network model of diffusion and flow in granular porous media

    Energy Technology Data Exchange (ETDEWEB)

    Griffiths, S.K.; Nilson, R.H.; Bradshaw, R.W.

    1997-04-01

    In situ bioremediation is a potentially expedient, permanent and cost- effective means of waste site decontamination. However, permeability reductions due to the transport and deposition of native fines or due to excessive microorganism populations may severely inhibit the injection of supplemental oxygen in the contamination zone. To help understand this phenomenon, we have developed a micro-mechanical network model of flow, diffusion and particle transport in granular porous materials. The model differs from most similar models in that the network is defined by particle positions in a numerically-generated particle array. The model is thus widely applicable to computing effective transport properties for both ordered and realistic random porous media. A laboratory-scale apparatus to measure permeability reductions has also been designed, built and tested.

  4. A nonequilibrium model for reactive contaminant transport through fractured porous media: Model development and semianalytical solution

    Science.gov (United States)

    Joshi, Nitin; Ojha, C. S. P.; Sharma, P. K.

    2012-10-01

    In this study a conceptual model that accounts for the effects of nonequilibrium contaminant transport in a fractured porous media is developed. Present model accounts for both physical and sorption nonequilibrium. Analytical solution was developed using the Laplace transform technique, which was then numerically inverted to obtain solute concentration in the fracture matrix system. The semianalytical solution developed here can incorporate both semi-infinite and finite fracture matrix extent. In addition, the model can account for flexible boundary conditions and nonzero initial condition in the fracture matrix system. The present semianalytical solution was validated against the existing analytical solutions for the fracture matrix system. In order to differentiate between various sorption/transport mechanism different cases of sorption and mass transfer were analyzed by comparing the breakthrough curves and temporal moments. It was found that significant differences in the signature of sorption and mass transfer exists. Applicability of the developed model was evaluated by simulating the published experimental data of Calcium and Strontium transport in a single fracture. The present model simulated the experimental data reasonably well in comparison to the model based on equilibrium sorption assumption in fracture matrix system, and multi rate mass transfer model.

  5. Modeling of turbulent flows in porous media and at the interface with a free fluid medium

    International Nuclear Information System (INIS)

    Chandesris, M.

    2006-12-01

    This work deals with the numerical simulation of turbulent flows in the whole nuclear reactor core, using multi-scale approaches. First, a macroscopic turbulence model is built, based on a porous media approach, to describe the flow in the fuel assemblies part of the nuclear core. Then, we study the jump conditions that have to be applied at a free fluid/porous interface. A thorough analytical study is carried out for laminar flows. This study allows to answer some fundamental questions about the physical meaning of the jump conditions, the values of the jump parameters and the location of the interface. Using these results, jump conditions for turbulent flows are proposed. The model is then applied to the simulation of a turbulent flow in a simplified model of a reactor core. (author)

  6. On the asymptotic behaviour of a simple model for sorption in porous media

    International Nuclear Information System (INIS)

    Linke, R.; Memmert, G.

    1988-01-01

    In order to study adsorption and desorption processes of a tracer in porous media, a simple model was used. In this model all reaction steps are assumed to be reversible and to follow first order kinetic behaviour. Results are presented for a homogeneous one-dimensional system. In particular, the asymptotic behaviour at long times is investigated. The asymptotic results are modified, if a second species of the tracer is present in the fluid phase. This additional component in the model might be the same element in a different oxidation state, or it could be a colloid. It is shown how different speciation in the fluid modifies the maximum value of tracer concentration due to the time dependent processes. (orig.)

  7. The use of the dusty-gas model for the description of mass transport with chemical reaction in porous media

    NARCIS (Netherlands)

    Veldsink, J.W.; Veldsink, J.W.; van Damme, Rudolf M.J.; Versteeg, Geert; van Swaaij, Willibrordus Petrus Maria

    1995-01-01

    In the present study, mass transport accompanied by chemical reactions in porous media is studied according to the Fick model and the dusty-gas model. For mass transport accompanied by a chemical reaction in catalyst structures showing a plane, line, or point of symmetry, the approximate analytical

  8. Image-based modeling of flow and reactive transport in porous media

    Science.gov (United States)

    Qin, Chao-Zhong; Hoang, Tuong; Verhoosel, Clemens V.; Harald van Brummelen, E.; Wijshoff, Herman M. A.

    2017-04-01

    Due to the availability of powerful computational resources and high-resolution acquisition of material structures, image-based modeling has become an important tool in studying pore-scale flow and transport processes in porous media [Scheibe et al., 2015]. It is also playing an important role in the upscaling study for developing macroscale porous media models. Usually, the pore structure of a porous medium is directly discretized by the voxels obtained from visualization techniques (e.g. micro CT scanning), which can avoid the complex generation of computational mesh. However, this discretization may considerably overestimate the interfacial areas between solid walls and pore spaces. As a result, it could impact the numerical predictions of reactive transport and immiscible two-phase flow. In this work, two types of image-based models are used to study single-phase flow and reactive transport in a porous medium of sintered glass beads. One model is from a well-established voxel-based simulation tool. The other is based on the mixed isogeometric finite cell method [Hoang et al., 2016], which has been implemented in the open source Nutils (http://www.nutils.org). The finite cell method can be used in combination with isogeometric analysis to enable the higher-order discretization of problems on complex volumetric domains. A particularly interesting application of this immersed simulation technique is image-based analysis, where the geometry is smoothly approximated by segmentation of a B-spline level set approximation of scan data [Verhoosel et al., 2015]. Through a number of case studies by the two models, we will show the advantages and disadvantages of each model in modeling single-phase flow and reactive transport in porous media. Particularly, we will highlight the importance of preserving high-resolution interfaces between solid walls and pore spaces in image-based modeling of porous media. References Hoang, T., C. V. Verhoosel, F. Auricchio, E. H. van

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

    KAUST Repository

    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.

  10. The use of a diffuse interface model to estimate effective transport properties for two-phase flows in porous media

    International Nuclear Information System (INIS)

    Fichot, Floriana; Duval, Fabiena; Garcia, Aureliena; Belloni, Julien; Quintard, Michel

    2005-01-01

    'interface' of finite width. Within the framework of the second gradient theory, diffuse interface models can be derived for both single-component and binary fluids. The latter model is often referred to as the Cahn-Hilliard or Phase-Field model. In this paper, the Cahn-Hilliard model is used to simulate immiscible two-phase flows in a representative geometry of a particle bed. The details of the modelling can be found in Duval [1]. The results are used to establish correlations for the two-phase pressure drop and the wall heat transfer coefficients as a function of void fraction and phase velocities. The results are compared with available analytical or experimental data. References: [1] F. Duval, F. Fichot, and M. Quintard. Diffuse interface methods for two-phase flow in porous media. In Trends in Numerical and Physical Modelling for Industrial Multiphase Flows, Cargese (France), September 2001; [2] F. Duval, F. Fichot, and M. Quintard. A local thermal non-equilibrium model for two-phase flows with phase change in porous media. International Journal of Heat and Mass Transfer, 47(3):613-639, 2004. (authors)

  11. Modeling of two-phase flow in membranes and porous media in microgravity as applied to plant irrigation in space

    Science.gov (United States)

    Scovazzo, P.; Illangasekare, T. H.; Hoehn, A.; Todd, P.

    2001-01-01

    In traditional applications in soil physics it is convention to scale porous media properties, such as hydraulic conductivity, soil water diffusivity, and capillary head, with the gravitational acceleration. In addition, the Richards equation for water flux in partially saturated porous media also contains a gravity term. With the plans to develop plant habitats in space, such as in the International Space Station, it becomes necessary to evaluate these properties and this equation under conditions of microgravitational acceleration. This article develops models for microgravity steady state two-phase flow, as found in irrigation systems, that addresses critical design issues. Conventional dimensionless groups in two-phase mathematical models are scaled with gravity, which must be assigned a value of zero for microgravity modeling. The use of these conventional solutions in microgravity, therefore, is not possible. This article therefore introduces new dimensionless groups for two-phase models. The microgravity models introduced here determined that in addition to porous media properties, important design factors for microgravity systems include applied water potential and the ratio of inner to outer radii for cylindrical and spherical porous media systems.

  12. A Multiscale Time-Splitting Discrete Fracture Model of Nanoparticles Transport in Fractured Porous Media

    KAUST Repository

    El-Amin, Mohamed F.; Kou, Jisheng; Sun, Shuyu

    2017-01-01

    Recently, applications of nanoparticles have been considered in many branches of petroleum engineering, especially, enhanced oil recovery. The current paper is devoted to investigate the problem of nanoparticles transport in fractured porous media, numerically. We employed the discrete-fracture model (DFM) to represent the flow and transport in the fractured formations. The system of the governing equations consists of the mass conservation law, Darcy's law, nanoparticles concentration in water, deposited nanoparticles concentration on the pore-wall, and entrapped nanoparticles concentration in the pore-throat. The variation of porosity and permeability due to the nanoparticles deposition/entrapment on/in the pores is also considered. We employ the multiscale time-splitting strategy to control different time-step sizes for different physics, such as pressure and concentration. The cell-centered finite difference (CCFD) method is used for the spatial discretization. Numerical examples are provided to demonstrate the efficiency of the proposed multiscale time splitting approach.

  13. A Multiscale Time-Splitting Discrete Fracture Model of Nanoparticles Transport in Fractured Porous Media

    KAUST Repository

    El-Amin, Mohamed F.

    2017-06-06

    Recently, applications of nanoparticles have been considered in many branches of petroleum engineering, especially, enhanced oil recovery. The current paper is devoted to investigate the problem of nanoparticles transport in fractured porous media, numerically. We employed the discrete-fracture model (DFM) to represent the flow and transport in the fractured formations. The system of the governing equations consists of the mass conservation law, Darcy\\'s law, nanoparticles concentration in water, deposited nanoparticles concentration on the pore-wall, and entrapped nanoparticles concentration in the pore-throat. The variation of porosity and permeability due to the nanoparticles deposition/entrapment on/in the pores is also considered. We employ the multiscale time-splitting strategy to control different time-step sizes for different physics, such as pressure and concentration. The cell-centered finite difference (CCFD) method is used for the spatial discretization. Numerical examples are provided to demonstrate the efficiency of the proposed multiscale time splitting approach.

  14. Space-fractional model for the spreading of matter in heterogeneous porous media

    International Nuclear Information System (INIS)

    Krepysheva, N.; Neel, M.Ch.

    2005-01-01

    In very heterogeneous porous media (like the soil, or an aquifer, for instance), experimental results showed that mass transport sometimes does not obey Fourier's law. Continuous Time Random Walks in the form of L y Flights provide a small scale model for super diffusive spreading of a tracer plume, dissolved in a fluid, itself enclosed in a porous medium. In an infinite medium, the corresponding behavior of the concentration of solute is known to obey a variant of Fourier's law, with a Riesz-Feller operator in place of the Laplacian. Here we show that with some modifications the result extends to semi infinite media. A numerical method allowing for the simulation of fractional derivatives is adapted to semi infinite media, with special attention to convective terms, associated to a possibly non zero global trough flow. (authors)

  15. Space-fractional model for the spreading of matter in heterogeneous porous media

    Energy Technology Data Exchange (ETDEWEB)

    Krepysheva, N. [Institut National de Recherches Agronomiques (INRA), UMRA Climat-Sol-Environnement, 84 - Avignon (France); Neel, M.Ch. [Universite d' Avignon, Faculte des Sciences, UMRA Climat-Sol-Environnement, 84 - Avignon (France)

    2005-07-01

    In very heterogeneous porous media (like the soil, or an aquifer, for instance), experimental results showed that mass transport sometimes does not obey Fourier's law. Continuous Time Random Walks in the form of L y Flights provide a small scale model for super diffusive spreading of a tracer plume, dissolved in a fluid, itself enclosed in a porous medium. In an infinite medium, the corresponding behavior of the concentration of solute is known to obey a variant of Fourier's law, with a Riesz-Feller operator in place of the Laplacian. Here we show that with some modifications the result extends to semi infinite media. A numerical method allowing for the simulation of fractional derivatives is adapted to semi infinite media, with special attention to convective terms, associated to a possibly non zero global trough flow. (authors)

  16. Nonequilibrium Physics and Phase-Field Modeling of Multiphase Flow in Porous Media

    Energy Technology Data Exchange (ETDEWEB)

    Juanes, Ruben [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2016-09-01

    The overarching goal of this project was to develop a new continuum theory of multiphase flow in porous media. The theory follows a phase-field modeling approach, and therefore has a sound thermodynamical basis. It is a phenomenological theory in the sense that its formulation is driven by macroscopic phenomena, such as viscous instabilities during multifluid displacement. The research agenda was organized around a set of hypothesis on hitherto unexplained behavior of multiphase flow. All these hypothesis are nontrivial, and testable. Indeed, a central aspect of the project was testing each hypothesis by means of carefully-designed laboratory experiments, therefore probing the validity of the proposed theory. The proposed research places an emphasis on the fundamentals of flow physics, but is motivated by important energy-driven applications in earth sciences, as well as microfluidic technology.

  17. A two-temperature chemical non-equilibrium modeling of DC arc plasma

    International Nuclear Information System (INIS)

    Qian Haiyang; Wu Bin

    2011-01-01

    To a better understanding of non-equilibrium characteristics of DC arc plasma,a two-dimensional axisymmetric two-temperature chemical non-equilibrium (2T-NCE) model is applied for direct current arc argon plasma generator with water-cooled constrictor at atmospheric pressure. The results show that the electron temperature and heavy particle temperature has a relationship under different working parameters, indicating that DC arc plasma has a strong non-equilibrium characteristic, and the variation is obvious. (authors)

  18. A numerical formulation using unstructured grids for modeling two-phase flows in porous media considering heterogeneities and capillarity effects

    International Nuclear Information System (INIS)

    Hurtado, F.S.V.; Maliska, C.R.

    2005-01-01

    This paper briefly describes a two-dimensional numerical formulation using unstructured grids, developed for simulating two-phase immiscible displacements in porous media. The Element-based Finite Volume Method (EbFVM) is used for discretizing the model differential equations. (authors)

  19. A numerical formulation using unstructured grids for modeling two-phase flows in porous media considering heterogeneities and capillarity effects

    Energy Technology Data Exchange (ETDEWEB)

    Hurtado, F.S.V.; Maliska, C.R. [Santa Catarina Federal Univ., Computational Fluid Dynamics Lab., Mechanical Engineering Dept., Florianopolis, SC (Brazil)

    2005-07-01

    This paper briefly describes a two-dimensional numerical formulation using unstructured grids, developed for simulating two-phase immiscible displacements in porous media. The Element-based Finite Volume Method (EbFVM) is used for discretizing the model differential equations. (authors)

  20. On non-equilibrium states in QFT model with boundary interaction

    International Nuclear Information System (INIS)

    Bazhanov, Vladimir V.; Lukyanov, Sergei L.; Zamolodchikov, Alexander B.

    1999-01-01

    We prove that certain non-equilibrium expectation values in the boundary sine-Gordon model coincide with associated equilibrium-state expectation values in the systems which differ from the boundary sine-Gordon in that certain extra boundary degrees of freedom (q-oscillators) are added. Applications of this result to actual calculation of non-equilibrium characteristics of the boundary sine-Gordon model are also discussed

  1. Discussions on the non-equilibrium effects in the quantitative phase field model of binary alloys

    International Nuclear Information System (INIS)

    Zhi-Jun, Wang; Jin-Cheng, Wang; Gen-Cang, Yang

    2010-01-01

    All the quantitative phase field models try to get rid of the artificial factors of solutal drag, interface diffusion and interface stretch in the diffuse interface. These artificial non-equilibrium effects due to the introducing of diffuse interface are analysed based on the thermodynamic status across the diffuse interface in the quantitative phase field model of binary alloys. Results indicate that the non-equilibrium effects are related to the negative driving force in the local region of solid side across the diffuse interface. The negative driving force results from the fact that the phase field model is derived from equilibrium condition but used to simulate the non-equilibrium solidification process. The interface thickness dependence of the non-equilibrium effects and its restriction on the large scale simulation are also discussed. (cross-disciplinary physics and related areas of science and technology)

  2. Macroscopic lattice Boltzmann model for heat and moisture transfer process with phase transformation in unsaturated porous media during freezing process

    Directory of Open Access Journals (Sweden)

    Song Wenyu

    2017-06-01

    Full Text Available In the current study, a macroscopic lattice Boltzmann model for simulating the heat and moisture transport phenomenon in unsaturated porous media during the freezing process was proposed. The proposed model adopted percolation threshold to reproduce the extra resistance in frozen fringe during the freezing process. The freezing process in Kanagawa sandy loam soil was demonstrated by the proposed model. The numerical result showed good agreement with the experimental result. The proposed model also offered higher computational efficiency and better agreement with the experimental result than the existing numerical models. Lattice Boltzmann method is suitable for simulating complex heat and mass transfer process in porous media at macroscopic scale under proper dimensionless criterion, which makes it a potentially powerful tool for engineering application.

  3. Modeling of Single and Dual Reservoir Porous Media Compressed Gas (Air and CO2) Storage Systems

    Science.gov (United States)

    Oldenburg, C. M.; Liu, H.; Borgia, A.; Pan, L.

    2017-12-01

    Intermittent renewable energy sources are causing increasing demand for energy storage. The deep subsurface offers promising opportunities for energy storage because it can safely contain high-pressure gases. Porous media compressed air energy storage (PM-CAES) is one approach, although the only facilities in operation are in caverns (C-CAES) rather than porous media. Just like in C-CAES, PM-CAES operates generally by injecting working gas (air) through well(s) into the reservoir compressing the cushion gas (existing air in the reservoir). During energy recovery, high-pressure air from the reservoir is mixed with fuel in a combustion turbine to produce electricity, thereby reducing compression costs. Unlike in C-CAES, the storage of energy in PM-CAES occurs variably across pressure gradients in the formation, while the solid grains of the matrix can release/store heat. Because air is the working gas, PM-CAES has fairly low thermal efficiency and low energy storage density. To improve the energy storage density, we have conceived and modeled a closed-loop two-reservoir compressed CO2 energy storage system. One reservoir is the low-pressure reservoir, and the other is the high-pressure reservoir. CO2 is cycled back and forth between reservoirs depending on whether energy needs to be stored or recovered. We have carried out thermodynamic and parametric analyses of the performance of an idealized two-reservoir CO2 energy storage system under supercritical and transcritical conditions for CO2 using a steady-state model. Results show that the transcritical compressed CO2 energy storage system has higher round-trip efficiency and exergy efficiency, and larger energy storage density than the supercritical compressed CO2 energy storage. However, the configuration of supercritical compressed CO2 energy storage is simpler, and the energy storage densities of the two systems are both higher than that of PM-CAES, which is advantageous in terms of storage volume for a given

  4. Modeling of strongly heat-driven flow in partially saturated fractured porous media

    International Nuclear Information System (INIS)

    Pruess, K.; Tsang, Y.W.; Wang, J.S.Y.

    1985-01-01

    The authors have performed modeling studies on the simultaneous transport of heat, liquid water, vapor, and air in partially saturated fractured porous media, with particular emphasis on strongly heat-driven flow. The presence of fractures makes the transport problem very complex, both in terms of flow geometry and physics. The numerical simulator used for their flow calculations takes into account most of the physical effects which are important in multi-phase fluid and heat flow. It has provisions to handle the extreme non-linearities which arise in phase transitions, component disappearances, and capillary discontinuities at fracture faces. They model a region around an infinite linear string of nuclear waste canisters, taking into account both the discrete fractures and the porous matrix. From an analysis of the results obtained with explicit fractures, they develop equivalent continuum models which can reproduce the temperature, saturation, and pressure variation, and gas and liquid flow rates of the discrete fracture-porous matrix calculations. The equivalent continuum approach makes use of a generalized relative permeability concept to take into account the fracture effects. This results in a substantial simplification of the flow problem which makes larger scale modeling of complicated unsaturated fractured porous systems feasible. Potential applications for regional scale simulations and limitations of the continuum approach are discussed. 27 references, 13 figures, 2 tables

  5. Modeling of strongly heat-driven flow in partially saturated fractured porous media

    International Nuclear Information System (INIS)

    Pruess, K.; Tsang, Y.W.; Wang, J.S.Y.

    1984-10-01

    We have performed modeling studies on the simultaneous transport of heat, liquid water, vapor, and air in partially saturated fractured porous media, with particular emphasis on strongly heat-driven flow. The presence of fractures makes the transport problem very complex, both in terms of flow geometry and physics. The numerical simulator used for our flow calculations takes into account most of the physical effects which are important in multi-phase fluid and heat flow. It has provisions to handle the extreme non-linearities which arise in phase transitions, component disappearances, and capillary discontinuities at fracture faces. We model a region around an infinite linear string of nuclear waste canisters, taking into account both the discrete fractures and the porous matrix. From an analysis of the results obtained with explicit fractures, we develop equivalent continuum models which can reproduce the temperature, saturation, and pressure variation, and gas and liquid flow rates of the discrete fracture-porous matrix calculations. The equivalent continuum approach makes use of a generalized relative permeability concept to take into account for fracture effects. This results in a substantial simplification of the flow problem which makes larger scale modeling of complicated unsaturated fractured porous systems feasible. Potential applications for regional scale simulations and limitations of the continuum approach are discussed. 27 references, 13 figures, 2 tables

  6. Non-equilibrium mass transfer absorption model for the design of boron isotopes chemical exchange column

    International Nuclear Information System (INIS)

    Bai, Peng; Fan, Kaigong; Guo, Xianghai; Zhang, Haocui

    2016-01-01

    Highlights: • We propose a non-equilibrium mass transfer absorption model instead of a distillation equilibrium model to calculate boron isotopes separation. • We apply the model to calculate the needed column height to meet prescribed separation requirements. - Abstract: To interpret the phenomenon of chemical exchange in boron isotopes separation accurately, the process is specified as an absorption–reaction–desorption hybrid process instead of a distillation equilibrium model, the non-equilibrium mass transfer absorption model is put forward and a mass transfer enhancement factor E is introduced to find the packing height needed to meet the specified separation requirements with MATLAB.

  7. Discrete-continuum multiscale model for transport, biomass development and solid restructuring in porous media

    Science.gov (United States)

    Ray, Nadja; Rupp, Andreas; Prechtel, Alexander

    2017-09-01

    Upscaling transport in porous media including both biomass development and simultaneous structural changes in the solid matrix is extremely challenging. This is because both affect the medium's porosity as well as mass transport parameters and flow paths. We address this challenge by means of a multiscale model. At the pore scale, the local discontinuous Galerkin (LDG) method is used to solve differential equations describing particularly the bacteria's and the nutrient's development. Likewise, a sticky agent tightening together solid or bio cells is considered. This is combined with a cellular automaton method (CAM) capturing structural changes of the underlying computational domain stemming from biomass development and solid restructuring. Findings from standard homogenization theory are applied to determine the medium's characteristic time- and space-dependent properties. Investigating these results enhances our understanding of the strong interplay between a medium's functional properties and its geometric structure. Finally, integrating such properties as model parameters into models defined on a larger scale enables reflecting the impact of pore scale processes on the larger scale.

  8. A stochastic multiscale framework for modeling flow through random heterogeneous porous media

    International Nuclear Information System (INIS)

    Ganapathysubramanian, B.; Zabaras, N.

    2009-01-01

    Flow through porous media is ubiquitous, occurring from large geological scales down to the microscopic scales. Several critical engineering phenomena like contaminant spread, nuclear waste disposal and oil recovery rely on accurate analysis and prediction of these multiscale phenomena. Such analysis is complicated by inherent uncertainties as well as the limited information available to characterize the system. Any realistic modeling of these transport phenomena has to resolve two key issues: (i) the multi-length scale variations in permeability that these systems exhibit, and (ii) the inherently limited information available to quantify these property variations that necessitates posing these phenomena as stochastic processes. A stochastic variational multiscale formulation is developed to incorporate uncertain multiscale features. A stochastic analogue to a mixed multiscale finite element framework is used to formulate the physical stochastic multiscale process. Recent developments in linear and non-linear model reduction techniques are used to convert the limited information available about the permeability variation into a viable stochastic input model. An adaptive sparse grid collocation strategy is used to efficiently solve the resulting stochastic partial differential equations (SPDEs). The framework is applied to analyze flow through random heterogeneous media when only limited statistics about the permeability variation are given

  9. Large-scale model of flow in heterogeneous and hierarchical porous media

    Science.gov (United States)

    Chabanon, Morgan; Valdés-Parada, Francisco J.; Ochoa-Tapia, J. Alberto; Goyeau, Benoît

    2017-11-01

    Heterogeneous porous structures are very often encountered in natural environments, bioremediation processes among many others. Reliable models for momentum transport are crucial whenever mass transport or convective heat occurs in these systems. In this work, we derive a large-scale average model for incompressible single-phase flow in heterogeneous and hierarchical soil porous media composed of two distinct porous regions embedding a solid impermeable structure. The model, based on the local mechanical equilibrium assumption between the porous regions, results in a unique momentum transport equation where the global effective permeability naturally depends on the permeabilities at the intermediate mesoscopic scales and therefore includes the complex hierarchical structure of the soil. The associated closure problem is numerically solved for various configurations and properties of the heterogeneous medium. The results clearly show that the effective permeability increases with the volume fraction of the most permeable porous region. It is also shown that the effective permeability is sensitive to the dimensionality spatial arrangement of the porous regions and in particular depends on the contact between the impermeable solid and the two porous regions.

  10. Modeling fractures as interfaces for flow and transport in porous media

    International Nuclear Information System (INIS)

    Serres, Ch.; Alboin, C.; Jaffre, J.; Roberts, J.

    2002-05-01

    We are concerned with flow and transport in a fractured porous medium at a scale where the fractures can be modelled individually. The fractures themselves are porous media with large permeability in comparison with that in the surrounding rock. Contrarily to many studies in which the contrast in permeabilities is of such an order that the flow outside of the fracture is neglected, the purpose of this work is to consider the case where the exchange between the fractures and the surrounding rock is significant. Then it is necessary to take into account this interaction because it has a profound effect on the flow and the transport of a solute. The main idea for this work is to treat fractures as interfaces. Then it will not be necessary to use mesh refinements around the fractures, which is an important drawback of most models. Treating fractures as interfaces leads to non-overlapping domain decomposition methods, using the natural domain decomposition suggested by the fracture network. This paper is organized as follows. In Section 2, we present the model, and in Section 3, we show that the corresponding problem has a unique solution. In Section 4, we reduce the approximate problem to a problem with unknowns on the interface. Numerical results are given in Section 5 for the simple case of a domain divided into two sub-domains by one fracture. In Section 6 we extend the formulation to the case of intersecting fractures and in Section 7 to that of a solute transport. (authors)

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

    KAUST Repository

    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.

  12. An implicit numerical model for multicomponent compressible two-phase flow in porous media

    Science.gov (United States)

    Zidane, Ali; Firoozabadi, Abbas

    2015-11-01

    We introduce a new implicit approach to model multicomponent compressible two-phase flow in porous media with species transfer between the phases. In the implicit discretization of the species transport equation in our formulation we calculate for the first time the derivative of the molar concentration of component i in phase α (cα, i) with respect to the total molar concentration (ci) under the conditions of a constant volume V and temperature T. The species transport equation is discretized by the finite volume (FV) method. The fluxes are calculated based on powerful features of the mixed finite element (MFE) method which provides the pressure at grid-cell interfaces in addition to the pressure at the grid-cell center. The efficiency of the proposed model is demonstrated by comparing our results with three existing implicit compositional models. Our algorithm has low numerical dispersion despite the fact it is based on first-order space discretization. The proposed algorithm is very robust.

  13. FEMWATER: a finite-element model of water flow through saturated-unsaturated porous media

    International Nuclear Information System (INIS)

    Yeh, G.T.; Ward, D.S.

    1980-10-01

    Upon examining the Water Movement Through Saturated-Unsaturated Porous Media: A Finite-Element Galerkin Model, it was felt that the model should be modified and expanded. The modification is made in calculating the flow field in a manner consistent with the finite element approach, in evaluating the moisture-content increasing rate within the region of interest, and in numerically computing the nonlinear terms. With these modifications, the flow field is continuous everywhere in the flow regime, including element boundaries and nodal points, and the mass loss through boundaries is much reduced. Expansion is made to include four additional numerical schemes which would be more appropriate for many situations. Also, to save computer storage, all arrays pertaining to the boundary condition information are compressed to smaller dimension, and to ease the treatment of different problems, all arrays are variably dimensioned in all subroutines. This report is intended to document these efforts. In addition, in the derivation of finite-element equations, matrix component representation is used, which is believed more readable than the matrix representation in its entirety. Two identical sample problems are simulated to show the difference between the original and revised models

  14. Evaluation and Validation of a TCAT Model to Describe Non-Dilute Flow and Species Transport in Porous Media

    Science.gov (United States)

    Weigand, T. M.; Harrison, E.; Miller, C. T.

    2017-12-01

    A thermodynamically constrained averaging theory (TCAT) model has been developed to simulate non-dilute flow and species transport in porous media. This model has the advantages of a firm connection between the microscale, or pore scale, and the macroscale; a thermodynamically consistent basis; the explicit inclusion of dissipative terms that arise from spatial gradients in pressure and chemical activity; and the ability to describe both high and low concentration displacement. The TCAT model has previously been shown to provide excellent agreement for a set of laboratory data and outperformed existing macroscale models that have been used for non-dilute flow and transport. The examined experimental dataset consisted of stable brine displacements for a large range of fluid properties. This dataset however only examined one type of porous media and had a fixed flow rate for all experiments. In this work, the TCAT model is applied to a dataset that consists of two different porous media types, constant head and flow rate conditions, varying resident fluid concentrations, and internal probes that measured the pressure and salt mass fraction. Parameter estimation is performed on a subset of the experimental data for the TCAT model as well as other existing non-dilute flow and transport models. The optimized parameters are then used for forward simulations and the accuracy of the models is compared.

  15. Software package r3t. Model for transport and retention in porous media. Final report

    International Nuclear Information System (INIS)

    Fein, E.

    2004-01-01

    In long-termsafety analyses for final repositories for hazardous wastes in deep geological formations the impact to the biosphere due to potential release of hazardous materials is assessed for relevant scenarios. The model for migration of wastes from repositories to men is divided into three almost independent parts: the near field, the geosphere, and the biosphere. With the development of r 3 t the feasibility to model the pollutant transport through the geosphere for porous or equivalent porous media in large, three-dimensional, and complex regions is established. Furthermore one has at present the ability to consider all relevant retention and interaction effects which are important for long-term safety analyses. These are equilibrium sorption, kinetically controlled sorption, diffusion into immobile pore waters, and precipitation. The processes of complexing, colloidal transport and matrix diffusion may be considered at least approximately by skilful choice of parameters. Speciation is not part of the very recently developed computer code r 3 t. With r 3 t it is possible to assess the potential dilution and the barrier impact of the overburden close to reality

  16. Numerical modelling of two phase flow with hysteresis in heterogeneous porous media

    Energy Technology Data Exchange (ETDEWEB)

    Abreu, E. [Instituto Nacional de Matematica Pura e Aplicada (IMPA), Rio de Janeiro, RJ (Brazil); Furtado, F.; Pereira, F. [University of Wyoming, Laramie, WY (United States). Dept. of Mathematicsatics; Souza, G. [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil)

    2008-07-01

    Numerical simulators are necessary for the understanding of multiphase flow in porous media in order to optimize hydrocarbon recovery. In this work, the immiscible flow of two incompressible phases, a problem very common in waterflooding of petroleum reservoirs, is considered and numerical simulation techniques are presented. The system of equations which describe this type of flow form a coupled, highly nonlinear system of time-dependent partial differential equations (PDEs). The equation for the saturation of the invading fluid is a convection-dominated, degenerate parabolic PDE whose solutions typically exhibit sharp fronts (i.e., internal layers with strong gradients) and is very difficult to approximate numerically. It is well known that accurate modeling of convective and diffusive processes is one of the most daunting tasks in the numerical approximation of PDEs. Particularly difficult is the case where convection dominates diffusion. Specifically, we consider the injection problem for a model of two-phase (water/oil) flow in a core sample of porous rock, taking into account hysteresis effects in the relative permeability of the oil phase. (author)

  17. Modeling the Impact of Fracture Growth on Fluid Displacements in Deformable Porous Media

    Science.gov (United States)

    Santillán, D.; Cueto-Felgueroso, L.; Juanes, R.

    2015-12-01

    Coupled flow and geomechanics is a critical research challenge in engineering and the geosciences. The flow of a fluid through a deformable porous media is present in manyenvironmental, industrial, and biological processes,such as the removal of pollutants from underground water bodies, enhanced geothermal systems, unconventional hydrocarbon resources or enhanced oil recovery techniques. However, the injection of a fluid can generate or propagate fractures, which are preferential flow paths. Using numerical simulation, we study the interplay between injection and rock mechanics, and elucidate fracture propagation as a function of injection rate, initial crack topology and mechanical rock properties. Finally, we discuss the role of fracture growth on fluid displacements in porous media. Figure: An example of fracture (in red) propagated in a porous media (in blue)

  18. Fluid dynamics and mass transfer in variably saturated porous media: formulation and applications of a mathematical model

    International Nuclear Information System (INIS)

    Sharma, D.

    1982-01-01

    This paper presents the formulation and applications of a mathematical model designed to predict the fluid dynamics and associated mass transfers in variably saturated porous media. Novelties in the formulation are emphasized and demonstrated to provide several computational advantages. The numerical procedure employed is of the integrated finite-difference variety which employs a hybrid differencing scheme. This procedure, while solving the coupled governing equations in conservative form, permits accommodation of substantial heterogeneities and anisotropies in material properties of the porous media. Accordingly, it is capable of making reliable predictions of steeply varying moisture and chemical-specie concentration fronts. The paper provides several examples of application of the model to the solution of practical problems. It is demonstrated that economical solutions to highly non-linear problems associated with solid and liquid waste disposal practices can be obtained

  19. Revisiting Temporal Markov Chains for Continuum modeling of Transport in Porous Media

    Science.gov (United States)

    Delgoshaie, A. H.; Jenny, P.; Tchelepi, H.

    2017-12-01

    The transport of fluids in porous media is dominated by flow­-field heterogeneity resulting from the underlying permeability field. Due to the high uncertainty in the permeability field, many realizations of the reference geological model are used to describe the statistics of the transport phenomena in a Monte Carlo (MC) framework. There has been strong interest in working with stochastic formulations of the transport that are different from the standard MC approach. Several stochastic models based on a velocity process for tracer particle trajectories have been proposed. Previous studies have shown that for high variances of the log-conductivity, the stochastic models need to account for correlations between consecutive velocity transitions to predict dispersion accurately. The correlated velocity models proposed in the literature can be divided into two general classes of temporal and spatial Markov models. Temporal Markov models have been applied successfully to tracer transport in both the longitudinal and transverse directions. These temporal models are Stochastic Differential Equations (SDEs) with very specific drift and diffusion terms tailored for a specific permeability correlation structure. The drift and diffusion functions devised for a certain setup would not necessarily be suitable for a different scenario, (e.g., a different permeability correlation structure). The spatial Markov models are simple discrete Markov chains that do not require case specific assumptions. However, transverse spreading of contaminant plumes has not been successfully modeled with the available correlated spatial models. Here, we propose a temporal discrete Markov chain to model both the longitudinal and transverse dispersion in a two-dimensional domain. We demonstrate that these temporal Markov models are valid for different correlation structures without modification. Similar to the temporal SDEs, the proposed model respects the limited asymptotic transverse spreading of

  20. A continuous stochastic model for non-equilibrium dense gases

    Science.gov (United States)

    Sadr, M.; Gorji, M. H.

    2017-12-01

    While accurate simulations of dense gas flows far from the equilibrium can be achieved by direct simulation adapted to the Enskog equation, the significant computational demand required for collisions appears as a major constraint. In order to cope with that, an efficient yet accurate solution algorithm based on the Fokker-Planck approximation of the Enskog equation is devised in this paper; the approximation is very much associated with the Fokker-Planck model derived from the Boltzmann equation by Jenny et al. ["A solution algorithm for the fluid dynamic equations based on a stochastic model for molecular motion," J. Comput. Phys. 229, 1077-1098 (2010)] and Gorji et al. ["Fokker-Planck model for computational studies of monatomic rarefied gas flows," J. Fluid Mech. 680, 574-601 (2011)]. The idea behind these Fokker-Planck descriptions is to project the dynamics of discrete collisions implied by the molecular encounters into a set of continuous Markovian processes subject to the drift and diffusion. Thereby, the evolution of particles representing the governing stochastic process becomes independent from each other and thus very efficient numerical schemes can be constructed. By close inspection of the Enskog operator, it is observed that the dense gas effects contribute further to the advection of molecular quantities. That motivates a modelling approach where the dense gas corrections can be cast in the extra advection of particles. Therefore, the corresponding Fokker-Planck approximation is derived such that the evolution in the physical space accounts for the dense effects present in the pressure, stress tensor, and heat fluxes. Hence the consistency between the devised Fokker-Planck approximation and the Enskog operator is shown for the velocity moments up to the heat fluxes. For validation studies, a homogeneous gas inside a box besides Fourier, Couette, and lid-driven cavity flow setups is considered. The results based on the Fokker-Planck model are

  1. Survey on efficient linear solvers for porous media flow models on recent hardware architectures

    International Nuclear Information System (INIS)

    Anciaux-Sedrakian, Ani; Gratien, Jean-Marc; Guignon, Thomas; Gottschling, Peter

    2014-01-01

    In the past few years, High Performance Computing (HPC) technologies led to General Purpose Processing on Graphics Processing Units (GPGPU) and many-core architectures. These emerging technologies offer massive processing units and are interesting for porous media flow simulators may used for CO 2 geological sequestration or Enhanced Oil Recovery (EOR) simulation. However the crucial point is 'are current algorithms and software able to use these new technologies efficiently?' The resolution of large sparse linear systems, almost ill-conditioned, constitutes the most CPU-consuming part of such simulators. This paper proposes a survey on various solver and pre-conditioner algorithms, analyzes their efficiency and performance regarding these distinct architectures. Furthermore it proposes a novel approach based on a hybrid programming model for both GPU and many-core clusters. The proposed optimization techniques are validated through a Krylov subspace solver; BiCGStab and some pre-conditioners like ILU0 on GPU, multi-core and many-core architectures, on various large real study cases in EOR simulation. (authors)

  2. Uncertainty Quantification in Scale-Dependent Models of Flow in Porous Media: SCALE-DEPENDENT UQ

    Energy Technology Data Exchange (ETDEWEB)

    Tartakovsky, A. M. [Computational Mathematics Group, Pacific Northwest National Laboratory, Richland WA USA; Panzeri, M. [Dipartimento di Ingegneria Civile e Ambientale, Politecnico di Milano, Milano Italy; Tartakovsky, G. D. [Hydrology Group, Pacific Northwest National Laboratory, Richland WA USA; Guadagnini, A. [Dipartimento di Ingegneria Civile e Ambientale, Politecnico di Milano, Milano Italy

    2017-11-01

    Equations governing flow and transport in heterogeneous porous media are scale-dependent. We demonstrate that it is possible to identify a support scale $\\eta^*$, such that the typically employed approximate formulations of Moment Equations (ME) yield accurate (statistical) moments of a target environmental state variable. Under these circumstances, the ME approach can be used as an alternative to the Monte Carlo (MC) method for Uncertainty Quantification in diverse fields of Earth and environmental sciences. MEs are directly satisfied by the leading moments of the quantities of interest and are defined on the same support scale as the governing stochastic partial differential equations (PDEs). Computable approximations of the otherwise exact MEs can be obtained through perturbation expansion of moments of the state variables in orders of the standard deviation of the random model parameters. As such, their convergence is guaranteed only for the standard deviation smaller than one. We demonstrate our approach in the context of steady-state groundwater flow in a porous medium with a spatially random hydraulic conductivity.

  3. Fluid flow in porous media using image-based modelling to parametrize Richards' equation.

    Science.gov (United States)

    Cooper, L J; Daly, K R; Hallett, P D; Naveed, M; Koebernick, N; Bengough, A G; George, T S; Roose, T

    2017-11-01

    The parameters in Richards' equation are usually calculated from experimentally measured values of the soil-water characteristic curve and saturated hydraulic conductivity. The complex pore structures that often occur in porous media complicate such parametrization due to hysteresis between wetting and drying and the effects of tortuosity. Rather than estimate the parameters in Richards' equation from these indirect measurements, image-based modelling is used to investigate the relationship between the pore structure and the parameters. A three-dimensional, X-ray computed tomography image stack of a soil sample with voxel resolution of 6 μm has been used to create a computational mesh. The Cahn-Hilliard-Stokes equations for two-fluid flow, in this case water and air, were applied to this mesh and solved using the finite-element method in COMSOL Multiphysics. The upscaled parameters in Richards' equation are then obtained via homogenization. The effect on the soil-water retention curve due to three different contact angles, 0°, 20° and 60°, was also investigated. The results show that the pore structure affects the properties of the flow on the large scale, and different contact angles can change the parameters for Richards' equation.

  4. A Physically Based Analytical Model to Describe Effective Excess Charge for Streaming Potential Generation in Water Saturated Porous Media

    Science.gov (United States)

    Guarracino, L.; Jougnot, D.

    2018-01-01

    Among the different contributions generating self-potential, the streaming potential is of particular interest in hydrogeology for its sensitivity to water flow. Estimating water flux in porous media using streaming potential data relies on our capacity to understand, model, and upscale the electrokinetic coupling at the mineral-solution interface. Different approaches have been proposed to predict streaming potential generation in porous media. One of these approaches is the flux averaging which is based on determining the excess charge which is effectively dragged in the medium by water flow. In this study, we develop a physically based analytical model to predict the effective excess charge in saturated porous media using a flux-averaging approach in a bundle of capillary tubes with a fractal pore size distribution. The proposed model allows the determination of the effective excess charge as a function of pore water ionic concentration and hydrogeological parameters like porosity, permeability, and tortuosity. The new model has been successfully tested against different set of experimental data from the literature. One of the main findings of this study is the mechanistic explanation to the empirical dependence between the effective excess charge and the permeability that has been found by several researchers. The proposed model also highlights the link to other lithological properties, and it is able to reproduce the evolution of effective excess charge with electrolyte concentrations.

  5. Partition Function and Configurational Entropy in Non-Equilibrium States: A New Theoretical Model

    Directory of Open Access Journals (Sweden)

    Akira Takada

    2018-03-01

    Full Text Available A new model of non-equilibrium thermodynamic states has been investigated on the basis of the fact that all thermodynamic variables can be derived from partition functions. We have thus attempted to define partition functions for non-equilibrium conditions by introducing the concept of pseudo-temperature distributions. These pseudo-temperatures are configurational in origin and distinct from kinetic (phonon temperatures because they refer to the particular fragments of the system with specific energies. This definition allows thermodynamic states to be described either for equilibrium or non-equilibrium conditions. In addition; a new formulation of an extended canonical partition function; internal energy and entropy are derived from this new temperature definition. With this new model; computational experiments are performed on simple non-interacting systems to investigate cooling and two distinct relaxational effects in terms of the time profiles of the partition function; internal energy and configurational entropy.

  6. Non-equilibrium scaling analysis of the Kondo model with voltage bias

    International Nuclear Information System (INIS)

    Fritsch, Peter; Kehrein, Stefan

    2009-01-01

    The quintessential description of Kondo physics in equilibrium is obtained within a scaling picture that shows the buildup of Kondo screening at low temperature. For the non-equilibrium Kondo model with a voltage bias, the key new feature are decoherence effects due to the current across the impurity. In the present paper, we show how one can develop a consistent framework for studying the non-equilibrium Kondo model within a scaling picture of infinitesimal unitary transformations (flow equations). Decoherence effects appear naturally in third order of the β-function and dominate the Hamiltonian flow for sufficiently large voltage bias. We work out the spin dynamics in non-equilibrium and compare it with finite temperature equilibrium results. In particular, we report on the behavior of the static spin susceptibility including leading logarithmic corrections and compare it with the celebrated equilibrium result as a function of temperature.

  7. Interaction of pressure and momentum driven flows with thin porous media: Experiments and modeling

    Science.gov (United States)

    Naaktgeboren, Christian

    Flow interaction with thin porous media arise in a variety of natural and man-made settings. Examples include flow through thin grids in electronics cooling, and NOx emissions reduction by means of ammonia injection grids, pulsatile aquatic propulsion with complex trailing anatomy (e.g., jellyfish with tentacles) and microbursts from thunderstorm activity over dense vegetation, unsteady combustion in or near porous materials, pulsatile jet-drying of textiles, and pulsed jet agitation of clothing for trace contaminant sampling. Two types of interactions with thin porous media are considered: (i) forced convection or pressure-driven flows, where fluid advection is maintained by external forces, and (ii) inertial or momentum-driven flows, in which fluid motion is generated but not maintained by external forces. Forced convection analysis through thin permeable media using a porous continuum approach requires the knowledge of porous medium permeability and form coefficients, K and C, respectively, which are defined by the Hazen-Dupuit-Darcy (HDD) equation. Their determination, however, requires the measurement of the pressure-drop per unit of porous medium length. The pressure-drop caused by fluid entering and exiting the porous medium, however, is not related to the porous medium length. Hence, for situations in which the inlet and outlet pressure-drops are not negligible, e.g., for short porous media, the definition of Kand C via the HDD equation becomes ambiguous. This aspect is investigated analytically and numerically using the flow through a restriction in circular pipe and parallel plates channels as preliminary models. Results show that inlet and outlet pressure-drop effects become increasingly important when the inlet and outlet fluid surface fraction φ decreases and the Reynolds number Re increases for both laminar and turbulent flow regimes. A conservative estimate of the minimum porous medium length beyond which the core pressure-drop predominates over the

  8. Modelling Thomson scattering for systems with non-equilibrium electron distributions

    Directory of Open Access Journals (Sweden)

    Chapman D.A.

    2013-11-01

    Full Text Available We investigate the effect of non-equilibrium electron distributions in the analysis of Thomson scattering for a range of conditions of interest to inertial confinement fusion experiments. Firstly, a generalised one-component model based on quantum statistical theory is given in the random phase approximation (RPA. The Chihara expression for electron-ion plasmas is then adapted to include the new non-equilibrium electron physics. The theoretical scattering spectra for both diffuse and dense plasmas in which non-equilibrium electron distributions are expected to arise are considered. We find that such distributions strongly influence the spectra and are hence an important consideration for accurately determining the plasma conditions.

  9. A Generalized Hybrid Multiscale Modeling Approach for Flow and Reactive Transport in Porous Media

    Science.gov (United States)

    Yang, X.; Meng, X.; Tang, Y. H.; Guo, Z.; Karniadakis, G. E.

    2017-12-01

    Using emerging understanding of biological and environmental processes at fundamental scales to advance predictions of the larger system behavior requires the development of multiscale approaches, and there is strong interest in coupling models at different scales together in a hybrid multiscale simulation framework. A limited number of hybrid multiscale simulation methods have been developed for subsurface applications, mostly using application-specific approaches for model coupling. The proposed generalized hybrid multiscale approach is designed with minimal intrusiveness to the at-scale simulators (pre-selected) and provides a set of lightweight C++ scripts to manage a complex multiscale workflow utilizing a concurrent coupling approach. The workflow includes at-scale simulators (using the lattice-Boltzmann method, LBM, at the pore and Darcy scale, respectively), scripts for boundary treatment (coupling and kriging), and a multiscale universal interface (MUI) for data exchange. The current study aims to apply the generalized hybrid multiscale modeling approach to couple pore- and Darcy-scale models for flow and mixing-controlled reaction with precipitation/dissolution in heterogeneous porous media. The model domain is packed heterogeneously that the mixing front geometry is more complex and not known a priori. To address those challenges, the generalized hybrid multiscale modeling approach is further developed to 1) adaptively define the locations of pore-scale subdomains, 2) provide a suite of physical boundary coupling schemes and 3) consider the dynamic change of the pore structures due to mineral precipitation/dissolution. The results are validated and evaluated by comparing with single-scale simulations in terms of velocities, reactive concentrations and computing cost.

  10. The Matrix model, a driven state variables approach to non-equilibrium thermodynamics

    NARCIS (Netherlands)

    Jongschaap, R.J.J.

    2001-01-01

    One of the new approaches in non-equilibrium thermodynamics is the so-called matrix model of Jongschaap. In this paper some features of this model are discussed. We indicate the differences with the more common approach based upon internal variables and the more sophisticated Hamiltonian and GENERIC

  11. The immiscibles: Capillarity effects in porous media - Pore-network modelling. Geologica Ultraiectina (318)

    NARCIS (Netherlands)

    Joekar Niasar, V.

    2010-01-01

    Current theories of two-phase flow in porous media are based on the so-called extended Darcy’s law, and an algebraic relationship between capillary pressure and saturation. Both of these equations have been challenged in recent years, primarily based on theoretical works using a thermodynamic

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

    Science.gov (United States)

    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

  13. Destabilization, Propagation, and Generation of Surfactant-Stabilized Foam during Crude Oil Displacement in Heterogeneous Model Porous Media.

    Science.gov (United States)

    Xiao, Siyang; Zeng, Yongchao; Vavra, Eric D; He, Peng; Puerto, Maura; Hirasaki, George J; Biswal, Sibani L

    2018-01-23

    Foam flooding in porous media is of increasing interest due to its numerous applications such as enhanced oil recovery, aquifer remediation, and hydraulic fracturing. However, the mechanisms of oil-foam interactions have yet to be fully understood at the pore level. Here, we present three characteristic zones identified in experiments involving the displacement of crude oil from model porous media via surfactant-stabilized foam, and we describe a series of pore-level dynamics in these zones which were not observed in experiments involving paraffin oil. In the displacement front zone, foam coalesces upon initial contact with crude oil, which is known to destabilize the liquid lamellae of the foam. Directly upstream, a transition zone occurs where surface wettability is altered from oil-wet to water-wet. After this transition takes place, a strong foam bank zone exists where foam is generated within the porous media. We visualized each zone using a microfluidic platform, and we discuss the unique physicochemical phenomena that define each zone. In our analysis, we also provide an updated mechanistic understanding of the "smart rheology" of foam which builds upon simple "phase separation" observations in the literature.

  14. Colloid transport in saturated porous media: Elimination of attachment efficiency in a new colloid transport model

    Science.gov (United States)

    Landkamer, Lee L.; Harvey, Ronald W.; Scheibe, Timothy D.; Ryan, Joseph N.

    2013-01-01

    A colloid transport model is introduced that is conceptually simple yet captures the essential features of colloid transport and retention in saturated porous media when colloid retention is dominated by the secondary minimum because an electrostatic barrier inhibits substantial deposition in the primary minimum. This model is based on conventional colloid filtration theory (CFT) but eliminates the empirical concept of attachment efficiency. The colloid deposition rate is computed directly from CFT by assuming all predicted interceptions of colloids by collectors result in at least temporary deposition in the secondary minimum. Also, a new paradigm for colloid re-entrainment based on colloid population heterogeneity is introduced. To accomplish this, the initial colloid population is divided into two fractions. One fraction, by virtue of physiochemical characteristics (e.g., size and charge), will always be re-entrained after capture in a secondary minimum. The remaining fraction of colloids, again as a result of physiochemical characteristics, will be retained “irreversibly” when captured by a secondary minimum. Assuming the dispersion coefficient can be estimated from tracer behavior, this model has only two fitting parameters: (1) the fraction of the initial colloid population that will be retained “irreversibly” upon interception by a secondary minimum, and (2) the rate at which reversibly retained colloids leave the secondary minimum. These two parameters were correlated to the depth of the Derjaguin-Landau-Verwey-Overbeek (DLVO) secondary energy minimum and pore-water velocity, two physical forces that influence colloid transport. Given this correlation, the model serves as a heuristic tool for exploring the influence of physical parameters such as surface potential and fluid velocity on colloid transport.

  15. Comparing two non-equilibrium approaches to modelling of a free-burning arc

    International Nuclear Information System (INIS)

    Baeva, M; Uhrlandt, D; Benilov, M S; Cunha, M D

    2013-01-01

    Two models of high-pressure arc discharges are compared with each other and with experimental data for an atmospheric-pressure free-burning arc in argon for arc currents of 20–200 A. The models account for space-charge effects and thermal and ionization non-equilibrium in somewhat different ways. One model considers space-charge effects, thermal and ionization non-equilibrium in the near-cathode region and thermal non-equilibrium in the bulk plasma. The other model considers thermal and ionization non-equilibrium in the entire arc plasma and space-charge effects in the near-cathode region. Both models are capable of predicting the arc voltage in fair agreement with experimental data. Differences are observed in the arc attachment to the cathode, which do not strongly affect the near-cathode voltage drop and the total arc voltage for arc currents exceeding 75 A. For lower arc currents the difference is significant but the arc column structure is quite similar and the predicted bulk plasma characteristics are relatively close to each other. (paper)

  16. Spectral non-equilibrium property in homogeneous isotropic turbulence and its implication in subgrid-scale modeling

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Le [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); Zhu, Ying [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Liu, Yangwei, E-mail: liuyangwei@126.com [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Lu, Lipeng [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China)

    2015-10-09

    The non-equilibrium property in turbulence is a non-negligible problem in large-eddy simulation but has not yet been systematically considered. The generalization from equilibrium turbulence to non-equilibrium turbulence requires a clear recognition of the non-equilibrium property. As a preliminary step of this recognition, the present letter defines a typical non-equilibrium process, that is, the spectral non-equilibrium process, in homogeneous isotropic turbulence. It is then theoretically investigated by employing the skewness of grid-scale velocity gradient, which permits the decomposition of resolved velocity field into an equilibrium one and a time-reversed one. Based on this decomposition, an improved Smagorinsky model is proposed to correct the non-equilibrium behavior of the traditional Smagorinsky model. The present study is expected to shed light on the future studies of more generalized non-equilibrium turbulent flows. - Highlights: • A spectral non-equilibrium process in isotropic turbulence is defined theoretically. • A decomposition method is proposed to divide a non-equilibrium turbulence field. • An improved Smagorinsky model is proposed to correct the non-equilibrium behavior.

  17. Modeling chromatographic columns. Non-equilibrium packed-bed adsorption with non-linear adsorption isotherms

    NARCIS (Netherlands)

    Özdural, A.R.; Alkan, A.; Kerkhof, P.J.A.M.

    2004-01-01

    In this work a new mathematical model, based on non-equilibrium conditions, describing the dynamic adsorption of proteins in columns packed with spherical adsorbent particles is used to study the performance of chromatographic systems. Simulations of frontal chromatography, including axial

  18. Modelling of fluid flow in fractured porous media by the singular integral equations method

    International Nuclear Information System (INIS)

    Vu, M.N.

    2012-01-01

    This thesis aims to develop a method for numerical modelling of fluid flow through fractured porous media and for determination of their effective permeability by taking advantage of recent results based on formulation of the problem by Singular Integral Equations. In parallel, it was also an occasion to continue on the theoretical development and to obtain new results in this area. The governing equations for flow in such materials are reviewed first and mass conservation at the fracture intersections is expressed explicitly. Using the theory of potential, the general potential solutions are proposed in the form of a singular integral equation that describes the steady-state flow in and around several fractures embedded in an infinite porous matrix under a far-field pressure condition. These solutions represent the pressure field in the whole body as functions of the infiltration in the fractures, which fully take into account the fracture interaction and intersections. Closed-form solutions for the fundamental problem of fluid flow around a single fracture are derived, which are considered as the benchmark problems to validate the numerical solutions. In particular, the solution obtained for the case of an elliptical disc-shaped crack obeying to the Poiseuille law has been compared to that obtained for ellipsoidal inclusions with Darcy law.The numerical programs have been developed based on the singular integral equations method to resolve the general potential equations. These allow modeling the fluid flow through a porous medium containing a great number of fractures. Besides, this formulation of the problem also allows obtaining a semi-analytical infiltration solution over a single fracture depending on the matrice permeability, the fracture conductivity and the fracture geometry. This result is the important key to up-scaling the effective permeability of a fractured porous medium by using different homogenisation schemes. The results obtained by the self

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

    KAUST Repository

    Efendiev, Yalchin R.; Gildin, Eduardo; Yang, Yanfang

    2016-01-01

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

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

    KAUST Repository

    Efendiev, Yalchin R.

    2016-06-07

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

  1. Continuum model of non-equilibrium solvation and solvent effect on ultra-fast processes

    International Nuclear Information System (INIS)

    Li Xiangyuan; Fu Kexiang; Zhu Quan

    2006-01-01

    In the past 50 years, non-equilibrium solvation theory for ultra-fast processes such as electron transfer and light absorption/emission has attracted particular interest. A great deal of research efforts was made in this area and various models which give reasonable qualitative descriptions for such as solvent reorganization energy in electron transfer and spectral shift in solution, were developed within the framework of continuous medium theory. In a series of publications by the authors, we clarified that the expression of the non-equilibrium electrostatic free energy that is at the dominant position of non-equilibrium solvation and serves as the basis of various models, however, was incorrectly formulated. In this work, the authors argue that reversible charging work integration was inappropriately applied in the past to an irreversible path linking the equilibrium or the non-equilibrium state. Because the step from the equilibrium state to the nonequilibrium state is factually thermodynamically irreversible, the conventional expression for non-equilibrium free energy that was deduced in different ways is unreasonable. Here the authors derive the non-equilibrium free energy to a quite different form according to Jackson integral formula. Such a difference throws doubts to the models including the famous Marcus two-sphere model for solvent reorganization energy of electron transfer and the Lippert-Mataga equation for spectral shift. By introducing the concept of 'spring energy' arising from medium polarizations, the energy constitution of the non-equilibrium state is highlighted. For a solute-solvent system, the authors separate the total electrostatic energy into different components: the self-energies of solute charge and polarized charge, the interaction energy between them and the 'spring energy' of the solvent polarization. With detailed reasoning and derivation, our formula for non-equilibrium free energy can be reached through different ways. Based on the

  2. Modelling non-equilibrium thermodynamic systems from the speed-gradient principle.

    Science.gov (United States)

    Khantuleva, Tatiana A; Shalymov, Dmitry S

    2017-03-06

    The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed.This article is part of the themed issue 'Horizons of cybernetical physics'. © 2017 The Author(s).

  3. Filtration in Porous Media

    DEFF Research Database (Denmark)

    Yuan, Hao; Shapiro, Alexander

    There is a considerable and ongoing effort aimed at understanding the transport and the deposition of suspended particles in porous media, especially non-Fickian transport and non-exponential deposition of particles. In this work, the influential parameters in filtration models are studied...... to understand their effects on the non-Fickian transport and the non-exponential deposition. The filtration models are validated by the comparisons between the modelling results and the experimental data.The elliptic equation with distributed filtration coefficients may be applied to model non-Fickian transport...... and hyperexponential deposition. The filtration model accounting for the migration of surface associated particles may be applied for non-monotonic deposition....

  4. Advanced computational multi-fluid dynamics: a new model for understanding electrokinetic phenomena in porous media

    Science.gov (United States)

    Gulamali, M. Y.; Saunders, J. H.; Jackson, M. D.; Pain, C. C.

    2009-04-01

    We present results from a new computational multi-fluid dynamics code, designed to model the transport of heat, mass and chemical species during flow of single or multiple immiscible fluid phases through porous media, including gravitational effects and compressibility. The model also captures the electrical phenomena which may arise through electrokinetic, electrochemical and electrothermal coupling. Building on the advanced computational technology of the Imperial College Ocean Model, this new development leads the way towards a complex multiphase code using arbitrary unstructured and adaptive meshes, and domains decomposed to run in parallel over a cluster of workstations or a dedicated parallel computer. These facilities will allow efficient and accurate modelling of multiphase flows which capture large- and small-scale transport phenomena, while preserving the important geology and/or surface topology to make the results physically meaningful and realistic. Applications include modelling of contaminant transport in aquifers, multiphase flow during hydrocarbon production, migration of carbon dioxide during sequestration, and evaluation of the design and safety of nuclear reactors. Simulations of the streaming potential resulting from multiphase flow in laboratory- and field-scale models demonstrate that streaming potential signals originate at fluid fronts, and at geologic boundaries where fluid saturation changes. This suggests that downhole measurements of streaming potential may be used to inform production strategies in oil and gas reservoirs. As water encroaches on an oil production well, the streaming-potential signal associated with the water front encompasses the well even when the front is up to 100 m away, so the potential measured at the well starts to change significantly relative to a distant reference electrode. Variations in the geometry of the encroaching water front could be characterized using an array of electrodes positioned along the well

  5. A dual-porosity model for two-phase flow in deforming porous media

    Science.gov (United States)

    Shu, Zhengying

    Only recently has one realized the importance of the coupling of fluid flow with rock matrix deformations for accurately modeling many problems in petroleum, civil, environmental, geological and mining engineering. In the oil industry, problems such as reservoir compaction, ground subsidence, borehole stability and sanding need to be simulated using a coupled approach to make more precise predictions than when each process is considered to be independent of the other. Due to complications associated with multiple physical processes and mathematical representation of a multiphase now system in deformable fractured reservoirs, very few references, if any, are available in the literature. In this dissertation, an approach, which is based on the dual-porosity concept and takes into account rock deformations, is presented to derive rigorously a set of coupled differential equations governing the behavior of fractured porous media and two-phase fluid flow. The finite difference numerical method, as an alternative method for finite element, is applied to discretize the governing equations both in time and space domains. Throughout the derived set of equations, the fluid pressures and saturations as well as the solid displacements are considered as the primary unknowns. The model is tested against the case of single-phase flow in a 1-D consolidation problem for which analytical solutions are available. An example of coupled two-phase fluid flow and rock deformations for a scenario of a one-dimensional, fractured porous medium is also discussed. The numerical model and simulator, RFIA (Rock Fluid InterAction), developed in this dissertation can be a powerful tool to solve difficult problems not only in petroleum engineering such as ground subsidence, borehole stability and sand control, but also in civil engineering such as groundwater flow through fractured bedrock and in environmental engineering such as waste deposit concerns in fractured and unconsolidated formations

  6. Modeling and Control of an Ornithopter for Non-Equilibrium Maneuvers

    OpenAIRE

    Rose, Cameron Jarrel

    2015-01-01

    Flapping-winged flight is very complex, and it is difficult to efficiently model the unsteady airflow and nonlinear dynamics for online control. While steady state flight is well understood, transitions between flight regimes are not readily modeled or controlled. Maneuverability in non-equilibrium flight, which birds and insects readily exhibit in nature, is necessary to operate in the types of cluttered environments that small-scale flapping-winged robots are best suited for. The advantages...

  7. Reactive transport modeling in variably saturated porous media with OGS-IPhreeqc

    Science.gov (United States)

    He, W.; Beyer, C.; Fleckenstein, J. H.; Jang, E.; Kalbacher, T.; Shao, H.; Wang, W.; Kolditz, O.

    2014-12-01

    Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over

  8. Validation of vibration-dissociation coupling models in hypersonic non-equilibrium separated flows

    Science.gov (United States)

    Shoev, G.; Oblapenko, G.; Kunova, O.; Mekhonoshina, M.; Kustova, E.

    2018-03-01

    The validation of recently developed models of vibration-dissociation coupling is discussed in application to numerical solutions of the Navier-Stokes equations in a two-temperature approximation for a binary N2/N flow. Vibrational-translational relaxation rates are computed using the Landau-Teller formula generalized for strongly non-equilibrium flows obtained in the framework of the Chapman-Enskog method. Dissociation rates are calculated using the modified Treanor-Marrone model taking into account the dependence of the model parameter on the vibrational state. The solutions are compared to those obtained using traditional Landau-Teller and Treanor-Marrone models, and it is shown that for high-enthalpy flows, the traditional and recently developed models can give significantly different results. The computed heat flux and pressure on the surface of a double cone are in a good agreement with experimental data available in the literature on low-enthalpy flow with strong thermal non-equilibrium. The computed heat flux on a double wedge qualitatively agrees with available data for high-enthalpy non-equilibrium flows. Different contributions to the heat flux calculated using rigorous kinetic theory methods are evaluated. Quantitative discrepancy of numerical and experimental data is discussed.

  9. Thermal-hydraulic modeling of nanofluids as the coolant in VVER-1000 reactor core by the porous media approach

    International Nuclear Information System (INIS)

    Jahanfarnia, G.; Zarifi, E.; Veysi, F.

    2013-01-01

    The aim of this study was to perform a thermal-hydraulic analysis of nanofluids as coolant in the Bushehr VVER-1000 reactor core using the porous media approach. Water-based nanofluids containing various volume fractions of Al 2 O 3 and TiO 2 nanoparticles were analyzed. The conservation equations were discretized by the finite volume method and solved by numerical methods. To validate the approaches applied in this study, the results of the model and COBRA-EN code were compared for pure water. The achieved results show that the temperature of the coolant increases with the concentration of the nanoparticles. (authors)

  10. A physically-based analytical model to describe effective excess charge for streaming potential generation in saturated porous media

    Science.gov (United States)

    Jougnot, D.; Guarracino, L.

    2016-12-01

    The self-potential (SP) method is considered by most researchers the only geophysical method that is directly sensitive to groundwater flow. One source of SP signals, the so-called streaming potential, results from the presence of an electrical double layer at the mineral-pore water interface. When water flows through the pore space, it gives rise to a streaming current and a resulting measurable electrical voltage. Different approaches have been proposed to predict streaming potentials in porous media. One approach is based on the excess charge which is effectively dragged in the medium by the water flow. Following a recent theoretical framework, we developed a physically-based analytical model to predict the effective excess charge in saturated porous media. In this study, the porous media is described by a bundle of capillary tubes with a fractal pore-size distribution. First, an analytical relationship is derived to determine the effective excess charge for a single capillary tube as a function of the pore water salinity. Then, this relationship is used to obtain both exact and approximated expressions for the effective excess charge at the Representative Elementary Volume (REV) scale. The resulting analytical relationship allows the determination of the effective excess charge as a function of pore water salinity, fractal dimension and hydraulic parameters like porosity and permeability, which are also obtained at the REV scale. This new model has been successfully tested against data from the literature of different sources. One of the main finding of this study is that it provides a mechanistic explanation to the empirical dependence between the effective excess charge and the permeability that has been found by various researchers. The proposed petrophysical relationship also contributes to understand the role of porosity and water salinity on effective excess charge and will help to push further the use of streaming potential to monitor groundwater flow.

  11. First principles modeling of hydrocarbons conversion in non-equilibrium plasma

    Energy Technology Data Exchange (ETDEWEB)

    Deminsky, M.A.; Strelkova, M.I.; Durov, S.G.; Jivotov, V.K.; Rusanov, V.D.; Potapkin, B.V. [Russian Research Centre Kurchatov Inst., Moscow (Russian Federation)

    2001-07-01

    Theoretical justification of catalytic activity of non-equilibrium plasma in hydrocarbons conversion process is presented in this paper. The detailed model of highest hydrocarbons conversion includes the gas-phase reactions, chemistry of the growth of polycyclic aromatic hydrocarbons (PAHs), precursor of soot particles formation, neutral, charged clusters and soot particle formation, ion-molecular gas-phase and heterogeneous chemistry. The results of theoretical analysis are compared with experimental results. (authors)

  12. Two-temperature chemically non-equilibrium modelling of an air supersonic ICP

    Energy Technology Data Exchange (ETDEWEB)

    El Morsli, Mbark; Proulx, Pierre [Laboratoire de Modelisation de Procedes Chimiques par Ordinateur Oppus, Departement de Genie Chimique, Universite de Sherbrooke (Ciheam) J1K 2R1 (Canada)

    2007-08-21

    In this work, a non-equilibrium mathematical model for an air inductively coupled plasma torch with a supersonic nozzle is developed without making thermal and chemical equilibrium assumptions. Reaction rate equations are written, and two coupled energy equations are used, one for the calculation of the translational-rotational temperature T{sub hr} and one for the calculation of the electro-vibrational temperature T{sub ev}. The viscous dissipation is taken into account in the translational-rotational energy equation. The electro-vibrational energy equation also includes the pressure work of the electrons, the Ohmic heating power and the exchange due to elastic collision. Higher order approximations of the Chapman-Enskog method are used to obtain better accuracy for transport properties, taking advantage of the most recent sets of collisions integrals available in the literature. The results obtained are compared with those obtained using a chemical equilibrium model and a one-temperature chemical non-equilibrium model. The influence of the power and the pressure chamber on the chemical and thermal non-equilibrium is investigated.

  13. Simulating microtransport in realistic porous media

    NARCIS (Netherlands)

    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

  14. Particle and solute migration in porous media. Modeling of simultaneous transport of clay particles and radionuclides in a salinity gradient

    International Nuclear Information System (INIS)

    Faure, M.H.

    1994-03-01

    Understanding the mechanisms which control the transient transport of particles and radionuclides in natural and artificial porous media is a key problem for the assessment of safety of radioactive waste disposals. An experimental study has been performed to characterize the clayey particle mobility in porous media: a laboratory- made column, packed with an unconsolidated sand bentonite (5% weight) sample, is flushed with a salt solution. An original method of salinity gradient allowed us to show and to quantify some typical behaviours of this system: threshold effects in the peptization of particles, creation of preferential pathways, formation of immobile water zones induce solute-transfer limitation. The mathematical modelling accounts for a phenomenological law, where the distribution of particles between the stagnant water zone and the porous medium is a function of sodium chloride concentration. This distribution function is associated with a radionuclide adsorption model, and is included in a convective dispersive transport model with stagnant water zones. It allowed us to simulate the particle and solute transport when the salt environment is modified. The complete model has been validated with experiments involving cesium, calcium and neptunium in a sodium chloride gradient. (author). refs., figs., tabs

  15. Post-CHF heat transfer: a non-equilibrium, relaxation model

    International Nuclear Information System (INIS)

    Jones, O.C. Jr.; Zuber, N.

    1977-01-01

    Existing phenomenological models of heat transfer in the non-equilibrium, liquid-deficient, dispersed flow regime can sometimes predict the thermal behavior fairly well but are quite complex, requiring coupled simultaneous differential equations to describe the axial gradients of mass and energy along with those of droplet acceleration and size. In addition, empirical relations are required to express the droplet breakup and increased effective heat transfer due to holdup. This report describes the development of a different approach to the problem. It is shown that the non-equilibrium component of the total energy can be expressed as a first order, inhomogeneous relaxation equation in terms of one variable coefficient termed the Superheat Relaxation number. A demonstration is provided to show that this relaxation number can be correlated using local variables in such a manner to allow the single non-equilibrium equation to accurately calculate the effects of mass velocity and heat flux along with tube length, diameter, and critical quality for equilibrium qualities from 0.13 to over 3.0

  16. The impact of intermediate wet states on two-phase flow in porous media, studied by network modelling

    Energy Technology Data Exchange (ETDEWEB)

    Hoeiland, Linda Kaada

    2006-04-15

    Reservoir wettability is a measure of a rocks preference for the oil and/or the brine phase. Wettability has a dominant impact on fluid movements in porous media, hence oil displacement in reservoir rocks. Understanding the local wettability and the effect of wettability on the fluid movements are therefore of interest in relation to oil recovery processes. Contrary to the earlier believed homogenous wetted cases where the porous media was strongly oil-wet for carbonate reservoirs or strongly water-wet for clastic reservoirs, it is now believed that most reservoir rocks experience some kind of intermediate wet state. Since wettability affects oil recovery, different classes of intermediate wettability are expected to have different impacts on the fluid flow processes. The major subject treated in this thesis is how different intermediate wet states affect fluid flow parameters which are important for the oil recovery. This is done by use of a capillary dominated network model of two-phase flow, where the network is based on a model of reconstructed sandstone. The existence of different intermediate wet classes is argued in Paper I, while Paper II, III and IV analyse the effect different intermediate wet classes have on wettability indices, residual oil saturation, capillary pressure and relative permeability (author)

  17. Estuarine Facies Model Revisited: Conceptual Model of Estuarine Sediment Dynamics During Non-Equilibrium Conditions

    Science.gov (United States)

    Elliott, E. A.; Rodriguez, A. B.; McKee, B. A.

    2017-12-01

    Traditional models of estuarine systems show deposition occurs primarily within the central basin. There, accommodation space is high within the deep central valley, which is below regional wave base and where current energy is presumed to reach a relative minimum, promoting direct deposition of cohesive sediment and minimizing erosion. However, these models often reflect long-term (decadal-millennial) timescales, where accumulation rates are in relative equilibrium with the rate of relative sea-level rise, and lack the resolution to capture shorter term changes in sediment deposition and erosion within the central estuary. This work presents a conceptual model for estuarine sedimentation during non-equilibrium conditions, where high-energy inputs to the system reach a relative maximum in the central basin, resulting in temporary deposition and/or remobilization over sub-annual to annual timescales. As an example, we present a case study of Core Sound, NC, a lagoonal estuarine system where the regional base-level has been reached, and sediment deposition, resuspension and bypassing is largely a result of non-equilibrium, high-energy events. Utilizing a 465 cm-long sediment core from a mini-basin located between Core Sound and the continental shelf, a 40-year sub-annual chronology was developed for the system, with sediment accumulation rates (SAR) interpolated to a monthly basis over the 40-year record. This study links erosional processes in the estuary directly with sediment flux to the continental shelf, taking advantage of the highly efficient sediment trapping capability of the mini-basin. The SAR record indicates high variation in the estuarine sediment supply, with peaks in the SAR record at a recurrence interval of 1 year (+/- 0.25). This record has been compared to historical storm influence for the area. Through this multi-decadal record, sediment flushing events occur at a much more frequent interval than previously thought (i.e. annual rather than

  18. Subsurface Flow Modeling in Single and Dual Continuum Anisotropic Porous Media using the Multipoint Flux Approximation Method

    KAUST Repository

    Negara, Ardiansyah

    2015-05-01

    Anisotropy of hydraulic properties of the subsurface geologic formations is an essential feature that has been established as a consequence of the different geologic processes that undergo during the longer geologic time scale. With respect to subsurface reservoirs, in many cases, anisotropy plays significant role in dictating the direction of flow that becomes no longer dependent only on driving forces like the pressure gradient and gravity but also on the principal directions of anisotropy. Therefore, there has been a great deal of motivation to consider anisotropy into the subsurface flow and transport models. In this dissertation, we present subsurface flow modeling in single and dual continuum anisotropic porous media, which include the single-phase groundwater flow coupled with the solute transport in anisotropic porous media, the two-phase flow with gravity effect in anisotropic porous media, and the natural gas flow in anisotropic shale reservoirs. We have employed the multipoint flux approximation (MPFA) method to handle anisotropy in the flow model. The MPFA method is designed to provide correct discretization of the flow equations for general orientation of the principal directions of the permeability tensor. The implementation of MPFA method is combined with the experimenting pressure field approach, a newly developed technique that enables the solution of the global problem breaks down into the solution of multitude of local problems. The numerical results of the study demonstrate the significant effects of anisotropy of the subsurface formations. For the single-phase groundwater flow coupled with the solute transport modeling in anisotropic porous media, the results shows the strong impact of anisotropy on the pressure field and the migration of the solute concentration. For the two-phase flow modeling with gravity effect in anisotropic porous media, it is observed that the buoyancy-driven flow, which emerges due to the density differences between the

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

    Science.gov (United States)

    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

  20. Numerical investigation of vapor–liquid heat and mass transfer in porous media

    International Nuclear Information System (INIS)

    Xin, Chengyun; Rao, Zhonghao; You, Xinyu; Song, Zhengchang; Han, Dongtai

    2014-01-01

    Highlights: • The heat and mass transfer behaviors in porous media was investigated. • A modified separate flow model (MSFM) was developed. • The influence of heat flux direction on heat and fluid flow behaviors is great. • The saturation profile is weakly discontinuous on the phase interface. • A countercurrent flow exists in two-phase region. - Abstract: A modified separate flow model (MSFM) is developed to numerically investigate the heat and mass transfer behaviors in porous media in this paper. In the MSFM, the effects of capillarity, liquid phase change, nonisothermal two-phase region and the local thermal non-equilibrium (LTNE) are considered. The vapor and liquid velocities are both converted into intermediate variables in the simulations and conveniently convergent solutions are obtained because a special upwind scheme for the convection or boiling heat transfer source and variable convergence factors are simultaneously employed. Two typical numerical examples with a one-dimension model of porous media are studied that the high heat fluxes are vertical and parallel to the fluid flow direction, respectively. And the results indicated that the influence of heat flux direction on heat and fluid flow behaviors in porous media is great. The nonisothermal phenomenon in the two-phase region is obvious for the former while the LTNE phenomenon is remarkable in the two-phase region for the latter. The results also showed several similar behaviors that the saturation profile is weakly discontinuous on the phase interface and a countercurrent flow exists in two-phase region

  1. On a unified presentation of the non-equilibrium two-phase flow models

    International Nuclear Information System (INIS)

    Boure, J.A.

    1975-01-01

    If the various existing one-dimensional two-phase flow models are consistent, they must appear as particular cases of more general models. It is shown that such is the case if, and only if, the mathematical form of the laws of the transfers between the phases is sufficiently general. These transfer laws control the non-equilibrium phenomena. A convenient general model is a particular form of the two-fluid model. This particular form involves three equations and three dependent variables characterizing the mixture, and three equations and three dependent variables characterizing the differences between the phases (slip, thermal non-equilibriums). The mathematical expressions of the transfert terms present in the above equations involve first-order partial derivatives of the dependent variables. The other existing models may be deduced from the general model by making assumptions on the fluid evolution. Several examples are given. The resulting unified presentation of the existing model enables a comparison of the implicit assumptions made in these models on the transfer laws. It is therefore, a useful tool for the appraisal of the existing models and for the development of new models [fr

  2. Electron-Impact Excitation Cross Sections for Modeling Non-Equilibrium Gas

    Science.gov (United States)

    Huo, Winifred M.; Liu, Yen; Panesi, Marco; Munafo, Alessandro; Wray, Alan; Carbon, Duane F.

    2015-01-01

    In order to provide a database for modeling hypersonic entry in a partially ionized gas under non-equilibrium, the electron-impact excitation cross sections of atoms have been calculated using perturbation theory. The energy levels covered in the calculation are retrieved from the level list in the HyperRad code. The downstream flow-field is determined by solving a set of continuity equations for each component. The individual structure of each energy level is included. These equations are then complemented by the Euler system of equations. Finally, the radiation field is modeled by solving the radiative transfer equation.

  3. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

    Science.gov (United States)

    Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

    2015-04-01

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  4. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures.

    Science.gov (United States)

    Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

    2015-04-07

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  5. Simulation results for a multirate mass transfer modell for immiscible displacement of two fluids in highly heterogeneous porous media

    Science.gov (United States)

    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. Modeling the Impact of Deformation on Unstable Miscible Displacements in Porous Media

    Science.gov (United States)

    Santillán, D.; Cueto-Felgueroso, L.

    2014-12-01

    Coupled flow and geomechanics is a critical research challenge in engineering and the geosciences. The simultaneous flow of two or more fluids with different densities or viscosities through deformable media is ubiquitous in environmental, industrial, and biological processes, including the removal of non-aqueous phase liquids from underground water bodies, the geological storage of CO2, and current challenges in energy technologies, such as enhanced geothermal systems, unconventional hydrocarbon resources or enhanced oil recovery techniques. Using numerical simulation, we study the interplay between viscous-driven flow instabilities (viscous fingering) and rock mechanics, and elucidate the structure of the displacement patterns as a function of viscosity contrast, injection rate and rock mechanical properties. Finally, we discuss the role of medium deformation on transport and mixing processes in porous media.

  7. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yen, E-mail: yen.liu@nasa.gov; Vinokur, Marcel [NASA Ames Research Center, Moffett Field, California 94035 (United States); Panesi, Marco; Sahai, Amal [University of Illinois, Urbana-Champaign, Illinois 61801 (United States)

    2015-04-07

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  8. General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

    International Nuclear Information System (INIS)

    Liu, Yen; Vinokur, Marcel; Panesi, Marco; Sahai, Amal

    2015-01-01

    This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

  9. NON-EQUILIBRIUM IONIZATION MODELING OF THE CURRENT SHEET IN A SIMULATED SOLAR ERUPTION

    International Nuclear Information System (INIS)

    Shen Chengcai; Reeves, Katharine K.; Raymond, John C.; Murphy, Nicholas A.; Ko, Yuan-Kuen; Lin Jun; Mikić, Zoran; Linker, Jon A.

    2013-01-01

    The current sheet that extends from the top of flare loops and connects to an associated flux rope is a common structure in models of coronal mass ejections (CMEs). To understand the observational properties of CME current sheets, we generated predictions from a flare/CME model to be compared with observations. We use a simulation of a large-scale CME current sheet previously reported by Reeves et al. This simulation includes ohmic and coronal heating, thermal conduction, and radiative cooling in the energy equation. Using the results of this simulation, we perform time-dependent ionization calculations of the flow in a CME current sheet and construct two-dimensional spatial distributions of ionic charge states for multiple chemical elements. We use the filter responses from the Atmospheric Imaging Assembly (AIA) on the Solar Dynamics Observatory and the predicted intensities of emission lines to compute the count rates for each of the AIA bands. The results show differences in the emission line intensities between equilibrium and non-equilibrium ionization. The current sheet plasma is underionized at low heights and overionized at large heights. At low heights in the current sheet, the intensities of the AIA 94 Å and 131 Å channels are lower for non-equilibrium ionization than for equilibrium ionization. At large heights, these intensities are higher for non-equilibrium ionization than for equilibrium ionization inside the current sheet. The assumption of ionization equilibrium would lead to a significant underestimate of the temperature low in the current sheet and overestimate at larger heights. We also calculate the intensities of ultraviolet lines and predict emission features to be compared with events from the Ultraviolet Coronagraph Spectrometer on the Solar and Heliospheric Observatory, including a low-intensity region around the current sheet corresponding to this model

  10. The lagRST Model: A Turbulence Model for Non-Equilibrium Flows

    Science.gov (United States)

    Lillard, Randolph P.; Oliver, A. Brandon; Olsen, Michael E.; Blaisdell, Gregory A.; Lyrintzis, Anastasios S.

    2011-01-01

    This study presents a new class of turbulence model designed for wall bounded, high Reynolds number flows with separation. The model addresses deficiencies seen in the modeling of nonequilibrium turbulent flows. These flows generally have variable adverse pressure gradients which cause the turbulent quantities to react at a finite rate to changes in the mean flow quantities. This "lag" in the response of the turbulent quantities can t be modeled by most standard turbulence models, which are designed to model equilibrium turbulent boundary layers. The model presented uses a standard 2-equation model as the baseline for turbulent equilibrium calculations, but adds transport equations to account directly for non-equilibrium effects in the Reynolds Stress Tensor (RST) that are seen in large pressure gradients involving shock waves and separation. Comparisons are made to several standard turbulence modeling validation cases, including an incompressible boundary layer (both neutral and adverse pressure gradients), an incompressible mixing layer and a transonic bump flow. In addition, a hypersonic Shock Wave Turbulent Boundary Layer Interaction with separation is assessed along with a transonic capsule flow. Results show a substantial improvement over the baseline models for transonic separated flows. The results are mixed for the SWTBLI flows assessed. Separation predictions are not as good as the baseline models, but the over prediction of the peak heat flux downstream of the reattachment shock that plagues many models is reduced.

  11. Numerical modeling of contaminant transport in fractured porous media using mixed finite-element and finitevolume methods

    KAUST Repository

    Dong, Chen

    2011-01-01

    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., the mixed finite-element (MFE) method and the finite-volume method. Adaptive triangle mesh is used for effective treatment of the fractures. A hybrid MFE method is employed to provide an accurate approximation of velocity fields for both the fractures and matrix, which are crucial to the convection part of the transport equation. The finite-volume method and the standard MFE method are used to approximate the convection and dispersion terms, respectively. The temporary evolution for the pressure distributions, streamline fields, and concentration profiles are obtained for six different arrangements of fractures. The results clearly show the distorted concentration effects caused by the ordered and disordered (random) patterns of the fractures and illustrate the robustness and efficiency of the proposed numerical model. © 2011 by Begell House Inc.

  12. Two-temperature chemically non-equilibrium modelling of transferred arcs

    International Nuclear Information System (INIS)

    Baeva, M; Kozakov, R; Gorchakov, S; Uhrlandt, D

    2012-01-01

    A two-temperature chemically non-equilibrium model describing in a self-consistent manner the heat transfer, the plasma chemistry, the electric and magnetic field in a high-current free-burning arc in argon has been developed. The model is aimed at unifying the description of a thermionic tungsten cathode, a flat copper anode, and the arc plasma including the electrode sheath regions. The heat transfer in the electrodes is coupled to the plasma heat transfer considering the energy fluxes onto the electrode boundaries with the plasma. The results of the non-equilibrium model for an arc current of 200 A and an argon flow rate of 12 slpm are presented along with results obtained from a model based on the assumption of local thermodynamic equilibrium (LTE) and from optical emission spectroscopy. The plasma shows a near-LTE behaviour along the arc axis and in a region surrounding the axis which becomes wider towards the anode. In the near-electrode regions, a large deviation from LTE is observed. The results are in good agreement with experimental findings from optical emission spectroscopy. (paper)

  13. Porous media modeling and micro-structurally motivated material moduli determination via the micro-dilatation theory

    Science.gov (United States)

    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.

  14. Foams in porous media

    Energy Technology Data Exchange (ETDEWEB)

    Marsden, S.S.

    1986-07-01

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

  15. Numerical Modeling of Anaerobic Microzones Development in Bulk Oxic Porous Media: An Assessment of Different Microzone Formation Processes

    Science.gov (United States)

    Roy Chowdhury, S.; Zarnetske, J. P.; Briggs, M. A.; Day-Lewis, F. D.; Singha, K.

    2017-12-01

    Soil and groundwater research indicates that unique biogeochemical "microzones" commonly form within bulk soil masses. The formation of these microzones at the pore-scale has been attributed to a number of causes, including variability of in situ carbon or nutrient sources, intrinsic physical conditions that lead to dual-porosity and mass transfer conditions, or microbial bioclogging of the porous media. Each of these causes, while documented in different porous media systems, potentially can lead to the presence of anaerobic pores residing in a bulk oxic domain. The relative role of these causes operating independently or in conjunction with each other to form microzones is not known. Here, we use a single numerical modeling framework to assess the relative roles of each process in creating anaerobic microzones. Using a two-dimensional pore-network model, coupled with a microbial growth model based on Monod kinetics, simulations were performed to explore the development of these anoxic microzones and their fate under a range of hydrologic, nutrient, and microbial conditions. Initial results parameterized for a stream-groundwater exchange environment (i.e., a hyporheic zone) indicate that external forcing of fluid flux in the domain is a key soil characteristic to anaerobic microzone development as fluid flux governs the nutrient flux. The initial amount of biomass present in the system also plays a major role in the development of the microzones. In terms of dominant in situ causes, the intrinsic physical structure of the local pore space is found to play the key role in development of anaerobic sites by regulating fluxes to reaction sites. Acknowledging and understanding the drivers of these microzones will improve the ability of multiple disciplines to measure and model reactive mass transport in soils and assess if they play a significant role for particular biogeochemical processes and ecosystem functions, such as denitrification and greenhouse gas production.

  16. State-to-state modeling of non-equilibrium air nozzle flows

    Science.gov (United States)

    Nagnibeda, E.; Papina, K.; Kunova, O.

    2018-05-01

    One-dimensional non-equilibrium air flows in nozzles are studied on the basis of the state-to-state description of vibrational-chemical kinetics. Five-component mixture N2/O2/NO/N/O is considered taking into account Zeldovich exchange reactions of NO formation, dissociation, recombination and vibrational energy transitions. The equations for vibrational and chem-ical kinetics in a flow are coupled to the conservation equations of momentum and total energy and solved numerically for different conditions in a nozzle throat. The vibrational distributions of nitrogen and oxygen molecules, number densities of species as well as the gas temperature and flow velocity along a nozzle axis are analysed using the detailed state-to-state flow description and in the frame of the simplified one-temperature thermal equilibrium kinetic model. The comparison of the results showed the influence of non-equilibrium kinetics on macroscopic nozzle flow parameters. In the state-to-state approach, non-Boltzmann vibrational dis-tributions of N2 and O2 molecules with a plateau part at intermediate levels are found. The results are found with the use of the complete and simplified schemes of reactions and the impact of exchange reactions, dissociation and recombination on variation of vibrational level populations, mixture composition, gas velocity and temperature along a nozzle axis is shown.

  17. A tightly coupled non-equilibrium model for inductively coupled radio-frequency plasmas

    International Nuclear Information System (INIS)

    Munafò, A.; Alfuhaid, S. A.; Panesi, M.; Cambier, J.-L.

    2015-01-01

    The objective of the present work is the development of a tightly coupled magneto-hydrodynamic model for inductively coupled radio-frequency plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State approach. A multi-temperature formulation is used to account for thermal non-equilibrium between translation of heavy-particles and vibration of molecules. Excited electronic states of atoms are instead treated as separate pseudo-species, allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature. The governing equations for the electro-magnetic field and the gas properties (e.g., chemical composition and temperatures) are written as a coupled system of time-dependent conservation laws. Steady-state solutions are obtained by means of an implicit Finite Volume method. The results obtained in both LTE and NLTE conditions over a broad spectrum of operating conditions demonstrate the robustness of the proposed coupled numerical method. The analysis of chemical composition and temperature distributions along the torch radius shows that: (i) the use of the LTE assumption may lead to an inaccurate prediction of the thermo-chemical state of the gas, and (ii) non-equilibrium phenomena play a significant role close the walls, due to the combined effects of Ohmic heating and macroscopic gradients

  18. Novel non-equilibrium modelling of a DC electric arc in argon

    Science.gov (United States)

    Baeva, M.; Benilov, M. S.; Almeida, N. A.; Uhrlandt, D.

    2016-06-01

    A novel non-equilibrium model has been developed to describe the interplay of heat and mass transfer and electric and magnetic fields in a DC electric arc. A complete diffusion treatment of particle fluxes, a generalized form of Ohm’s law, and numerical matching of the arc plasma with the space-charge sheaths adjacent to the electrodes are applied to analyze in detail the plasma parameters and the phenomena occurring in the plasma column and the near-electrode regions of a DC arc generated in atmospheric pressure argon for current levels from 20 A up to 200 A. Results comprising electric field and potential, current density, heating of the electrodes, and effects of thermal and chemical non-equilibrium are presented and discussed. The current-voltage characteristic obtained is in fair agreement with known experimental data. It indicates a minimum for arc current of about 80 A. For all current levels, a field reversal in front of the anode accompanied by a voltage drop of (0.7-2.6) V is observed. Another field reversal is observed near the cathode for arc currents below 80 A.

  19. Novel non-equilibrium modelling of a DC electric arc in argon

    International Nuclear Information System (INIS)

    Baeva, M; Uhrlandt, D; Benilov, M S; Almeida, N A

    2016-01-01

    A novel non-equilibrium model has been developed to describe the interplay of heat and mass transfer and electric and magnetic fields in a DC electric arc. A complete diffusion treatment of particle fluxes, a generalized form of Ohm’s law, and numerical matching of the arc plasma with the space-charge sheaths adjacent to the electrodes are applied to analyze in detail the plasma parameters and the phenomena occurring in the plasma column and the near-electrode regions of a DC arc generated in atmospheric pressure argon for current levels from 20 A up to 200 A. Results comprising electric field and potential, current density, heating of the electrodes, and effects of thermal and chemical non-equilibrium are presented and discussed. The current–voltage characteristic obtained is in fair agreement with known experimental data. It indicates a minimum for arc current of about 80 A. For all current levels, a field reversal in front of the anode accompanied by a voltage drop of (0.7–2.6) V is observed. Another field reversal is observed near the cathode for arc currents below 80 A. (paper)

  20. Near-wall extension of a non-equilibrium, omega-based Reynolds stress model

    International Nuclear Information System (INIS)

    Nguyen, Tue; Behr, Marek; Reinartz, Birgit

    2011-01-01

    In this paper, the development of a new ω-based Reynolds stress model that is consistent with asymptotic analysis in the near wall region and with rapid distortion theory in homogeneous turbulence is reported. The model is based on the SSG/LRR-ω model developed by Eisfeld (2006) with three main modifications. Firstly, the near wall behaviors of the redistribution, dissipation and diffusion terms are modified according to the asymptotic analysis and a new blending function based on low Reynolds number is proposed. Secondly, an anisotropic dissipation tensor based on the Reynolds stress inhomogeneity (Jakirlic et al., 2007) is used instead of the original isotropic model. Lastly, the SSG redistribution term, which is activated far from the wall, is replaced by Speziale's non-equilibrium model (Speziale, 1998).

  1. Cotransport of Herbaspirillum chlorophenolicum FA1 and heavy metals in saturated porous media: column studies and modeling approaches

    Science.gov (United States)

    Li, X.; Xu, H.; Wu, J.

    2017-12-01

    For in situ biodegradation of organic contaminants in soil and groundwater, precise prediction and monitoring of the movement of the bio-agent is vital for the effectiveness of the subsurface bioremediation technologies. Therefore, the fate and transport of functional microorganisms in porous media has been extensively investigated in the literature, and the effects of a number of physical and chemical factors have been explored. During the bioremediation of contaminated sites, it is highly likely that functional bacteria and heavy metals would be simultaneously present for heavy metals often co-exist with organic contaminants like polycyclic aromatic hydrocarbons (PAHs) in polluted environment. To date, relevant studies on the interactions between heavy metals and functional agents such as PAHs-degrading bacteria are lacking and thus require investigation. In this study, the cotransport of bioremediation agents and heavy metals were evaluated through batch and column experiments. Herbaspirillum chlorophenolicum FA1, a pure bacterial strain capable of absorbing heavy metals and degrading polycyclic aromatic hydrocarbons (PAHs), was used as the model remediation agent, and metal ions of Pb(Ⅱ) and Cd(Ⅱ) were used as the representative heavy metals. Effects of metal species, the concentration of heavy metals, the sequence of entering the media, and the activity of biomass were investigated in detail. In addition, numerical simulations of breakthrough curves (BTC) data were also performed for information gathering. Results of this study could advance our understanding of interactions between functional bacteria and heavy metals during bioremediation process and help to develop successful bioremediation strategies.This work was financially supported by the National Natural Science Foundation of China -Xinjiang Project (U1503282), the National Natural Science Foundation of China (41030746, 41102148), and the Natural Science Foundation of Jiangsu Province (BK20151385

  2. Pore-network model of evaporation-induced salt precipitation in porous media: The effect of correlations and heterogeneity

    Science.gov (United States)

    Dashtian, Hassan; Shokri, Nima; Sahimi, Muhammad

    2018-02-01

    Salt transport and precipitation in porous media constitute a set of complex and fascinating phenomena that are of considerable interest to several important problems, ranging from storage of CO2 in geological formations, to soil fertility, and protection of pavements and roads, as well as historical monuments. The phenomena occur at the pore scale and are greatly influenced by the heterogeneity of the pore space morphology. We present a pore-network (PN) model to study the phenomena. Vapor diffusion, capillary effect at the brine-vapor interface, flow of brine, and transport of salt and its precipitation in the pores that plug the pores partially or completely are all accounted for. The drying process is modeled by the invasion percolation, while transport of salt in brine is accounted for by the convective-diffusion equation. We demonstrate that the drying patterns, the clustering and connectivity of the pore throats in which salt precipitation occurs, the saturation distribution, and the drying rate are all strongly dependent upon the pore-size distribution, the correlations among the pore sizes, and the anisotropy of the pore space caused by stratification that most natural porous media contain. In particular, if the strata are more or less parallel to the direction of injection of the gas that dries out the pore space (air, for example) and/or causes salt precipitation (CO2, for example), the drying rate increases significantly. Moreover, salt tends to precipitate in clusters of neighboring pores that are parallel to the open surface of the porous medium.

  3. Microscopic Simulation and Macroscopic Modeling for Thermal and Chemical Non-Equilibrium

    Science.gov (United States)

    Liu, Yen; Panesi, Marco; Vinokur, Marcel; Clarke, Peter

    2013-01-01

    This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. The model is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical twotemperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.

  4. Phenomenological model for non-equilibrium deuteron emission in nucleon induced reactions

    International Nuclear Information System (INIS)

    Broeders, C.H.M.; Konobeyev, A.Yu.

    2005-01-01

    A new approach is proposed for the calculation of non-equilibrium deuteron energy distributions in nuclear reactions induced by nucleons of intermediate energies. It combines the model of the nucleon pick-up, the coalescence and the deuteron knock-out. Emission and absorption rates for excited particles are described by the pre-equilibrium hybrid model. The model of Sato, Iwamoto, Harada is used to describe the nucleon pick-up and the coalescence of nucleons from the exciton configurations starting from (2p, 1h). The model of deuteron knock-out is formulated taking into account the Pauli principle for the nucleon-deuteron interaction inside a nucleus. The contribution of the direct nucleon pick-up is described phenomenologically. The multiple pre-equilibrium emission of particles is taken into account. The calculated deuteron energy distributions are compared with experimental data from 12 C to 209 Bi. (orig.)

  5. Colloidal suspensions hydrodynamic retention mechanisms in model porous media; Mecanismes de retention hydrodynamique de suspensions colloidales en milieux poreux modeles

    Energy Technology Data Exchange (ETDEWEB)

    Salehi, N

    1996-04-19

    This study deals with the retention mechanisms of colloidal particles in porous media flows, and the subsequent reduction in permeability in the case of stable and non adsorbing colloids. It combines experimental results and modelling. This study has been realised with stable dispersion of monodispersed carboxylate polystyrene latexes negatively charged injected through negatively charged polycarbonate membranes having mono-sized cylindrical pores. The mean particle diameter is smaller than the mean pore diameter. Both batch and flow experiments in Nuclepore membranes have been done. The results of batch experiments have proved no adsorption of the colloidal latex particles on the surface of the Nuclepore membranes without flow at low salinity. In flow experiments at low particle concentration, only deposition on the upstream side of the membrane have been induced by hydrodynamic forces even for non adsorbing particles without creating any permeability reduction. The retention levels are zero at low and high Peclet numbers with a maximum at intermediate values. Partial plugging was observed at higher colloid concentration even at low salinity without any upstream surface deposition. The modelling of plugging processes is achieved by considering the particle concentration, fluid rate and ratio between the mean pore diameter and the mean particle diameter. This study can be particularly useful in the fields of water treatment and of restoration of lands following radioactive contamination. (author). 96 refs., 99 figs., 29 tabs.

  6. Electrokinetics in porous media

    NARCIS (Netherlands)

    Luong, D.T.

    2014-01-01

    This thesis presents the PhD research on electrokinetics in porous media. Electrokinetic phenomena are induced by the relative motion between a fluid and a solid surface and are directly related to the existence of an electric double layer between the fluid and the solid grain surface.

  7. Entropy analysis on non-equilibrium two-phase flow models

    International Nuclear Information System (INIS)

    Karwat, H.; Ruan, Y.Q.

    1995-01-01

    A method of entropy analysis according to the second law of thermodynamics is proposed for the assessment of a class of practical non-equilibrium two-phase flow models. Entropy conditions are derived directly from a local instantaneous formulation for an arbitrary control volume of a structural two-phase fluid, which are finally expressed in terms of the averaged thermodynamic independent variables and their time derivatives as well as the boundary conditions for the volume. On the basis of a widely used thermal-hydraulic system code it is demonstrated with practical examples that entropy production rates in control volumes can be numerically quantified by using the data from the output data files. Entropy analysis using the proposed method is useful in identifying some potential problems in two-phase flow models and predictions as well as in studying the effects of some free parameters in closure relationships

  8. Overshoot in biological systems modelled by Markov chains: a non-equilibrium dynamic phenomenon.

    Science.gov (United States)

    Jia, Chen; Qian, Minping; Jiang, Daquan

    2014-08-01

    A number of biological systems can be modelled by Markov chains. Recently, there has been an increasing concern about when biological systems modelled by Markov chains will perform a dynamic phenomenon called overshoot. In this study, the authors found that the steady-state behaviour of the system will have a great effect on the occurrence of overshoot. They showed that overshoot in general cannot occur in systems that will finally approach an equilibrium steady state. They further classified overshoot into two types, named as simple overshoot and oscillating overshoot. They showed that except for extreme cases, oscillating overshoot will occur if the system is far from equilibrium. All these results clearly show that overshoot is a non-equilibrium dynamic phenomenon with energy consumption. In addition, the main result in this study is validated with real experimental data.

  9. Entropy analysis on non-equilibrium two-phase flow models

    Energy Technology Data Exchange (ETDEWEB)

    Karwat, H.; Ruan, Y.Q. [Technische Universitaet Muenchen, Garching (Germany)

    1995-09-01

    A method of entropy analysis according to the second law of thermodynamics is proposed for the assessment of a class of practical non-equilibrium two-phase flow models. Entropy conditions are derived directly from a local instantaneous formulation for an arbitrary control volume of a structural two-phase fluid, which are finally expressed in terms of the averaged thermodynamic independent variables and their time derivatives as well as the boundary conditions for the volume. On the basis of a widely used thermal-hydraulic system code it is demonstrated with practical examples that entropy production rates in control volumes can be numerically quantified by using the data from the output data files. Entropy analysis using the proposed method is useful in identifying some potential problems in two-phase flow models and predictions as well as in studying the effects of some free parameters in closure relationships.

  10. Study of gas-liquid flow in model porous media for heterogeneous catalysis

    Science.gov (United States)

    Francois, Marie; Bodiguel, Hugues; Guillot, Pierre; Laboratory of the Future Team

    2015-11-01

    Heterogeneous catalysis of chemical reactions involving a gas and a liquid phase is usually achieved in fixed bed reactors. Four hydrodynamic regimes have been observed. They depend on the total flow rate and the ratio between liquid and gas flow rate. Flow properties in these regimes influence transfer rates. Rather few attempts to access local characterization have been proposed yet, though these seem to be necessary to better describe the physical mechanisms involved. In this work, we propose to mimic slices of reactor by using two-dimensional porous media. We have developed a two-dimensional system that is transparent to allow the direct observation of the flow and the phase distribution. While varying the total flow rate and the gas/liquid flow rate ratio, we observe two hydrodynamic regimes: at low flow rate, the gaseous phase is continuous (trickle flow), while it is discontinuous at higher flow rate (pulsed flow). Thanks to some image analysis techniques, we are able to quantify the local apparent liquid saturation in the system. Its fluctuations in time are characteristic of the transition between the two regimes: at low liquid flow rates, they are negligible since the liquid/gas interface is fixed, whereas at higher flow rates we observe an alternation between liquid and gas. This transition between trickle to pulsed flow is in relative good agreement with the existing state of art. However, we report in the pulsed regime important flow heterogeneities at the scale of a few pores. These heterogeneities are likely to have a strong influence on mass transfers. We acknowledge the support of Solvay.

  11. A non-equilibrium thermodynamic model for tumor extracellular matrix with enzymatic degradation

    Science.gov (United States)

    Xue, Shi-Lei; Li, Bo; Feng, Xi-Qiao; Gao, Huajian

    2017-07-01

    The extracellular matrix (ECM) of a solid tumor not only affords scaffolding to support tumor architecture and integrity but also plays an essential role in tumor growth, invasion, metastasis, and therapeutics. In this paper, a non-equilibrium thermodynamic theory is established to study the chemo-mechanical behaviors of tumor ECM, which is modeled as a poroelastic polyelectrolyte consisting of a collagen network and proteoglycans. By using the principle of maximum energy dissipation rate, we deduce a set of governing equations for drug transport and mechanosensitive enzymatic degradation in ECM. The results reveal that osmosis is primarily responsible for the compression resistance of ECM. It is suggested that a well-designed ECM degradation can effectively modify the tumor microenvironment for improved efficiency of cancer therapy. The theoretical predictions show a good agreement with relevant experimental observations. This study aimed to deepen our understanding of tumor ECM may be conducive to novel anticancer strategies.

  12. Modeling the transport of engineered nanoparticles in saturated porous media - an experimental setup

    Science.gov (United States)

    Braun, A.; Neukum, C.; Azzam, R.

    2011-12-01

    The accelerating production and application of engineered nanoparticles is causing concerns regarding their release and fate in the environment. For assessing the risk that is posed to drinking water resources it is important to understand the transport and retention mechanisms of engineered nanoparticles in soil and groundwater. In this study an experimental setup for analyzing the mobility of silver and titanium dioxide nanoparticles in saturated porous media is presented. Batch and column experiments with glass beads and two different soils as matrices are carried out under varied conditions to study the impact of electrolyte concentration and pore water velocities. The analysis of nanoparticles implies several challenges, such as the detection and characterization and the preparation of a well dispersed sample with defined properties, as nanoparticles tend to form agglomerates when suspended in an aqueous medium. The analytical part of the experiments is mainly undertaken with Flow Field-Flow Fractionation (FlFFF). This chromatography like technique separates a particulate sample according to size. It is coupled to a UV/Vis and a light scattering detector for analyzing concentration and size distribution of the sample. The advantage of this technique is the ability to analyze also complex environmental samples, such as the effluent of column experiments including soil components, and the gentle sample treatment. For optimization of the sample preparation and for getting a first idea of the aggregation behavior in soil solutions, in sedimentation experiments the effect of ionic strength, sample concentration and addition of a surfactant on particle or aggregate size and temporal dispersion stability was investigated. In general the samples are more stable the lower the concentration of particles is. For TiO2 nanoparticles, the addition of a surfactant yielded the most stable samples with smallest aggregate sizes. Furthermore the suspension stability is

  13. Towards Improving the Efficiency of Bayesian Model Averaging Analysis for Flow in Porous Media via the Probabilistic Collocation Method

    Directory of Open Access Journals (Sweden)

    Liang Xue

    2018-04-01

    Full Text Available The characterization of flow in subsurface porous media is associated with high uncertainty. To better quantify the uncertainty of groundwater systems, it is necessary to consider the model uncertainty. Multi-model uncertainty analysis can be performed in the Bayesian model averaging (BMA framework. However, the BMA analysis via Monte Carlo method is time consuming because it requires many forward model evaluations. A computationally efficient BMA analysis framework is proposed by using the probabilistic collocation method to construct a response surface model, where the log hydraulic conductivity field and hydraulic head are expanded into polynomials through Karhunen–Loeve and polynomial chaos methods. A synthetic test is designed to validate the proposed response surface analysis method. The results show that the posterior model weight and the key statistics in BMA framework can be accurately estimated. The relative errors of mean and total variance in the BMA analysis results are just approximately 0.013% and 1.18%, but the proposed method can be 16 times more computationally efficient than the traditional BMA method.

  14. A whole range hygric material model: Modelling liquid and vapour transport properties in porous media

    DEFF Research Database (Denmark)

    Scheffler, Gregor Albrecht; Plagge, Rudolf

    2010-01-01

    This paper addresses the modelling of hygric material coefficients bridging the gap between measured material properties and the non-linear storage and transport coefficients in the transfer equation. The conductivity approach and a bundle of tubes model are the basis. By extending this model wit...

  15. Is There a Critical Distance for Fickian Transport? - a Statistical Approach to Sub-Fickian Transport Modelling in Porous Media

    Science.gov (United States)

    Most, S.; Nowak, W.; Bijeljic, B.

    2014-12-01

    Transport processes in porous media are frequently simulated as particle movement. This process can be formulated as a stochastic process of particle position increments. At the pore scale, the geometry and micro-heterogeneities prohibit the commonly made assumption of independent and normally distributed increments to represent dispersion. Many recent particle methods seek to loosen this assumption. Recent experimental data suggest that we have not yet reached the end of the need to generalize, because particle increments show statistical dependency beyond linear correlation and over many time steps. The goal of this work is to better understand the validity regions of commonly made assumptions. We are investigating after what transport distances can we observe: A statistical dependence between increments, that can be modelled as an order-k Markov process, boils down to order 1. This would be the Markovian distance for the process, where the validity of yet-unexplored non-Gaussian-but-Markovian random walks would start. A bivariate statistical dependence that simplifies to a multi-Gaussian dependence based on simple linear correlation (validity of correlated PTRW). Complete absence of statistical dependence (validity of classical PTRW/CTRW). The approach is to derive a statistical model for pore-scale transport from a powerful experimental data set via copula analysis. The model is formulated as a non-Gaussian, mutually dependent Markov process of higher order, which allows us to investigate the validity ranges of simpler models.

  16. Influence of pH on the transport of silver nanoparticles in saturated porous media: laboratory experiments and modeling

    Energy Technology Data Exchange (ETDEWEB)

    Flory, Jason; Kanel, Sushil R., E-mail: sushil.kanel.ctr@afit.edu; Racz, LeeAnn [Air Force Institute of Technology, Department of Systems and Engineering Management (United States); Impellitteri, Christopher A. [U.S. Environmental Protection Agency (United States); Silva, Rendahandi G. [U.S. EPA Test and Evaluation Facility, National Risk Management Research Laboratory, U.S. Environmental Protection Agency, Shaw Environmental and Infrastructure (United States); Goltz, Mark N., E-mail: mark.goltz@afit.edu [Air Force Institute of Technology, Department of Systems and Engineering Management (United States)

    2013-03-15

    Given the ubiquity of silver nanoparticles (AgNPs) and their potential for toxic effects on both humans and the environment, it is important to understand their environmental fate and transport. The purpose of this study is to gain information on the transport properties of commercial AgNP suspensions in a glass bead-packed column under saturated flow conditions at different solution pH levels. Commercial AgNPs were characterized using high-resolution transmission electron microscopy, dynamic light scattering, X-ray photoelectron spectroscopy, ultraviolet visible spectroscopy, Fourier transform infrared spectroscopy, thermogravimetric analysis, and X-ray diffraction. Transport data were collected at different pH levels (4, 6.5, 9, and 11) at fixed ionic strength. Capture of AgNPs increased as the pH of the solution increased from 4 to 6.5. Further increase in pH to 9 and 11 decreased the attachment of AgNPs to the glass beads. AgNP concentration versus time breakthrough data were simulated using an advection-dispersion model incorporating both irreversible and reversible attachment. In particular, a reversible attachment model is required to simulate breakthrough curve tailing at near neutral pH, when attachment is most significant. The laboratory and modeling study reveals that for natural groundwaters, AgNP transport in porous media may be retarded due to capture; but ultimately, most of the mass may be slowly released over time.

  17. A phase-field model for non-equilibrium solidification of intermetallics

    International Nuclear Information System (INIS)

    Assadi, H.

    2007-01-01

    Intermetallics may exhibit unique solidification behaviour-including slow growth kinetics, anomalous partitioning and formation of unusual growth morphologies-because of departure from local equilibrium. A phase-field model is developed and used to illustrate these non-equilibrium effects in solidification of a prototype B2 intermetallic phase. The model takes sublattice compositions as primary field variables, from which chemical long-range order is derived. The diffusive reactions between the two sublattices, and those between each sublattice and the liquid phase are taken as 'internal' kinetic processes, which take place within control volumes of the system. The model can thus capture solute and disorder trapping effects, which are consistent-over a wide range of the solid/liquid interface thickness-with the predictions of the sharp-interface theory of solute and disorder trapping. The present model can also take account of solid-state ordering and thus illustrate the effects of chemical ordering on microstructure formation and crystal growth kinetics

  18. Lattice ellipsoidal statistical BGK model for thermal non-equilibrium flows

    Science.gov (United States)

    Meng, Jianping; Zhang, Yonghao; Hadjiconstantinou, Nicolas G.; Radtke, Gregg A.; Shan, Xiaowen

    2013-03-01

    A thermal lattice Boltzmann model is constructed on the basis of the ellipsoidal statistical Bhatnagar-Gross-Krook (ES-BGK) collision operator via the Hermite moment representation. The resulting lattice ES-BGK model uses a single distribution function and features an adjustable Prandtl number. Numerical simulations show that using a moderate discrete velocity set, this model can accurately recover steady and transient solutions of the ES-BGK equation in the slip-flow and early transition regimes in the small Mach number limit that is typical of microscale problems of practical interest. In the transition regime in particular, comparisons with numerical solutions of the ES-BGK model, direct Monte Carlo and low-variance deviational Monte Carlo simulations show good accuracy for values of the Knudsen number up to approximately 0.5. On the other hand, highly non-equilibrium phenomena characterized by high Mach numbers, such as viscous heating and force-driven Poiseuille flow for large values of the driving force, are more difficult to capture quantitatively in the transition regime using discretizations chosen with computational efficiency in mind such as the one used here, although improved accuracy is observed as the number of discrete velocities is increased.

  19. The nature of the continuous non-equilibrium phase transition of Axelrod's model

    Science.gov (United States)

    Peres, Lucas R.; Fontanari, José F.

    2015-09-01

    Axelrod's model in the square lattice with nearest-neighbors interactions exhibits culturally homogeneous as well as culturally fragmented absorbing configurations. In the case in which the agents are characterized by F = 2 cultural features and each feature assumes k states drawn from a Poisson distribution of parameter q, these regimes are separated by a continuous transition at qc = 3.10 +/- 0.02 . Using Monte Carlo simulations and finite-size scaling we show that the mean density of cultural domains μ is an order parameter of the model that vanishes as μ ∼ (q - q_c)^β with β = 0.67 +/- 0.01 at the critical point. In addition, for the correlation length critical exponent we find ν = 1.63 +/- 0.04 and for Fisher's exponent, τ = 1.76 +/- 0.01 . This set of critical exponents places the continuous phase transition of Axelrod's model apart from the known universality classes of non-equilibrium lattice models.

  20. A simple non-equilibrium, statistical-physics toy model of thin-film growth

    International Nuclear Information System (INIS)

    Ochab, Jeremi K; Nagel, Hannes; Janke, Wolfhard; Waclaw, Bartlomiej

    2015-01-01

    We present a simple non-equilibrium model of mass condensation with Lennard–Jones interactions between particles and the substrate. We show that when some number of particles is deposited onto the surface and the system is left to equilibrate, particles condense into an island if the density of particles becomes higher than some critical density. We illustrate this with numerically obtained phase diagrams for three-dimensional systems. We also solve a two-dimensional counterpart of this model analytically and show that not only the phase diagram but also the shape of the cross-sections of three-dimensional condensates qualitatively matches the two-dimensional predictions. Lastly, we show that when particles are being deposited with a constant rate, the system has two phases: a single condensate for low deposition rates, and multiple condensates for fast deposition. The behaviour of our model is thus similar to that of thin film growth processes, and in particular to Stranski–Krastanov growth. (paper)

  1. Software package r{sup 3}t. Model for transport and retention in porous media. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Fein, E. (ed.)

    2004-07-01

    In long-termsafety analyses for final repositories for hazardous wastes in deep geological formations the impact to the biosphere due to potential release of hazardous materials is assessed for relevant scenarios. The model for migration of wastes from repositories to men is divided into three almost independent parts: the near field, the geosphere, and the biosphere. With the development of r{sup 3}t the feasibility to model the pollutant transport through the geosphere for porous or equivalent porous media in large, three-dimensional, and complex regions is established. Furthermore one has at present the ability to consider all relevant retention and interaction effects which are important for long-term safety analyses. These are equilibrium sorption, kinetically controlled sorption, diffusion into immobile pore waters, and precipitation. The processes of complexing, colloidal transport and matrix diffusion may be considered at least approximately by skilful choice of parameters. Speciation is not part of the very recently developed computer code r{sup 3}t. With r{sup 3}t it is possible to assess the potential dilution and the barrier impact of the overburden close to reality.

  2. Modelling of a rod bundle under viscous and uncompressible flow by porous media. Applied to nuclear reactor core

    International Nuclear Information System (INIS)

    Ricciardi, Guillaume; Collard, Bruno; Bellizzi, Sergio; Cochelin, Bruno

    2007-01-01

    This study is about the safety of nuclear reactor core submitted to seismic loading. In order to reduce the incertitude margin of the present day codes we propose to develop a numerical code including the non linear behavior of the fluid/structure coupling. The challenge of this work is to find out a tractable model taking the structure complexity into account. In this paper we model the nuclear reactor core mechanical behavior including the dynamics of both fuel assemblies of fluid. Each rod bundle is considered as a deformable porous media, so the velocity field of the fluid and the displacement field of the structure are defined in the whole domain space. Fluid part and structure part are in a first time considered separately, and in second time, the two parts are coupled. The motion equations of the structure are obtained by a Lagrangian formulation, and to allow the fluid structure coupling, the motion equations of the fluid are obtained by an Arbitrary Lagrangian Eulerian formulation. The finite elements method is applied to spatially discretize the equations. Simulations have been performed to analyze the influence of the fluid and structure characteristics, phenomena observed by the experience have been reproduced qualitatively. (author)

  3. Modeling of thermodynamic non-equilibrium flows around cylinders and in channels

    Science.gov (United States)

    Sinha, Avick; Gopalakrishnan, Shiva

    2017-11-01

    Numerical simulations for two different types of flash-boiling flows, namely shear flow (flow through a de-Laval nozzle) and free shear flow (flow past a cylinder) are carried out in the present study. The Homogenous Relaxation Model (HRM) is used to model the thermodynamic non-equilibrium process. It was observed that the vaporization of the fluid stream, which was initially maintained at a sub-cooled state, originates at the nozzle throat. This is because the fluid accelerates at the vena-contracta and subsequently the pressure falls below the saturation vapor pressure, generating a two-phase mixture in the diverging section of the nozzle. The mass flow rate at the nozzle was found to decrease with the increase in fluid inlet temperature. A similar phenomenon also occurs for the free shear case due to boundary layer separation, causing a drop in pressure behind the cylinder. The mass fraction of vapor is maximum at rear end of the cylinder, where the size of the wake is highest. As the back pressure is reduced, severe flashing behavior was observed. The numerical simulations were validated against available experimental data. The authors gratefully acknowledge funding from the public-private partnership between DST, Confederation of Indian Industry and General Electric Pvt. Ltd.

  4. Application of a non-equilibrium reaction model for describing horizontal well performance in foamy oil

    Energy Technology Data Exchange (ETDEWEB)

    Luigi, A.; Saputelli, B.; Carlas, M.; Canache, P.; Lopez, E. [DPVS Exploracion y Produccion (Venezuela)

    1998-12-31

    This study was designed to determine the activation energy ranges and frequency factor ranges in chemical reactions in heavy oils of the Orinoco Belt in Venezuela, in order to account for the kinetics of physical changes that occur in the morphology of gas-oil dispersion. A non-equilibrium reaction model was used to model foamy oil behaviour observed at SDZ-182 horizontal well in the Zuata field. Results showed that activation energy for the first reaction ranged from 0 to 0.01 BTU/lb-mol and frequency factor from 0.001 to 1000 l/day. For the second reaction the activation energy was 50x10{sub 3} BTU/lb-mol and the frequency factor 2.75x10{sub 1}2 l/day. The second reaction was highly sensitive to the modifications in activation energy and frequency factor. However, both the activation energy and frequency factor were independent of variations for the first reaction. In the case of the activation energy, the results showed that the high sensitivity of this parameter reflected the impact that temperature has on the representation of foamy oil behaviour. 8 refs., 2 tabs., 6 figs.

  5. Electrical characteristics of TIG arcs in argon from non-equilibrium modelling and experiment

    Science.gov (United States)

    Baeva, Margarita; Uhrlandt, Dirk; Siewert, Erwan

    2016-09-01

    Electric arcs are widely used in industrial processes so that a thorough understanding of the arc characteristics is highly important to industrial research and development. TIG welding arcs operated with pointed electrodes made of tungsten, doped with cerium oxide, have been studied in order to analyze in detail the electric field and the arc voltage. Newly developed non-equilibrium model of the arc is based on a complete diffusion treatment of particle fluxes, a generalized form of Ohm's law, and boundary conditions accounting for the space-charge sheaths within the magneto-hydrodynamic approach. Experiments have been carried out for electric currents in the range 5-200 A. The electric arc has been initiated between a WC20 cathode and a water-cooled copper plate placed 0.8 mm from each other. The arc length has been continuously increased by 0.1 mm up to 15 mm and the arc voltage has been simultaneously recorded. Modelling and experimental results will be presented and discussed.

  6. Investigation of representing hysteresis in macroscopic models of two-phase flow in porous media using intermediate scale experimental data

    Science.gov (United States)

    Cihan, Abdullah; Birkholzer, Jens; Trevisan, Luca; Gonzalez-Nicolas, Ana; Illangasekare, Tissa

    2017-01-01

    Incorporating hysteresis into models is important to accurately capture the two phase flow behavior when porous media systems undergo cycles of drainage and imbibition such as in the cases of injection and post-injection redistribution of CO2 during geological CO2 storage (GCS). In the traditional model of two-phase flow, existing constitutive models that parameterize the hysteresis associated with these processes are generally based on the empirical relationships. This manuscript presents development and testing of mathematical hysteretic capillary pressure—saturation—relative permeability models with the objective of more accurately representing the redistribution of the fluids after injection. The constitutive models are developed by relating macroscopic variables to basic physics of two-phase capillary displacements at pore-scale and void space distribution properties. The modeling approach with the developed constitutive models with and without hysteresis as input is tested against some intermediate-scale flow cell experiments to test the ability of the models to represent movement and capillary trapping of immiscible fluids under macroscopically homogeneous and heterogeneous conditions. The hysteretic two-phase flow model predicted the overall plume migration and distribution during and post injection reasonably well and represented the postinjection behavior of the plume more accurately than the nonhysteretic models. Based on the results in this study, neglecting hysteresis in the constitutive models of the traditional two-phase flow theory can seriously overpredict or underpredict the injected fluid distribution during post-injection under both homogeneous and heterogeneous conditions, depending on the selected value of the residual saturation in the nonhysteretic models.

  7. Non-equilibrium relaxation in a stochastic lattice Lotka-Volterra model

    Science.gov (United States)

    Chen, Sheng; Täuber, Uwe C.

    2016-04-01

    We employ Monte Carlo simulations to study a stochastic Lotka-Volterra model on a two-dimensional square lattice with periodic boundary conditions. If the (local) prey carrying capacity is finite, there exists an extinction threshold for the predator population that separates a stable active two-species coexistence phase from an inactive state wherein only prey survive. Holding all other rates fixed, we investigate the non-equilibrium relaxation of the predator density in the vicinity of the critical predation rate. As expected, we observe critical slowing-down, i.e., a power law dependence of the relaxation time on the predation rate, and algebraic decay of the predator density at the extinction critical point. The numerically determined critical exponents are in accord with the established values of the directed percolation universality class. Following a sudden predation rate change to its critical value, one finds critical aging for the predator density autocorrelation function that is also governed by universal scaling exponents. This aging scaling signature of the active-to-absorbing state phase transition emerges at significantly earlier times than the stationary critical power laws, and could thus serve as an advanced indicator of the (predator) population’s proximity to its extinction threshold.

  8. A non-equilibrium thermodynamics model of reconstituted Ca(2+)-ATPase.

    Science.gov (United States)

    Waldeck, A R; van Dam, K; Berden, J; Kuchel, P W

    1998-01-01

    A non-equilibrium thermodynamics (NET) model describing the action of completely coupled or 'slipping' reconstituted Ca(2+)-ATPase is presented. Variation of the coupling stoichiometries with the magnitude of the electrochemical gradients, as the ATPase hydrolyzes ATP, is an indication of molecular slip. However, the Ca2+ and H+ membrane-leak conductances may also be a function of their respective gradients. Such non-ohmic leak typically yields 'flow-force' relationships that are similar to those that are obtained when the pump slips; hence, caution needs to be exercised when interpreting data of Ca(2+)-ATPase-mediated fluxes that display a non-linear dependence on the electrochemical proton (delta mu H) and/or calcium gradients (delta mu Ca). To address this issue, three experimentally verifiable relationships differentiating between membrane leak and enzymic slip were derived. First, by measuring delta mu H as a function of the rate of ATP hydrolysis by the enzyme. Second, by measuring the overall 'efficiency' of the pump as a function of delta mu H. Third, by measuring the proton ejection rate by the pump as a function of its ATP hydrolysis rate.

  9. Fluctuation relations in non-equilibrium stationary states of Ising models

    Energy Technology Data Exchange (ETDEWEB)

    Piscitelli, A; Gonnella, G [Dipartimento di Fisica, Universita di Bari and Istituto Nazionale di Fisica Nucleare, Sezione di Bari, via Amendola 173, 70126 Bari (Italy); Corberi, F [Dipartimento di Matematica ed Informatica, via Ponte don Melillo, Universita di Salerno, 84084 Fisciano (Italy); Pelizzola, A [Dipartimento di Fisica and Istituto Nazionale di Fisica Nucleare, Sezione di Torino, and CNISM, Politecnico di Torino, c. Duca degli Abruzzi 24, 10129 Torino (Italy)

    2009-01-15

    Fluctuation relations for the entropy production in non-equilibrium stationary states of Ising models are investigated by means of Monte Carlo simulations. Systems in contact with heat baths at two different temperatures or subject to external driving will be studied. In the first case, considering different kinetic rules and couplings with the baths, the behaviors of the probability distributions of the heat exchanged in time {tau} with the thermostats, both in the disordered phase and in the low temperature phase, are discussed. The fluctuation relation is always followed in the large {tau} limit and deviations from linear response theory are observed. Finite {tau} corrections are shown to obey a scaling behavior. In the other case the system is in contact with a single heat bath, but work is done by shearing it. Also for this system, using the statistics collected for the mechanical work we show the validity of the fluctuation relation and the preasymptotic corrections behave analogously to those for the case with two baths.

  10. A model for non-equilibrium, non-homogeneous two-phase critical flow

    International Nuclear Information System (INIS)

    Bassel, Wageeh Sidrak; Ting, Daniel Kao Sun

    1999-01-01

    Critical two phase flow is a very important phenomena in nuclear reactor technology for the analysis of loss of coolant accident. Several recent papers, Lee and Shrock (1990), Dagan (1993) and Downar (1996) , among others, treat the phenomena using complex models which require heuristic parameters such as relaxation constants or interfacial transfer models. In this paper a mathematical model for one dimensional non equilibrium and non homogeneous two phase flow in constant area duct is developed. The model is constituted of three conservation equations type mass ,momentum and energy. Two important variables are defined in the model: equilibrium constant in the energy equation and the impulse function in the momentum equation. In the energy equation, the enthalpy of the liquid phase is determined by a linear interpolation function between the liquid phase enthalpy at inlet condition and the saturated liquid enthalpy at local pressure. The interpolation coefficient is the equilibrium constant. The momentum equation is expressed in terms of the impulse function. It is considered that there is slip between the liquid and vapor phases, the liquid phase is in metastable state and the vapor phase is in saturated stable state. The model is not heuristic in nature and does not require complex interface transfer models. It is proved numerically that for the critical condition the partial derivative of two phase pressure drop with respect to the local pressure or to phase velocity must be zero.This criteria is demonstrated by numerical examples. The experimental work of Fauske (1962) and Jeandey (1982) were analyzed resulting in estimated numerical values for important parameters like slip ratio, equilibrium constant and two phase frictional drop. (author)

  11. Discrete-fracture-model of multi–scale time-splitting two–phase flow including nanoparticles transport in fractured porous media

    KAUST Repository

    El-Amin, Mohamed

    2017-11-23

    In this article, we consider a two-phase immiscible incompressible flow including nanoparticles transport in fractured heterogeneous porous media. The system of the governing equations consists of water saturation, Darcy’s law, nanoparticles concentration in water, deposited nanoparticles concentration on the pore-wall, and entrapped nanoparticles concentration in the pore-throat, as well as, porosity and permeability variation due to the nanoparticles deposition/entrapment on/in the pores. The discrete-fracture model (DFM) is used to describe the flow and transport in fractured porous media. Moreover, multiscale time-splitting strategy has been employed to manage different time-step sizes for different physics, such as saturation, concentration, etc. Numerical examples are provided to demonstrate the efficiency of the proposed multi-scale time splitting approach.

  12. Discrete-fracture-model of multi–scale time-splitting two–phase flow including nanoparticles transport in fractured porous media

    KAUST Repository

    El-Amin, Mohamed; Kou, Jisheng; Sun, Shuyu

    2017-01-01

    In this article, we consider a two-phase immiscible incompressible flow including nanoparticles transport in fractured heterogeneous porous media. The system of the governing equations consists of water saturation, Darcy’s law, nanoparticles concentration in water, deposited nanoparticles concentration on the pore-wall, and entrapped nanoparticles concentration in the pore-throat, as well as, porosity and permeability variation due to the nanoparticles deposition/entrapment on/in the pores. The discrete-fracture model (DFM) is used to describe the flow and transport in fractured porous media. Moreover, multiscale time-splitting strategy has been employed to manage different time-step sizes for different physics, such as saturation, concentration, etc. Numerical examples are provided to demonstrate the efficiency of the proposed multi-scale time splitting approach.

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

    KAUST Repository

    Davit, Y.

    2012-07-26

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

  14. Anomalous solute transport in saturated porous media: Relating transport model parameters to electrical and nuclear magnetic resonance properties

    Science.gov (United States)

    Swanson, Ryan D; Binley, Andrew; Keating, Kristina; France, Samantha; Osterman, Gordon; Day-Lewis, Frederick D.; Singha, Kamini

    2015-01-01

    The advection-dispersion equation (ADE) fails to describe commonly observed non-Fickian solute transport in saturated porous media, necessitating the use of other models such as the dual-domain mass-transfer (DDMT) model. DDMT model parameters are commonly calibrated via curve fitting, providing little insight into the relation between effective parameters and physical properties of the medium. There is a clear need for material characterization techniques that can provide insight into the geometry and connectedness of pore spaces related to transport model parameters. Here, we consider proton nuclear magnetic resonance (NMR), direct-current (DC) resistivity, and complex conductivity (CC) measurements for this purpose, and assess these methods using glass beads as a control and two different samples of the zeolite clinoptilolite, a material that demonstrates non-Fickian transport due to intragranular porosity. We estimate DDMT parameters via calibration of a transport model to column-scale solute tracer tests, and compare NMR, DC resistivity, CC results, which reveal that grain size alone does not control transport properties and measured geophysical parameters; rather, volume and arrangement of the pore space play important roles. NMR cannot provide estimates of more-mobile and less-mobile pore volumes in the absence of tracer tests because these estimates depend critically on the selection of a material-dependent and flow-dependent cutoff time. Increased electrical connectedness from DC resistivity measurements are associated with greater mobile pore space determined from transport model calibration. CC was hypothesized to be related to length scales of mass transfer, but the CC response is unrelated to DDMT.

  15. A non-equilibrium phase transition in a dissipative forest model

    International Nuclear Information System (INIS)

    Messer, Joachim A.

    2009-01-01

    The shape of the biostress force for a stressed Lotka-Volterra network is for the first time derived from Lindblad's dissipative dynamics. Numerical solutions for stressed prey-predator systems with limited resources show a threshold. A non-equilibrium phase transition to a phase with ecosystem dying after a few enforced oscillations (waldsterben phase) occurs.

  16. On radial stationary solutions to a model of non-equilibrium growth

    Czech Academy of Sciences Publication Activity Database

    Escudero, C.; Hakl, Robert; Peral, I.; Torres, P.J.

    2013-01-01

    Roč. 24, č. 3 (2013), s. 437-453 ISSN 0956-7925 Institutional support: RVO:67985840 Keywords : non-equilibrium growth * radial solutions * variational methods Subject RIV: BA - General Mathematics Impact factor: 1.081, year: 2013 http://journals.cambridge.org/action/displayAbstract?fromPage=online&aid=8897362

  17. Acceptability of inversely-modelled parameters for non-equilibrium sorption of pesticides in soil

    NARCIS (Netherlands)

    Horst, ter M.M.S.; Boesten, J.J.T.I.; Beinum, van W.; Beulke, S.

    2013-01-01

    Simulation of the increase of sorption in time is one of the options in higher tiers of pesticide regulatory leaching assessments to obtain more realistic leaching estimates. Therefore, accurate estimates of non-equilibrium sorption parameters are required as input for the pesticide leaching

  18. An immersed boundary-lattice Boltzmann model for biofilm growth and its impact on the NAPL dissolution in porous media

    Science.gov (United States)

    Benioug, M.; Yang, X.

    2017-12-01

    The evolution of microbial phase within porous medium is a complex process that involves growth, mortality, and detachment of the biofilm or attachment of moving cells. A better understanding of the interactions among biofilm growth, flow and solute transport and a rigorous modeling of such processes are essential for a more accurate prediction of the fate of pollutants (e.g. NAPLs) in soils. However, very few works are focused on the study of such processes in multiphase conditions (oil/water/biofilm systems). Our proposed numerical model takes into account the mechanisms that control bacterial growth and its impact on the dissolution of NAPL. An Immersed Boundary - Lattice Boltzmann Model (IB-LBM) is developed for flow simulations along with non-boundary conforming finite volume methods (volume of fluid and reconstruction methods) used for reactive solute transport. A sophisticated cellular automaton model is also developed to describe the spatial distribution of bacteria. A series of numerical simulations have been performed on complex porous media. A quantitative diagram representing the transitions between the different biofilm growth patterns is proposed. The bioenhanced dissolution of NAPL in the presence of biofilms is simulated at the pore scale. A uniform dissolution approach has been adopted to describe the temporal evolution of trapped blobs. Our simulations focus on the dissolution of NAPL in abiotic and biotic conditions. In abiotic conditions, we analyze the effect of the spatial distribution of NAPL blobs on the dissolution rate under different assumptions (blobs size, Péclet number). In biotic conditions, different conditions are also considered (spatial distribution, reaction kinetics, toxicity) and analyzed. The simulated results are consistent with those obtained from the literature.

  19. On the non-equilibrium phase transition in evaporation–deposition models

    International Nuclear Information System (INIS)

    Connaughton, Colm; Zaboronski, Oleg; Rajesh, R

    2010-01-01

    We study a system of diffusing–aggregating particles with deposition and evaporation of monomers. By combining theoretical and numerical methods, we establish a clearer understanding of the non-equilibrium phase transition known to occur in such systems. The transition is between a growing phase in which the total mass increases for all time and a non-growing phase in which the total mass is bounded. In addition to deriving rigorous bounds on the position of the transition point, we show that the growing phase is in the same universality class as diffusion–aggregation models with deposition but no evaporation. In this regime, the flux of mass in mass space becomes asymptotically constant (as a function of mass) at large times. The magnitude of this flux depends on the evaporation rate but the fact that it is asymptotically constant does not. The associated constant flux relation exactly determines the scaling of the two-point mass correlation function with mass in all dimensions while higher order mass correlation functions exhibit nonlinear multi-scaling in dimension less than two. If the deposition rate is below some critical value, a different stationary state is reached at large times characterized by a global balance between evaporation and deposition with a scale-by-scale balance between the mass fluxes due to aggregation and evaporation. Both the mass distribution and the flux decay exponentially in this regime. Finally, we develop a scaling theory of the model near the critical point, which yields non-trivial scaling laws for the critical two-point mass correlation function with mass. These results are well supported by numerical measurements

  20. Modeling and numerical analysis of non-equilibrium two-phase flows

    International Nuclear Information System (INIS)

    Rascle, P.; El Amine, K.

    1997-01-01

    We are interested in the numerical approximation of two-fluid models of nonequilibrium two-phase flows described by six balance equations. We introduce an original splitting technique of the system of equations. This technique is derived in a way such that single phase Riemann solvers may be used: moreover, it allows a straightforward extension to various and detailed exchange source terms. The properties of the fluids are first approached by state equations of ideal gas type and then extended to real fluids. For the construction of numerical schemes , the hyperbolicity of the full system is not necessary. When based on suitable kinetic unwind schemes, the algorithm can compute flow regimes evolving from mixture to single phase flows and vice versa. The whole scheme preserves the physical features of all the variables which remain in the set of physical states. Several stiff numerical tests, such as phase separation and phase transition are displayed in order to highlight the efficiency of the proposed method. The document is a PhD thesis divided in 6 chapters and two annexes. They are entitled: 1. - Introduction (in French), 2. - Two-phase flow, modelling and hyperbolicity (in French), 3. - A numerical method using upwind schemes for the resolution of two-phase flows without exchange terms (in English), 4. - A numerical scheme for one-phase flow of real fluids (in English), 5. - An upwind numerical for non-equilibrium two-phase flows (in English), 6. - The treatment of boundary conditions (in English), A.1. The Perthame scheme (in English) and A.2. The Roe scheme (in English)

  1. A numerical model of non-equilibrium thermal plasmas. I. Transport properties

    Science.gov (United States)

    Zhang, Xiao-Ning; Li, He-Ping; Murphy, Anthony B.; Xia, Wei-Dong

    2013-03-01

    A self-consistent and complete numerical model for investigating the fundamental processes in a non-equilibrium thermal plasma system consists of the governing equations and the corresponding physical properties of the plasmas. In this paper, a new kinetic theory of the transport properties of two-temperature (2-T) plasmas, based on the solution of the Boltzmann equation using a modified Chapman-Enskog method, is presented. This work is motivated by the large discrepancies between the theories for the calculation of the transport properties of 2-T plasmas proposed by different authors in previous publications. In the present paper, the coupling between electrons and heavy species is taken into account, but reasonable simplifications are adopted, based on the physical fact that me/mh ≪ 1, where me and mh are, respectively, the masses of electrons and heavy species. A new set of formulas for the transport coefficients of 2-T plasmas is obtained. The new theory has important physical and practical advantages over previous approaches. In particular, the diffusion coefficients are complete and satisfy the mass conversation law due to the consideration of the coupling between electrons and heavy species. Moreover, this essential requirement is satisfied without increasing the complexity of the transport coefficient formulas. Expressions for the 2-T combined diffusion coefficients are obtained. The expressions for the transport coefficients can be reduced to the corresponding well-established expressions for plasmas in local thermodynamic equilibrium for the case in which the electron and heavy-species temperatures are equal.

  2. A numerical model of non-equilibrium thermal plasmas. I. Transport properties

    Energy Technology Data Exchange (ETDEWEB)

    Zhang XiaoNing; Xia WeiDong [Department of Thermal Science and Energy Engineering, University of Science and Technology of China, Hefei, Anhui Province 230026 (China); Li HePing [Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Murphy, Anthony B. [CSIRO Materials Science and Engineering, PO Box 218, Lindfield NSW 2070 (Australia)

    2013-03-15

    A self-consistent and complete numerical model for investigating the fundamental processes in a non-equilibrium thermal plasma system consists of the governing equations and the corresponding physical properties of the plasmas. In this paper, a new kinetic theory of the transport properties of two-temperature (2-T) plasmas, based on the solution of the Boltzmann equation using a modified Chapman-Enskog method, is presented. This work is motivated by the large discrepancies between the theories for the calculation of the transport properties of 2-T plasmas proposed by different authors in previous publications. In the present paper, the coupling between electrons and heavy species is taken into account, but reasonable simplifications are adopted, based on the physical fact that m{sub e}/m{sub h} Much-Less-Than 1, where m{sub e} and m{sub h} are, respectively, the masses of electrons and heavy species. A new set of formulas for the transport coefficients of 2-T plasmas is obtained. The new theory has important physical and practical advantages over previous approaches. In particular, the diffusion coefficients are complete and satisfy the mass conversation law due to the consideration of the coupling between electrons and heavy species. Moreover, this essential requirement is satisfied without increasing the complexity of the transport coefficient formulas. Expressions for the 2-T combined diffusion coefficients are obtained. The expressions for the transport coefficients can be reduced to the corresponding well-established expressions for plasmas in local thermodynamic equilibrium for the case in which the electron and heavy-species temperatures are equal.

  3. Ordering phenomena and non-equilibrium properties of lattice gas models

    International Nuclear Information System (INIS)

    Fiig, T.

    1994-03-01

    This report falls within the general field of ordering processes and non-equilibrium properties of lattice gas models. The theory of diffuse scattering of lattice gas models originating from a random distribution of clusters is considered. We obtain relations between the diffuse part of the structure factor S dif (q), the correlation function C(r), and the size distribution of clusters D(n). For a number of distributions we calculate S dif (q) exactly in one dimension, and discuss the possibility for a Lorentzian and a Lorentzian square lineshape to arise. We discuss the two- and three-dimensional oxygen ordering processes in the high T c superconductor YBa 2 Cu 3 O 6+x based on a simple anisotropic lattice gas model. We calculate the structural phase diagram by Monte Carlo simulation and compared the results with experimental data. The structure factor of the oxygen ordering properties has been calculated in both two and three dimensions by Monte Carlo simulation. We report on results obtained from large scale computations on the Connection Machine, which are in excellent agreement with recent neutron diffraction data. In addition we consider the effect of the diffusive motion of metal-ion dopants on the oxygen ordering properties on YBa 2 Cu 3 O 6+x . The stationary properties of metastability in long-range interaction models are studied by application of a constrained transfer matrix (CTM) formalism. The model considered, which exhibits several metastable states, is an extension of the Blume Capel model to include weak long-range interactions. We show, that the decay rate of the metastable states is closely related to the imaginary part of the equilibrium free-energy density obtained from the CTM formalism. We discuss a class of lattice gas model for dissipative transport in the framework of a Langevin description, which is capable of producing power law spectra for the density fluctuations. We compare with numerical results obtained from simulations of a

  4. Interface model conditions for a non-equilibrium heat transfer model for conjugate fluid/porous/solid domains

    International Nuclear Information System (INIS)

    Betchen, L.J.; Straatman, A.G.

    2005-01-01

    A mathematical and numerical model for the treatment of conjugate fluid flow and heat transfer problems in domains containing pure fluid, porous, and pure solid regions has been developed. The model is general and physically reasoned, and allows for local thermal non-equilibrium in the porous region. The model is developed for implementation on a simple collocated finite volume grid. Of particular novelty are the conditions implemented at the interfaces between porous regions, and those containing a pure solid or pure fluid. The model is validated by simulation of a three-dimensional porous plug problem for which experimental results are available. (author)

  5. Modeling density-driven flow in porous media principles, numerics, software

    CERN Document Server

    Holzbecher, Ekkehard O

    1998-01-01

    Modeling of flow and transport in groundwater has become an important focus of scientific research in recent years. Most contributions to this subject deal with flow situations, where density and viscosity changes in the fluid are neglected. This restriction may not always be justified. The models presented in the book demonstrate immpressingly that the flow pattern may be completely different when density changes are taken into account. The main applications of the models are: thermal and saline convection, geothermal flow, saltwater intrusion, flow through salt formations etc. This book not only presents basic theory, but the reader can also test his knowledge by applying the included software and can set up own models.

  6. A splitting technique for analytical modelling of two-phase multicomponent flow in porous media

    DEFF Research Database (Denmark)

    Pires, A.P.; Bedrikovetsky, P.G.; Shapiro, Alexander

    2006-01-01

    In this paper we discuss one-dimensional models for two-phase Enhanced Oil Recovery (EOR) floods (oil displacement by gases, polymers, carbonized water, hot water, etc.). The main result presented here is the splitting of the EOR mathematical model into thermodynamical and hydrodynamical parts...... formation water for chemical flooding can be calculated from the reduced auxiliary system. Reduction of the number of equations allows the generation of new analytical models for EOR. The analytical model for displacement of oil by a polymer slug with water drive is presented....

  7. Convection in Porous Media

    CERN Document Server

    Nield, Donald A

    2013-01-01

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

  8. Convection in porous media

    CERN Document Server

    Nield, Donald A

    1992-01-01

    This book provides a user-friendly introduction to the topic of convection in porous media The authors as- sume that the reader is familiar with the basic elements of fluid mechanics and heat transfer, but otherwise the book is self-contained The book will be useful both as a review (for reference) and as a tutorial work, suitable as a textbook in a graduate course or seminar The book brings into perspective the voluminous research that has been performed during the last two decades The field has recently exploded because of worldwide concern with issues such as energy self-sufficiency and pollution of the environment Areas of application include the insulation of buildings and equipment, energy storage and recovery, geothermal reservoirs, nuclear waste disposal, chemical reactor engineering, and the storage of heat-generating materials such as grain and coal Geophysical applications range from the flow of groundwater around hot intrusions to the stability of snow against avalanches

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

    KAUST Repository

    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. Macropore-mesopore model of water flow through aggregated porous media

    International Nuclear Information System (INIS)

    Fong, L.; Appelbaum, H.R.

    1980-12-01

    A combined, one-dimensional, macropore-mesopore, hydrologic model was developed for simulating water flow through soils for analysis of data related to water and chemical flow in soils. Flows within the macroporous system as well as interactive flows between macroporous and mesoporous systems were modeled. Computer subroutines were written and incorporated into the existing one-dimensional Terrestrial Ecosystem Hydrologic Model (TEHM) developed at ORNL. Simulation showed that macropore flow effects are important during heavy precipitation and are more significant in soils of comparatively low hydraulic conductivity (5 to 10 cm/d). Increased drainage and decreased lateral flow result from the addition of the macropore model. The effect was more pronounced in soils of large macroporosity. Preliminary results indicate that the model is insensitive to geometrical properties of macropores

  11. Flow in fissured porous media

    International Nuclear Information System (INIS)

    Stichel, Sabine

    2014-01-01

    The flow simulation in fissured porous media is of importance for hydro-geological applications like ground water contamination in the neighborhood of waste disposal sites, radioactive waste repositories, fossil fuel mining or underground CO2 storage facilities. The permeability within the fissures - that are preferred transport paths - could influence the flow profile. The anisotropic geometry and the excursive parameter changes produce enormous challenges to numerical methods. A low-dimensional approach is used to model then processes within the fissures, acceptable results were reached. Based on the properties of the fissure and flow parameters a criterion was defined that allows to judge whether the application of the low-dimensional approach is sufficient. A dimension-adapting approach is presented that allow the change tp a full-dimensional model according to the criterion.

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

    International Nuclear Information System (INIS)

    Robey, T.H.

    1994-11-01

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

  13. The non-equilibrium statistical mechanics of a simple geophysical fluid dynamics model

    Science.gov (United States)

    Verkley, Wim; Severijns, Camiel

    2014-05-01

    Lorenz [1] has devised a dynamical system that has proved to be very useful as a benchmark system in geophysical fluid dynamics. The system in its simplest form consists of a periodic array of variables that can be associated with an atmospheric field on a latitude circle. The system is driven by a constant forcing, is damped by linear friction and has a simple advection term that causes the model to behave chaotically if the forcing is large enough. Our aim is to predict the statistics of Lorenz' model on the basis of a given average value of its total energy - obtained from a numerical integration - and the assumption of statistical stationarity. Our method is the principle of maximum entropy [2] which in this case reads: the information entropy of the system's probability density function shall be maximal under the constraints of normalization, a given value of the average total energy and statistical stationarity. Statistical stationarity is incorporated approximately by using `stationarity constraints', i.e., by requiring that the average first and possibly higher-order time-derivatives of the energy are zero in the maximization of entropy. The analysis [3] reveals that, if the first stationarity constraint is used, the resulting probability density function rather accurately reproduces the statistics of the individual variables. If the second stationarity constraint is used as well, the correlations between the variables are also reproduced quite adequately. The method can be generalized straightforwardly and holds the promise of a viable non-equilibrium statistical mechanics of the forced-dissipative systems of geophysical fluid dynamics. [1] E.N. Lorenz, 1996: Predictability - A problem partly solved, in Proc. Seminar on Predictability (ECMWF, Reading, Berkshire, UK), Vol. 1, pp. 1-18. [2] E.T. Jaynes, 2003: Probability Theory - The Logic of Science (Cambridge University Press, Cambridge). [3] W.T.M. Verkley and C.A. Severijns, 2014: The maximum entropy

  14. Accurate Locally Conservative Discretizations for Modeling Multiphase Flow in Porous Media on General Hexahedra Grids

    KAUST Repository

    Wheeler, M.F.; Xue, G.

    2010-01-01

    For many years there have been formulations considered for modeling single phase ow on general hexahedra grids. These include the extended mixed nite element method, and families of mimetic nite di erence methods. In most of these schemes either

  15. Modeling and simulation of nanoparticles transport in a two-phase flow in porous media

    KAUST Repository

    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.

  16. Application of Mortar Coupling in Multiscale Modelling of Coupled Flow, Transport, and Biofilm Growth in Porous Media

    Science.gov (United States)

    Laleian, A.; Valocchi, A. J.; Werth, C. J.

    2017-12-01

    Multiscale models of reactive transport in porous media are capable of capturing complex pore-scale processes while leveraging the efficiency of continuum-scale models. In particular, porosity changes caused by biofilm development yield complex feedbacks between transport and reaction that are difficult to quantify at the continuum scale. Pore-scale models, needed to accurately resolve these dynamics, are often impractical for applications due to their computational cost. To address this challenge, we are developing a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled with a mortar method providing continuity at interfaces. We explore two decompositions of coupled pore-scale and continuum-scale regions to study biofilm growth in a transverse mixing zone. In the first decomposition, all reaction is confined to a pore-scale region extending the transverse mixing zone length. Only solute transport occurs in the surrounding continuum-scale regions. Relative to a fully pore-scale result, we find the multiscale model with this decomposition has a reduced run time and consistent result in terms of biofilm growth and solute utilization. In the second decomposition, reaction occurs in both an up-gradient pore-scale region and a down-gradient continuum-scale region. To quantify clogging, the continuum-scale model implements empirical relations between porosity and continuum-scale parameters, such as permeability and the transverse dispersion coefficient. Solutes are sufficiently mixed at the end of the pore-scale region, such that the initial reaction rate is accurately computed using averaged concentrations in the continuum-scale region. Relative to a fully pore-scale result, we find accuracy of biomass growth in the multiscale model with this decomposition improves as the interface between pore-scale and continuum-scale regions moves downgradient where transverse mixing is more fully developed. Also, this

  17. Comparison of Three Model Concepts for Streaming Potential in Unsaturated Porous Media

    Science.gov (United States)

    Huisman, J. A.; Satenahalli, P.; Zimmermann, E.; Vereecken, H.

    2017-12-01

    Streaming potential is the electric potential generated by fluid flow in a charged porous medium. Although streaming potential in saturated conditions is well understood, there still is considerable debate about the adequate modelling of streaming potential signals in unsaturated soil because different concepts are available to estimate the effective excess charge in unsaturated conditions. In particular, some studies have relied on the volumetric excess charge, whereas others proposed to use the flux-averaged excess charge derived from the water retention or relative permeability function. The aim of this study is to compare measured and modelled streaming potential signals for two different flow experiments with sand. The first experiment is a primary gravity drainage of a long column equipped with non-polarizing electrodes and tensiometers, as presented in several previous studies. Expected differences between the three concepts for the effective excess charge are only moderate for this set-up. The second experiment is a primary drainage of a short soil column equipped with non-polarizing electrodes and tensiometers using applied pressure, where differences between the three concepts are expected to be larger. A comparison of the experimental results with a coupled model of streaming potential for 1D flow problems will provide insights in the ability of the three model concepts for effective excess charge to describe observed streaming potentials.

  18. A SCREENING MODEL FOR SIMULATING DNAPL FLOW AND TRANSPORT IN POROUS MEDIA: THEORETICAL DEVELOPMENT

    Science.gov (United States)

    There exists a need for a simple tool that will allow us to analyze a DNAPL contamination scenario from free-product release to transport of soluble constituents to downgradient receptor wells. The objective of this manuscript is to present the conceptual model and formulate the ...

  19. A Two-Scale Reduced Model for Darcy Flow in Fractured Porous Media

    KAUST Repository

    Chen, Huangxin; Sun, Shuyu

    2016-01-01

    scale, and the effect of fractures on each coarse scale grid cell intersecting with fractures is represented by the discrete fracture model (DFM) on the fine scale. In the DFM used on the fine scale, the matrix-fracture system are resolved

  20. A study on the radionuclide transport through fractured porous media based on the network resistance model

    International Nuclear Information System (INIS)

    Hwang, Ki Ha

    2000-02-01

    Before the actual construction of radioactive waste repository, analysis of radionuclide transport is required to predict the radiological effect on public and environment. Many models have been developed to predict the realistic radionuclide transport through the repository. In this study, Network Resistance Model (NRM) that is similar to electrical circuit network is adopted to simulate the radionuclide transport. NRM assume the media of repository as the resistance of the radionuclide transport and describes the transport phenomena of radionuclide by connecting the resistance as network. NRM is easy to apply to describe complex system and take less calculation time compared to the other model. The object of this study is to develop the fast, simple and efficient calculation method to simulate the radionuclide with the newly adopted concept using network resistance. New system configuration specially focused on rock edge region is introduced by dividing the rock matrix. By dividing the rock edge from the main rock matrix region, the rock edge region is more carefully analyzed and compared. Rock edge region can accelerate radionuclide transport due to the reducing effect on the total resistivity of rock matrix. Therefore, increased radioactive dose is expected when we apply NRM methodology in the performance assessment of the repository. Result of the performance assessment can be more conservative and reliable. NRM can be applied to other system configuration and for more complex pathways. NRM is simple to us e and easy to modify than any other modeling method

  1. Mathematical modeling for laminar flow of power law fluid in porous media

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Renato A.; Mesquita, Maximilian S. [Universidade Federal do Espirito Santo (UFES), Sao Mateus, ES (Brazil). Centro Universitario Norte do Espirito Santo. Dept. de Engenharias e Computacao

    2010-07-01

    In this paper, the macroscopic equations for laminar power-law fluid flow is obtained for a porous medium starting from traditional equations (Navier-Stokes). Then, the volume averaging is applied in traditional transport equations with the power-law fluid model. This procedure leads to macroscopic transport equations set for non-Newtonian fluid. (author)

  2. Modeling of Contaminant Migration through Porous Media after Underground Coal Gasification in Shallow Coal Seam

    Czech Academy of Sciences Publication Activity Database

    Soukup, Karel; Hejtmánek, Vladimír; Čapek, P.; Stanczyk, K.; Šolcová, Olga

    2015-01-01

    Roč. 140, DEC (2015), s. 188-197 ISSN 0378-3820 Grant - others:RFCS(XE) RFCR-CT-2011-00002 Institutional support: RVO:67985858 Keywords : underground coal gasification * transport phenomena modeling * transport parameters Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 3.847, year: 2015

  3. Attenuation of surface waves in porous media: Shock wave experiments and modelling

    NARCIS (Netherlands)

    Chao, G.E; Smeulders, D.M.J.; Dongen, van M.E.H.

    2005-01-01

    In this project we conduct experimental and numerical investigations on the attenuation mechanisms of surface waves in poroelastic materials. Viscous dissipation effects are modelled in the framework of Biot's theory. The experiments are performed using a shock tube technique. Quantitative agreement

  4. Microstructure oriented modelling of hierarchically perfused porous media for cerebral blood flow evaluation

    Czech Academy of Sciences Publication Activity Database

    Tonar, Z.; Kochová, P.; Cimrman, R.; Witter, K.; Janáček, Jiří; Rohan, V.

    2011-01-01

    Roč. 465, č. 2011 (2011), s. 286-289 ISSN 1013-9826. [International Conference on Materials Structure & Micromechanics of Fracture /6./. Brno, 28.06.2010-30.06.2010] Institutional research plan: CEZ:AV0Z50110509 Keywords : brain * perfusion * morphometry * microvessels * stereology * modelling Subject RIV: EA - Cell Biology

  5. A framework for modelling gene regulation which accommodates non-equilibrium mechanisms.

    Science.gov (United States)

    Ahsendorf, Tobias; Wong, Felix; Eils, Roland; Gunawardena, Jeremy

    2014-12-05

    Gene regulation has, for the most part, been quantitatively analysed by assuming that regulatory mechanisms operate at thermodynamic equilibrium. This formalism was originally developed to analyse the binding and unbinding of transcription factors from naked DNA in eubacteria. Although widely used, it has made it difficult to understand the role of energy-dissipating, epigenetic mechanisms, such as DNA methylation, nucleosome remodelling and post-translational modification of histones and co-regulators, which act together with transcription factors to regulate gene expression in eukaryotes. Here, we introduce a graph-based framework that can accommodate non-equilibrium mechanisms. A gene-regulatory system is described as a graph, which specifies the DNA microstates (vertices), the transitions between microstates (edges) and the transition rates (edge labels). The graph yields a stochastic master equation for how microstate probabilities change over time. We show that this framework has broad scope by providing new insights into three very different ad hoc models, of steroid-hormone responsive genes, of inherently bounded chromatin domains and of the yeast PHO5 gene. We find, moreover, surprising complexity in the regulation of PHO5, which has not yet been experimentally explored, and we show that this complexity is an inherent feature of being away from equilibrium. At equilibrium, microstate probabilities do not depend on how a microstate is reached but, away from equilibrium, each path to a microstate can contribute to its steady-state probability. Systems that are far from equilibrium thereby become dependent on history and the resulting complexity is a fundamental challenge. To begin addressing this, we introduce a graph-based concept of independence, which can be applied to sub-systems that are far from equilibrium, and prove that history-dependent complexity can be circumvented when sub-systems operate independently. As epigenomic data become increasingly

  6. Dynamic pore-scale network model (PNM) of water imbibition in porous media

    Science.gov (United States)

    Li, J.; McDougall, S. R.; Sorbie, K. S.

    2017-09-01

    A dynamic pore-scale network model is presented which simulates 2-phase oil/water displacement during water imbibition by explicitly modelling intra-pore dynamic bulk and film flows using a simple local model. A new dynamic switching parameter, λ, is proposed within this model which is able to simulate the competition between local capillary forces and viscous forces over a very wide range of flow conditions. This quantity (λ) determines the primary pore filling mechanism during imbibition; i.e. whether the dominant force is (i) piston-like displacement under viscous forces, (ii) film swelling/collapse and snap-off due to capillary forces, or (iii) some intermediate local combination of both mechanisms. A series of 2D dynamic pore network simulations is presented which shows that the λ-model can satisfactorily reproduce and explain different filling regimes of water imbibition over a wide range of capillary numbers (Ca) and viscosity ratios (M). These imbibition regimes are more complex than those presented under drainage by (Lenormand et al. (1983)), since they are determined by a wider group of control parameters. Our simulations show that there is a coupling between viscous and capillary forces that is much less important in drainage. The effects of viscosity ratio during imbibition are apparent even under conditions of very slow flow (low Ca)-displacements that would normally be expected to be completely capillary dominated. This occurs as a result of the wetting films having a much greater relative mobility in the higher M cases (e.g. M = 10) thus leading to a higher level of film swelling/snap-off, resulting in local oil cluster bypassing and trapping, and hence a poorer oil recovery. This deeper coupled viscous mechanism is the underlying reason why the microscopic displacement efficiency is lower for higher M cases in water imbibition processes. Additional results are presented from the dynamic model on the corresponding effluent fractional flows (fw

  7. Towards realistic flow modelling. Creation and evaluation of two-dimensional simulated porous media: An image analysis approach

    Science.gov (United States)

    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

  8. Multiscale modelling of dual-porosity porous media; a computational pore-scale study for flow and solute transport

    Science.gov (United States)

    de Vries, Enno T.; Raoof, Amir; van Genuchten, Martinus Th.

    2017-07-01

    Many environmental and agricultural applications involve the transport of water and dissolved constituents through aggregated soil profiles, or porous media that are structured, fractured or macroporous in other ways. During the past several decades, various process-based macroscopic models have been used to simulate contaminant transport in such media. Many of these models consider advective-dispersive transport through relatively large inter-aggregate pore domains, while exchange with the smaller intra-aggregate pores is assumed to be controlled by diffusion. Exchange of solute between the two domains is often represented using a first-order mass transfer coefficient, which is commonly obtained by fitting to observed data. This study aims to understand and quantify the solute exchange term by applying a dual-porosity pore-scale network model to relatively large domains, and analysing the pore-scale results in terms of the classical dual-porosity (mobile-immobile) transport formulation. We examined the effects of key parameters (notably aggregate porosity and aggregate permeability) on the main dual-porosity model parameters, i.e., the mobile water fraction (ϕm) and the mass transfer coefficient (α). Results were obtained for a wide range of aggregate porosities (between 0.082 and 0.700). The effect of aggregate permeability was explored by varying pore throat sizes within the aggregates. Solute breakthrough curves (BTCs) obtained with the pore-scale network model at several locations along the domain were analysed using analytical solutions of the dual-porosity model to obtain estimates of ϕm and α. An increase in aggregate porosity was found to decrease ϕm and increase α, leading to considerable tailing in the BTCs. Changes in the aggregate pore throat size affected the relative flow velocity between the intra- and inter-aggregate domains. Higher flow velocities within the aggregates caused a change in the transport regime from diffusion dominated to more

  9. Modelling technological process of ion-exchange filtration of fluids in porous media

    Science.gov (United States)

    Ravshanov, N.; Saidov, U. M.

    2018-05-01

    Solution of an actual problem related to the process of filtration and dehydration of liquid and ionic solutions from gel particles and heavy ionic compounds is considered in the paper. This technological process is realized during the preparation and cleaning of chemical solutions, drinking water, pharmaceuticals, liquid fuels, products for public use, etc. For the analysis, research, determination of the main parameters of the technological process and operating modes of filter units and for support in managerial decision-making, a mathematical model is developed. Using the developed model, a series of computational experiments on a computer is carried out. The results of numerical calculations are illustrated in the form of graphs. Based on the analysis of numerical experiments, the conclusions are formulated that serve as the basis for making appropriate managerial decisions.

  10. Mathematical Modeling of Multiphase Filtration in Porous Media with a Chemically Active Skeleton

    Science.gov (United States)

    Khramchenkov, M. G.; Khramchenkov, É. M.

    2018-01-01

    The authors propose a mathematical model of two-phase filtration that occurs under the conditions of dissolution of a porous medium. The model can be used for joint description of complex chemical-hydrogeomechanical processes that are of frequent occurrence in the oil-and-gas producing and nature conservation practice. As an example, consideration is given to the acidizing of the bottom zone of the injection well of an oil reservoir. Enclosing rocks are represented by carbonates. The phases of the process are an aqueous solution of hydrochloric acid and oil. A software product for computational experiments is developed. For the numerical experiments, use is made of the data on the wells of an actual oil field. Good agreement is obtained between the field data and the calculated data. Numerical experiments with different configurations of the permeability of an oil stratum are conducted.

  11. Modeling reactive transport in deformable porous media using the theory of interacting continua.

    Energy Technology Data Exchange (ETDEWEB)

    Turner, Daniel Zack

    2012-01-01

    This report gives an overview of the work done as part of an Early Career LDRD aimed at modeling flow induced damage of materials involving chemical reactions, deformation of the porous matrix, and complex flow phenomena. The numerical formulation is motivated by a mixture theory or theory of interacting continua type approach to coupling the behavior of the fluid and the porous matrix. Results for the proposed method are presented for several engineering problems of interest including carbon dioxide sequestration, hydraulic fracturing, and energetic materials applications. This work is intended to create a general framework for flow induced damage that can be further developed in each of the particular areas addressed below. The results show both convincing proof of the methodologies potential and the need for further validation of the models developed.

  12. Model investigations on the longitudinal and transversal hydrodynamic dispersion of tracer solutions on porous media

    International Nuclear Information System (INIS)

    Klotz, D.; Moser, H.

    1980-01-01

    The object of the research project is to assess the hydrodynamic dispersion of labelling material solutions in special ground water lines based on measurements of the ground water flow rate and on the sedimentological properties of the natural ground water line present. The investigations were carried out in the laboratory in a three-dimensional ground water flow model and in column systems with HTO as tracer. (orig./HP) [de

  13. Using Multiscale Modeling to Study Coupled Flow, Transport, Reaction and Biofilm Growth Processes in Porous Media

    Science.gov (United States)

    Valocchi, A. J.; Laleian, A.; Werth, C. J.

    2017-12-01

    Perturbation of natural subsurface systems by fluid inputs may induce geochemical or microbiological reactions that change porosity and permeability, leading to complex coupled feedbacks between reaction and transport processes. Some examples are precipitation/dissolution processes associated with carbon capture and storage and biofilm growth associated with contaminant transport and remediation. We study biofilm growth due to mixing controlled reaction of multiple substrates. As biofilms grow, pore clogging occurs which alters pore-scale flow paths thus changing the mixing and reaction. These interactions are challenging to quantify using conventional continuum-scale porosity-permeability relations. Pore-scale models can accurately resolve coupled reaction, biofilm growth and transport processes, but modeling at this scale is not feasible for practical applications. There are two approaches to address this challenge. Results from pore-scale models in generic pore structures can be used to develop empirical relations between porosity and continuum-scale parameters, such as permeability and dispersion coefficients. The other approach is to develop a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled by a suitable method that ensures continuity of flux across the interface. Thus, regions of high reactivity where flow alteration occurs are resolved at the pore scale for accuracy while regions of low reactivity are resolved at the continuum scale for efficiency. This approach thus avoids the need for empirical upscaling relations in regions with strong feedbacks between reaction and porosity change. We explore and compare these approaches for several two-dimensional cases.

  14. Physical and mathematical modeling of diesel fuel liquid and vapor movement in porous media

    International Nuclear Information System (INIS)

    Johnson, T.E.; Kreamer, D.K.

    1994-01-01

    Two-dimensional physical modeling of diesel fuel leaks was conducted in sand tanks to determine liquid and vapor migration characteristics. Mathematical modeling provided estimation of vapor concentrations at discrete times and distances from the vapor source and was compared to the physical experiment. The mathematical gaseous diffusion model was analogous to the Theis equation for ground-water flow, accounted for sorptive effects of the media, and was calibrated using measured concentrations from the sand tank. Mathematically different positions of the vapor source were tested to better relate observed liquid flow rates and media configuration to gaseous concentrations. The calculated diffusion parameters were then used to estimate theoretical, three-dimensional vapor transport from a hypothetical liquid leak of 2.0 1/hr for 30 days. The associated three-dimensional vapor plume, which would be reasonably detectable by commercially available vadose zone monitors, was estimated to have a diameter of 8 m with a vapor concentration of 50 ppm at the outside edge of the vapor plume. A careful application of the method and values can be used to give a first approximation to the number of vapor monitors required at a field site as well as the optimal locations for the monitors

  15. Modeling Quantum Dot Nanoparticle Fate and Transport in Saturated Porous Media under Varying Flow Conditions

    Science.gov (United States)

    Becker, M. D.; Wang, Y.; Englehart, J.; Pennell, K. D.; Abriola, L. M.

    2010-12-01

    As manufactured nanomaterials become more prevalent in commercial and industrial applications, the development of mathematical models capable of predicting nanomaterial transport and retention in subsurface systems is crucial to assessing their fate and distribution in the environment. A systematic modeling approach based on a modification of clean-bed filtration theory was undertaken to elucidate mechanisms governing the transport and deposition behavior of quantum dots in saturated quartz sand as a function of grain size and flow velocity. The traditional deposition governing equation, which assumes irreversible attachment by a first-order rate (katt), was modified to include a maximum or limiting retention capacity (Smax) and first-order detachment of particles from the solid phase (kdet). Quantum dot mobility experiments were performed in columns packed with three size fractions of Ottawa sand (d50 = 125, 165, and 335 μm) at two different pore-water velocities (0.8 m/d and 7.6 m/d). The CdSe quantum dots in a CdZnS shell and polyacrylic acid coating were negatively charged (zeta potential measured ca. -35 mV) with a hydrodynamic diameter of approximately 30 nm. Fitted values of katt, Smax, and kdet were obtained for each transport and deposition experiment through the implementation of a nonlinear least-squares routine developed to fit the model to experimental breakthrough and retention data via multivariate optimization. Fitted attachment rates and retention capacities increased exponentially with decreasing grain size at both flow rates, while no discernable trend was apparent for the fitted detachment rates. Maximum retention capacity values were plotted against a normalized mass flux expression, which accounts for flow conditions and grain size. A power function fit to the data yielded a dependence that was consistent with a previous study undertaken with fullerene nanoparticles.

  16. Seismic attenuation in fractured porous media: insights from a hybrid numerical and analytical model

    International Nuclear Information System (INIS)

    Ekanem, A M; Li, X Y; Chapman, M; Main, I G

    2015-01-01

    Seismic attenuation in fluid-saturated porous rocks can occur by geometric spreading, wave scattering or the internal dissipation of energy, most likely due to the squirt-flow mechanism. In principle, the pattern of seismic attenuation recorded on an array of sensors contains information about the medium, in terms of material heterogeneity and anisotropy, as well as material properties such as porosity, crack density, and pore-fluid composition and mobility. In practice, this inverse problem is challenging. Here we provide some insights into the effects of internal dissipation by analysing synthetic data produced by a hybrid numerical and analytical model for seismic wave propagation in a fractured medium embedded within a layered geological structure. The model is made up of one anisotropic and three isotropic horizontal layers. The anisotropic layer consists of a porous, fluid-saturated material containing vertically aligned inclusions representing a set of fractures. This combination allows squirt-flow to occur between the pores in the matrix and the model fractures. Our results show that the fluid mobility and the associated relaxation time of the fluid-pressure gradient control the frequency range over which attenuation occurs. This induced attenuation increases with incidence angle and azimuth away from the fracture strike-direction. Azimuthal variations in the induced attenuation are elliptical allowing the fracture orientations to be obtained from the axes of the ellipse. These observations hold out the potential of using seismic attenuation as an additional diagnostic in the characterisation of rock formations for a variety of applications including hydrocarbon exploration and production, subsurface storage of CO 2 , and geothermal energy extraction. (paper)

  17. Experimental studies and model analysis of noble gas fractionation in porous media

    Science.gov (United States)

    Ding, Xin; Kennedy, B. Mack.; Evans, William C.; Stonestrom, David A.

    2016-01-01

    The noble gases, which are chemically inert under normal terrestrial conditions but vary systematically across a wide range of atomic mass and diffusivity, offer a multicomponent approach to investigating gas dynamics in unsaturated soil horizons, including transfer of gas between saturated zones, unsaturated zones, and the atmosphere. To evaluate the degree to which fractionation of noble gases in the presence of an advective–diffusive flux agrees with existing theory, a simple laboratory sand column experiment was conducted. Pure CO2 was injected at the base of the column, providing a series of constant CO2 fluxes through the column. At five fixed sampling depths within the system, samples were collected for CO2 and noble gas analyses, and ambient pressures were measured. Both the advection–diffusion and dusty gas models were used to simulate the behavior of CO2 and noble gases under the experimental conditions, and the simulations were compared with the measured depth-dependent concentration profiles of the gases. Given the relatively high permeability of the sand column (5 ´ 10−11 m2), Knudsen diffusion terms were small, and both the dusty gas model and the advection–diffusion model accurately predicted the concentration profiles of the CO2 and atmospheric noble gases across a range of CO2 flux from ?700 to 10,000 g m−2 d−1. The agreement between predicted and measured gas concentrations demonstrated that, when applied to natural systems, the multi-component capability provided by the noble gases can be exploited to constrain component and total gas fluxes of non-conserved (CO2) and conserved (noble gas) species or attributes of the soil column relevant to gas transport, such as porosity, tortuosity, and gas saturation.

  18. Accurate Locally Conservative Discretizations for Modeling Multiphase Flow in Porous Media on General Hexahedra Grids

    KAUST Repository

    Wheeler, M.F.

    2010-09-06

    For many years there have been formulations considered for modeling single phase ow on general hexahedra grids. These include the extended mixed nite element method, and families of mimetic nite di erence methods. In most of these schemes either no rate of convergence of the algorithm has been demonstrated both theoret- ically and computationally or a more complicated saddle point system needs to be solved for an accurate solution. Here we describe a multipoint ux mixed nite element (MFMFE) method [5, 2, 3]. This method is motivated from the multipoint ux approximation (MPFA) method [1]. The MFMFE method is locally conservative with continuous ux approximations and is a cell-centered scheme for the pressure. Compared to the MPFA method, the MFMFE has a variational formulation, since it can be viewed as a mixed nite element with special approximating spaces and quadrature rules. The framework allows han- dling of hexahedral grids with non-planar faces by applying trilinear mappings from physical elements to reference cubic elements. In addition, there are several multi- scale and multiphysics extensions such as the mortar mixed nite element method that allows the treatment of non-matching grids [4]. Extensions to the two-phase oil-water ow are considered. We reformulate the two- phase model in terms of total velocity, capillary velocity, water pressure, and water saturation. We choose water pressure and water saturation as primary variables. The total velocity is driven by the gradient of the water pressure and total mobility. Iterative coupling scheme is employed for the coupled system. This scheme allows treatments of di erent time scales for the water pressure and water saturation. In each time step, we rst solve the pressure equation using the MFMFE method; we then Center for Subsurface Modeling, The University of Texas at Austin, Austin, TX 78712; mfw@ices.utexas.edu. yCenter for Subsurface Modeling, The University of Texas at Austin, Austin, TX 78712; gxue

  19. Modeling of the ionic transfers in saturated porous media: application to the penetration of chlorides through cementing materials

    International Nuclear Information System (INIS)

    Khitab, Anwar

    2005-09-01

    In this work, the problem of ionic species transport through concrete porous media has been documented. Chloride ions penetration in cementitious materials is one of the processes widely responsible for the degradation of concrete structures. Therefore there exists an immense need for its correct understanding and quantification. Different research groups worldwide have proposed different chloride ingress models. Here, a one-dimensional model based on a multi-species approach of the ionic transport is presented. It is the new version of a previous model MsDiff developed a few years ago in our group that describes the diffusion of ionic species with the Nernst-Planck equation instead of Fick's laws. This newer version is named, the package version of MsDiff after it requires a package of five input data at any given age of concrete. With a multi-species approach, it is possible to take into account the interactions, which exist among different ionic species in pore solution of concrete. The numerical scheme of the model is based on finite difference method with Crank-Nickolson and Law-Wendroff techniques. In order to run MsDiff, we do need an input data. Several experiments were performed accordingly to provide experimental feedback to MsDiff. Standard immersion tests were conducted to validate the outcomes of MsDiff. Special attention is given to the diffusion coefficients of the ions and the interactions between the ionic species and the solid phase. In addition to MsDiff, some other existing models were also tried for the sake of comparison with the experimental chloride profiles. Certain experimentation was conducted to watch the effect of exposure period, concrete age at exposure and concentration in the environmental solution. In the end, the simulations were performed with MsDiff in order to calculate the chloride-induced corrosion initiation time using the experimental data already achieved while making use of different criteria adopted by different research

  20. Numerical modelling of hydrologically-driven slope instability by means of porous media mechanics

    Science.gov (United States)

    Kakogiannou, Evanthia; Sanavia, Lorenzo; Lora, Marco; Schrefler, Bernhard

    2015-04-01

    Heavy rainfall can trigger slope failure which generally involves shallow soil deposit of different grading and origin usually in a state of partial saturation. In this case of slope instability, the behaviour of the soil slope is closely related not only to the distribution of pore-water pressure but also to the stress state during rainfall infiltration involving both mechanical and hydrological processes. In order to understand better these physical key processes, in this research work, the modelling of rainfall induced slope failure is considered as a coupled variably saturated hydro-mechanical problem. Therefore, the geometrically linear finite element code Comes-Geo for non-isothermal elasto-plastic multiphase solid porous materials is used, as developed by B.A. Schrefler and his co-workers. In this context, a detailed numerical analysis of an experimental slope stability test due to rainfall infiltration is presented. The main goals of this work are to understand the triggering mechanisms during the progressive failure, the effect of using different constitutive models of the mechanical soil behavior on the numerical results and the use of the second order work criterion on the detection of slope instability.

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

    Science.gov (United States)

    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.

  2. Bayesian data assimilation for stochastic multiscale models of transport in porous media.

    Energy Technology Data Exchange (ETDEWEB)

    Marzouk, Youssef M. (Massachusetts Institute of Technology, Cambridge, MA); van Bloemen Waanders, Bart Gustaaf (Sandia National Laboratories, Albuquerque NM); Parno, Matthew (Massachusetts Institute of Technology, Cambridge, MA); Ray, Jaideep; Lefantzi, Sophia; Salazar, Luke (Sandia National Laboratories, Albuquerque NM); McKenna, Sean Andrew (Sandia National Laboratories, Albuquerque NM); Klise, Katherine A. (Sandia National Laboratories, Albuquerque NM)

    2011-10-01

    We investigate Bayesian techniques that can be used to reconstruct field variables from partial observations. In particular, we target fields that exhibit spatial structures with a large spectrum of lengthscales. Contemporary methods typically describe the field on a grid and estimate structures which can be resolved by it. In contrast, we address the reconstruction of grid-resolved structures as well as estimation of statistical summaries of subgrid structures, which are smaller than the grid resolution. We perform this in two different ways (a) via a physical (phenomenological), parameterized subgrid model that summarizes the impact of the unresolved scales at the coarse level and (b) via multiscale finite elements, where specially designed prolongation and restriction operators establish the interscale link between the same problem defined on a coarse and fine mesh. The estimation problem is posed as a Bayesian inverse problem. Dimensionality reduction is performed by projecting the field to be inferred on a suitable orthogonal basis set, viz. the Karhunen-Loeve expansion of a multiGaussian. We first demonstrate our techniques on the reconstruction of a binary medium consisting of a matrix with embedded inclusions, which are too small to be grid-resolved. The reconstruction is performed using an adaptive Markov chain Monte Carlo method. We find that the posterior distributions of the inferred parameters are approximately Gaussian. We exploit this finding to reconstruct a permeability field with long, but narrow embedded fractures (which are too fine to be grid-resolved) using scalable ensemble Kalman filters; this also allows us to address larger grids. Ensemble Kalman filtering is then used to estimate the values of hydraulic conductivity and specific yield in a model of the High Plains Aquifer in Kansas. Strong conditioning of the spatial structure of the parameters and the non-linear aspects of the water table aquifer create difficulty for the ensemble Kalman

  3. Clearing out a maze: A model of chemotactic motion in porous media

    Science.gov (United States)

    Schilling, Tanja; Voigtmann, Thomas

    2017-12-01

    We study the anomalous dynamics of a biased "hungry" (or "greedy") random walk on a percolating cluster. The model mimics chemotaxis in a porous medium: In close resemblance to the 1980s arcade game PAC-MA N ®, the hungry random walker consumes food, which is initially distributed in the maze, and biases its movement towards food-filled sites. We observe that the mean-squared displacement of the process follows a power law with an exponent that is different from previously known exponents describing passive or active microswimmer dynamics. The change in dynamics is well described by a dynamical exponent that depends continuously on the propensity to move towards food. It results in slower differential growth when compared to the unbiased random walk.

  4. The slender bubble model for very slow degassing in porous media and cold production

    Energy Technology Data Exchange (ETDEWEB)

    Chraibi, M. [Total, Paris (France); Zaleski, S. [Society of Petroleum Engineers, London (United Kingdom)]|[Paris Univ., Paris (France); Franco, F. [Society of Petroleum Engineers, London (United Kingdom)]|[Total, Paris (France)

    2008-10-15

    Cold oil production leads to degassing of the light species and the formation of a bubbly phase. This is often referred to as the foamy oil effect and is particularly observed with heavy oils, combining high viscosity and asphaltenes. The presence and behaviour of a foamy-oil effect is critical to the cold production process. However, because a wide range of different petrophysical parameters and experimental factors interact in a complex manner, this process is not a well-understood production mechanism. This study focused on improving the understanding of the solution gas drive mechanism in primary heavy oil recovery. A Darcy-scale model was developed that took into account the basic physical phenomena of bubble nucleation, bubble growth by solute diffusion and expansion, and bubble mobilization. The relative permeability of the gas phase was replaced by an expression for the gas mobility with new physical effects related to capillarity, viscosity, gravity, and bubble geometry. The purpose was to fit the productions with a limited number of parameters, having physical meaning, independently from the depletion rate. The paper also presented several simplifications of the basic Darcy-scale equations, that enabled the production prediction in a much simpler manner than through full simulations. The full set of Darcy-scale equations were solved using a numerical solution. The formation of strong gradients of the gas phase saturation were shown to depend on gravity and viscosity. 12 refs., 4 figs.

  5. Porous media geometry and transports

    CERN Document Server

    Adler, Pierre

    1992-01-01

    The goal of ""Porous Media: Geometry and Transports"" is to provide the basis of a rational and modern approach to porous media. This book emphasizes several geometrical structures (spatially periodic, fractal, and random to reconstructed) and the three major single-phase transports (diffusion, convection, and Taylor dispersion).""Porous Media"" serves various purposes. For students it introduces basic information on structure and transports. Engineers will find this book useful as a readily accessible assemblage of al the major experimental results pertaining to single-phase tr

  6. Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

    International Nuclear Information System (INIS)

    You, Zhi-Qiang; Herbert, John M.; Mewes, Jan-Michael; Dreuw, Andreas

    2015-01-01

    The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents

  7. Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

    Energy Technology Data Exchange (ETDEWEB)

    You, Zhi-Qiang; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210 (United States); Mewes, Jan-Michael; Dreuw, Andreas [Interdisciplinary Center for Scientific Computing, Ruprechts-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany)

    2015-11-28

    The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents.

  8. Ignition conditions relaxation for central hot-spot ignition with an ion-electron non-equilibrium model

    Science.gov (United States)

    Fan, Zhengfeng; Liu, Jie

    2016-10-01

    We present an ion-electron non-equilibrium model, in which the hot-spot ion temperature is higher than its electron temperature so that the hot-spot nuclear reactions are enhanced while energy leaks are considerably reduced. Theoretical analysis shows that the ignition region would be significantly enlarged in the hot-spot rhoR-T space as compared with the commonly used equilibrium model. Simulations show that shocks could be utilized to create and maintain non-equilibrium conditions within the hot spot, and the hot-spot rhoR requirement is remarkably reduced for achieving self-heating. In NIF high-foot implosions, it is observed that the x-ray enhancement factors are less than unity, which is not self-consistent and is caused by assuming Te =Ti. And from this non-consistency, we could infer that ion-electron non-equilibrium exists in the high-foot implosions and the ion temperature could be 9% larger than the equilibrium temperature.

  9. Atomistic-level non-equilibrium model for chemically reactive systems based on steepest-entropy-ascent quantum thermodynamics

    International Nuclear Information System (INIS)

    Li, Guanchen; Al-Abbasi, Omar; Von Spakovsky, Michael R

    2014-01-01

    This paper outlines an atomistic-level framework for modeling the non-equilibrium behavior of chemically reactive systems. The framework called steepest- entropy-ascent quantum thermodynamics (SEA-QT) is based on the paradigm of intrinsic quantum thermodynamic (IQT), which is a theory that unifies quantum mechanics and thermodynamics into a single discipline with wide applications to the study of non-equilibrium phenomena at the atomistic level. SEA-QT is a novel approach for describing the state of chemically reactive systems as well as the kinetic and dynamic features of the reaction process without any assumptions of near-equilibrium states or weak-interactions with a reservoir or bath. Entropy generation is the basis of the dissipation which takes place internal to the system and is, thus, the driving force of the chemical reaction(s). The SEA-QT non-equilibrium model is able to provide detailed information during the reaction process, providing a picture of the changes occurring in key thermodynamic properties (e.g., the instantaneous species concentrations, entropy and entropy generation, reaction coordinate, chemical affinities, reaction rate, etc). As an illustration, the SEA-QT framework is applied to an atomistic-level chemically reactive system governed by the reaction mechanism F + H 2 ↔ FH + H

  10. The transport behaviour of elemental mercury DNAPL in saturated porous media: analysis of field observations and two-phase flow modelling.

    Science.gov (United States)

    Sweijen, Thomas; Hartog, Niels; Marsman, Annemieke; Keijzer, Thomas J S

    2014-06-01

    Mercury is a contaminant of global concern. The use of elemental mercury in various (former) industrial processes, such as chlorine production at chlor-alkali plants, is known to have resulted in soil and groundwater contaminations worldwide. However, the subsurface transport behaviour of elemental mercury as an immiscible dense non-aqueous phase liquid (DNAPL) in porous media has received minimal attention to date. Even though, such insight would aid in the remediation effort of mercury contaminated sites. Therefore, in this study a detailed field characterization of elemental mercury DNAPL distribution with depth was performed together with two-phase flow modelling, using STOMP. This is to evaluate the dynamics of mercury DNAPL migration and the controls on its distribution in saturated porous media. Using a CPT-probe mounted with a digital camera, in-situ mercury DNAPL depth distribution was obtained at a former chlor-alkali-plant, down to 9 m below ground surface. Images revealing the presence of silvery mercury DNAPL droplets were used to quantify its distribution, characteristics and saturation, using an image analysis method. These field-observations with depth were compared with results from a one-dimensional two-phase flow model simulation for the same transect. Considering the limitations of this approach, simulations reasonably reflected the variability and range of the mercury DNAPL distribution. To further explore the impact of mercury's physical properties in comparison with more common DNAPLs, the migration of mercury and PCE DNAPL in several typical hydrological scenarios was simulated. Comparison of the simulations suggest that mercury's higher density is the overall controlling factor in controlling its penetration in saturated porous media, despite its higher resistance to flow due to its higher viscosity. Based on these results the hazard of spilled mercury DNAPL to cause deep contamination of groundwater systems seems larger than for any other

  11. Transport phenomena in porous media

    CERN Document Server

    Ingham, Derek B

    1998-01-01

    Research into thermal convection in porous media has substantially increased during recent years due to its numerous practical applications. These problems have attracted the attention of industrialists, engineers and scientists from many very diversified disciplines, such as applied mathematics, chemical, civil, environmental, mechanical and nuclear engineering, geothermal physics and food science. Thus, there is a wealth of information now available on convective processes in porous media and it is therefore appropriate and timely to undertake a new critical evaluation of this contemporary information. Transport Phenomena in Porous Media contains 17 chapters and represents the collective work of 27 of the world's leading experts, from 12 countries, in heat transfer in porous media. The recent intensive research in this area has substantially raised the expectations for numerous new practical applications and this makes the book a most timely addition to the existing literature. It includes recent major deve...

  12. Modeling two-phase flow in a micro-model with local thermal non-equilibrium on the Darcy scale

    NARCIS (Netherlands)

    Nuske, Philipp; Ronneberger, Olaf; Karadimitriou, Nikolaos K.; Helmig, Rainer; Hassanizadeh, S. Majid

    2015-01-01

    Loosening local equilibrium assumptions in two-phase flow in porous media gives rise to new, unknown variables. More specifically, when loosening the local thermal equilibrium assumption, one has to describe the heat transfer between multiple phases, present at the same mathematical point. In this

  13. Influence of pH on the Transport of Silver Nanoparticles in Saturated Porous Media: Laboratory Experiments and Modeling

    Science.gov (United States)

    2012-03-01

    the potential toxic effects of AgNPs (USEPA 2010). Recent in vitro and in vivo studies using various cell lines, algae , zooplankton, fish, rats and... TiO2 in Saturated Porous Media: Effects of pH, Surfactants and Flow Velocity.” Water Research, 45(2), 839-851. He, F., Zhang, M., Qian, T., and Zhao...of silver nanoparticles (AgNPs), the largest and fastest growing category of nanomaterials, and their potential for toxic effects to both humans

  14. Random walk-percolation-based modeling of two-phase flow in porous media: Breakthrough time and net to gross ratio estimation

    Science.gov (United States)

    Ganjeh-Ghazvini, Mostafa; Masihi, Mohsen; Ghaedi, Mojtaba

    2014-07-01

    Fluid flow modeling in porous media has many applications in waste treatment, hydrology and petroleum engineering. In any geological model, flow behavior is controlled by multiple properties. These properties must be known in advance of common flow simulations. When uncertainties are present, deterministic modeling often produces poor results. Percolation and Random Walk (RW) methods have recently been used in flow modeling. Their stochastic basis is useful in dealing with uncertainty problems. They are also useful in finding the relationship between porous media descriptions and flow behavior. This paper employs a simple methodology based on random walk and percolation techniques. The method is applied to a well-defined model reservoir in which the breakthrough time distributions are estimated. The results of this method and the conventional simulation are then compared. The effect of the net to gross ratio on the breakthrough time distribution is studied in terms of Shannon entropy. Use of the entropy plot allows one to assign the appropriate net to gross ratio to any porous medium.

  15. Non-equilibrium Economics

    Directory of Open Access Journals (Sweden)

    Katalin Martinás

    2007-02-01

    Full Text Available A microeconomic, agent based framework to dynamic economics is formulated in a materialist approach. An axiomatic foundation of a non-equilibrium microeconomics is outlined. Economic activity is modelled as transformation and transport of commodities (materials owned by the agents. Rate of transformations (production intensity, and the rate of transport (trade are defined by the agents. Economic decision rules are derived from the observed economic behaviour. The non-linear equations are solved numerically for a model economy. Numerical solutions for simple model economies suggest that the some of the results of general equilibrium economics are consequences only of the equilibrium hypothesis. We show that perfect competition of selfish agents does not guarantee the stability of economic equilibrium, but cooperativity is needed, too.

  16. An upscaled two-equation model of transport in porous media through unsteady-state closure of volume averaged formulations

    Science.gov (United States)

    Chaynikov, S.; Porta, G.; Riva, M.; Guadagnini, A.

    2012-04-01

    We focus on a theoretical analysis of nonreactive solute transport in porous media through the volume averaging technique. Darcy-scale transport models based on continuum formulations typically include large scale dispersive processes which are embedded in a pore-scale advection diffusion equation through a Fickian analogy. This formulation has been extensively questioned in the literature due to its inability to depict observed solute breakthrough curves in diverse settings, ranging from the laboratory to the field scales. The heterogeneity of the pore-scale velocity field is one of the key sources of uncertainties giving rise to anomalous (non-Fickian) dispersion in macro-scale porous systems. Some of the models which are employed to interpret observed non-Fickian solute behavior make use of a continuum formulation of the porous system which assumes a two-region description and includes a bimodal velocity distribution. A first class of these models comprises the so-called ''mobile-immobile'' conceptualization, where convective and dispersive transport mechanisms are considered to dominate within a high velocity region (mobile zone), while convective effects are neglected in a low velocity region (immobile zone). The mass exchange between these two regions is assumed to be controlled by a diffusive process and is macroscopically described by a first-order kinetic. An extension of these ideas is the two equation ''mobile-mobile'' model, where both transport mechanisms are taken into account in each region and a first-order mass exchange between regions is employed. Here, we provide an analytical derivation of two region "mobile-mobile" meso-scale models through a rigorous upscaling of the pore-scale advection diffusion equation. Among the available upscaling methodologies, we employ the Volume Averaging technique. In this approach, the heterogeneous porous medium is supposed to be pseudo-periodic, and can be represented through a (spatially) periodic unit cell

  17. Complexity Reduction of Multiphase Flows in Heterogeneous Porous Media

    KAUST Repository

    Ghommem, Mehdi; Gildin, Eduardo; Ghasemi, Mohammadreza

    2015-01-01

    In this paper, we apply mode decomposition and interpolatory projection methods to speed up simulations of two-phase flows in heterogeneous porous media. We propose intrusive and nonintrusive model-reduction approaches that enable a significant

  18. The onset of double diffusive convection in a viscoelastic fluid-saturated porous layer with non-equilibrium model.

    Directory of Open Access Journals (Sweden)

    Zhixin Yang

    Full Text Available The onset of double diffusive convection in a viscoelastic fluid-saturated porous layer is studied when the fluid and solid phase are not in local thermal equilibrium. The modified Darcy model is used for the momentum equation and a two-field model is used for energy equation each representing the fluid and solid phases separately. The effect of thermal non-equilibrium on the onset of double diffusive convection is discussed. The critical Rayleigh number and the corresponding wave number for the exchange of stability and over-stability are obtained, and the onset criterion for stationary and oscillatory convection is derived analytically and discussed numerically.

  19. Convection in porous media

    CERN Document Server

    Nield, Donald A

    2017-01-01

    This updated edition of a widely admired text provides a user-friendly introduction to the field that requires only routine mathematics. The book starts with the elements of fluid mechanics and heat transfer, and covers a wide range of applications from fibrous insulation and catalytic reactors to geological strata, nuclear waste disposal, geothermal reservoirs, and the storage of heat-generating materials. As the standard reference in the field, this book will be essential to researchers and practicing engineers, while remaining an accessible introduction for graduate students and others entering the field. The new edition features 2700 new references covering a number of rapidly expanding fields, including the heat transfer properties of nanofluids and applications involving local thermal non-equilibrium and microfluidic effects. Recognized as the standard reference in the field Includes a comprehensive, 350-page reference list Cited over 5900 times to date in its various editions Serves as an introduction ...

  20. A porous flow approach to model thermal non-equilibrium applicable to melt migration

    Science.gov (United States)

    Schmeling, Harro; Marquart, Gabriele; Grebe, Michael

    2018-01-01

    We develop an approach for heat exchange between a fluid and a solid phase of a porous medium where the temperatures of the fluid and matrix are not in thermal equilibrium. The formulation considers moving of the fluid within a resting or deforming porous matrix in an Eulerian coordinate system. The approach can be applied, for example, to partially molten systems or to brine transport in porous rocks. We start from an existing theory for heat exchange where the energy conservation equations for the fluid and the solid phases are separated and coupled by a heat exchange term. This term is extended to account for the full history of heat exchange. It depends on the microscopic geometry of the fluid phase. For the case of solid containing hot, fluid-filled channels, we derive an expression based on a time-dependent Fourier approach for periodic half-waves. On the macroscopic scale, the temporal evolution of the heat exchange leads to a convolution integral along the flow path of the solid, which simplifies considerably in case of a resting matrix. The evolution of the temperature in both phases with time is derived by inserting the heat exchange term into the energy equations. We explore the effects of thermal non-equilibrium between fluid and solid by considering simple cases with sudden temperature differences between fluid and solid as initial or boundary conditions, and by varying the fluid velocity with respect to the resting porous solid. Our results agree well with an analytical solution for non-moving fluid and solid. The temperature difference between solid and fluid depends on the Peclet number based on the Darcy velocity. For Peclet numbers larger than 1, the temperature difference after one diffusion time reaches 5 per cent of \\tilde{T} or more (\\tilde{T} is a scaling temperature, e.g. the initial temperature difference). Thus, our results imply that thermal non-equilibrium can play an important role for melt migration through partially molten systems

  1. A facilitated diffusion model constrained by the probability isotherm: a pedagogical exercise in intuitive non-equilibrium thermodynamics.

    Science.gov (United States)

    Chapman, Brian

    2017-06-01

    This paper seeks to develop a more thermodynamically sound pedagogy for students of biological transport than is currently available from either of the competing schools of linear non-equilibrium thermodynamics (LNET) or Michaelis-Menten kinetics (MMK). To this end, a minimal model of facilitated diffusion was constructed comprising four reversible steps: cis- substrate binding, cis → trans bound enzyme shuttling, trans -substrate dissociation and trans → cis free enzyme shuttling. All model parameters were subject to the second law constraint of the probability isotherm, which determined the unidirectional and net rates for each step and for the overall reaction through the law of mass action. Rapid equilibration scenarios require sensitive 'tuning' of the thermodynamic binding parameters to the equilibrium substrate concentration. All non-equilibrium scenarios show sigmoidal force-flux relations, with only a minority of cases having their quasi -linear portions close to equilibrium. Few cases fulfil the expectations of MMK relating reaction rates to enzyme saturation. This new approach illuminates and extends the concept of rate-limiting steps by focusing on the free energy dissipation associated with each reaction step and thereby deducing its respective relative chemical impedance. The crucial importance of an enzyme's being thermodynamically 'tuned' to its particular task, dependent on the cis- and trans- substrate concentrations with which it deals, is consistent with the occurrence of numerous isoforms for enzymes that transport a given substrate in physiologically different circumstances. This approach to kinetic modelling, being aligned with neither MMK nor LNET, is best described as intuitive non-equilibrium thermodynamics, and is recommended as a useful adjunct to the design and interpretation of experiments in biotransport.

  2. Convection with local thermal non-equilibrium and microfluidic effects

    CERN Document Server

    Straughan, Brian

    2015-01-01

    This book is one of the first devoted to an account of theories of thermal convection which involve local thermal non-equilibrium effects, including a concentration on microfluidic effects. The text introduces convection with local thermal non-equilibrium effects in extraordinary detail, making it easy for readers newer to the subject area to understand. This book is unique in the fact that it addresses a large number of convection theories and provides many new results which are not available elsewhere. This book will be useful to researchers from engineering, fluid mechanics, and applied mathematics, particularly those interested in microfluidics and porous media.

  3. Capacitance effects in porous media

    International Nuclear Information System (INIS)

    Jasti, J.K.; Vaidya, R.N.; Fogler, H.S.

    1987-01-01

    The velocity dependence of the parameters in the Coats-Smith model for tracer dispersion and tailing in porous media was investigated in this study. Numerical simulations show that eddies with recirculation flow are formed in the pockets due to flow separation. The tracer transport between the eddies in the dead zones and the main channel was found to be diffusion limited. The simulations reveal that in the Stokes' flow regime the mass transfer coefficient between the two regions is independent of interstitial velocity. Core flood experiments were performed using radioactive tracers to verify the hypothesis that the capcitance effects are not due to a change in flowing fraction. The experimental results confirm that racer tailing is a function of the ratio of the molecular diffusivity to the flow rate. In light of these findings, the authors investigated the validity of the Coats-Smith model to predict dispersion and tailing in porous medium. Their studies indicate that the Coats-Smith model may be used, however, certain restrictions apply to the procedure for estimation of parameters and are described in this paper

  4. Modeling of Multi Phase Flow in Porous Media: Operator Splitting, Front Tracking, Interfacial Area and Network Models

    Energy Technology Data Exchange (ETDEWEB)

    Nordhaug, Hans Fredrik

    2001-07-01

    In reservoir problems we consider some or all of the following phases: Oil, gas, water and solid. The solid phase is normally assumed to be immobile and non-deforming, but in general this does not need to be the case. By multi phase flow we will mean the flow of oil, gas and water. The phases are categorized according to their different physical quantities. A hydrocarbon phase, may consist of different hydrocarbon components, e.g., the oil phase can contain several oil and gas types. In this work the components are neglected and only the phases are considered. A porous medium is any solid phase, e.g. sand stone, that is permeable. The flow in a porous medium takes place through connected pores in the rock. Regions on a larger scale that contain oil or gas are called reservoirs. The typical size of a reservoir is kilometers in each direction while the pore scale size is millimeters or less. Solving the Navier-Stokes equation at the pore scale to obtain the transport on a larger scale is not numerically feasible because of the huge difference in scales. Therefore, some averaging is necessary to go from the pore scale (micro scale) to the reservoir scale (macro scale). In this process the Navier-Stokes equations are replaced by macro scale equations that are solved for macro scale variables. The papers presented herein cover several topics in multi phase flow in porous media, and they address some central problems both on the micro scale as well as on the macro scale. In addition, operator splitting techniques have been developed for convection dominated non-linear transport equations.

  5. Review of enhanced vapor diffusion in porous media

    International Nuclear Information System (INIS)

    Webb, S.W.; Ho, C.K.

    1998-01-01

    Vapor diffusion in porous media in the presence of its own liquid has often been treated similar to gas diffusion. The gas diffusion rate in porous media is much lower than in free space due to the presence of the porous medium and any liquid present. However, enhanced vapor diffusion has also been postulated such that the diffusion rate may approach free-space values. Existing data and models for enhanced vapor diffusion, including those in TOUGH2, are reviewed in this paper

  6. Dielectric dispersion of porous media as a fractal phenomenon

    Science.gov (United States)

    Thevanayagam, S.

    1997-09-01

    It is postulated that porous media is made up of fractal solid skeleton structure and fractal pore surface. The model thus developed satisfies measured anomalous dielectric behavior of three distinctly different porous media: kaolin, montmorillonite, and shaly sand rock. It is shown that the underlying mechanism behind dielectric dispersion in the kHz range to high MHz range is indeed Maxwell-Wagner mechanism but modified to take into account the multiphase nature of the porous media as opposed to the traditional two-phase Maxwell-Wagner charge accumulation effect. The conductivity of the surface water associated with the solid surface and charge accumulation across the surface irregularities, asperity, and bridging between particles at the micro-scale-level pores are shown to contribute to this modified Maxwell-Wagner mechanism. The latter is dominant at low frequencies. The surface water thickness is calculated to be about 2-6 nm for a variety of porous media.

  7. Non-equilibrium phase transitions

    CERN Document Server

    Henkel, Malte; Lübeck, Sven

    2009-01-01

    This book describes two main classes of non-equilibrium phase-transitions: (a) static and dynamics of transitions into an absorbing state, and (b) dynamical scaling in far-from-equilibrium relaxation behaviour and ageing. The first volume begins with an introductory chapter which recalls the main concepts of phase-transitions, set for the convenience of the reader in an equilibrium context. The extension to non-equilibrium systems is made by using directed percolation as the main paradigm of absorbing phase transitions and in view of the richness of the known results an entire chapter is devoted to it, including a discussion of recent experimental results. Scaling theories and a large set of both numerical and analytical methods for the study of non-equilibrium phase transitions are thoroughly discussed. The techniques used for directed percolation are then extended to other universality classes and many important results on model parameters are provided for easy reference.

  8. Evaluation of the applicability of the dual‐domain mass transfer model in porous media containing connected high‐conductivity channels

    Science.gov (United States)

    Liu, Gaisheng; Zheng, Chunmiao; Gorelick, Steven M.

    2007-01-01

    This paper evaluates the dual‐domain mass transfer (DDMT) model to represent transport processes when small‐scale high‐conductivity (K) preferential flow paths (PFPs) are present in a homogenous porous media matrix. The effects of PFPs upon solute transport were examined through detailed numerical experiments involving different realizations of PFP networks, PFP/matrix conductivity contrasts varying from 10:1 to 200:1, different magnitudes of effective conductivities, and a range of molecular diffusion coefficients. Results suggest that the DDMT model can reproduce both the near‐source peak and the downstream low‐concentration spreading observed in the embedded dendritic network when there are large conductivity contrasts between high‐K PFPs and the low‐K matrix. The accuracy of the DDMT model is also affected by the geometry of PFP networks and by the relative significance of the diffusion process in the network‐matrix system.

  9. OPM: The Open Porous Media Initiative

    Science.gov (United States)

    Flemisch, B.; Flornes, K. M.; Lie, K.; Rasmussen, A.

    2011-12-01

    The principal objective of the Open Porous Media (OPM) initiative is to develop a simulation suite that is capable of modeling industrially and scientifically relevant flow and transport processes in porous media and bridge the gap between the different application areas of porous media modeling, including reservoir mechanics, CO2 sequestration, biological systems, and product development of engineered media. The OPM initiative will provide a long-lasting, efficient, and well-maintained open-source software for flow and transport in porous media built on modern software principles. The suite is released under the GNU General Public License (GPL). Our motivation is to provide a means to unite industry and public research on simulation of flow and transport in porous media. For academic users, we seek to provide a software infrastructure that facilitates testing of new ideas on models with industry-standard complexity, while at the same time giving the researcher control over discretization and solvers. Similarly, we aim to accelerate the technology transfer from academic institutions to professional companies by making new research results available as free software of professional standard. The OPM initiative is currently supported by six research groups in Norway and Germany and funded by existing grants from public research agencies as well as from Statoil Petroleum and Total E&P Norge. However, a full-scale development of the OPM initiative requires substantially more funding and involvement of more research groups and potential end users. In this talk, we will provide an overview of the current activities in the OPM initiative. Special emphasis will be given to the demonstration of the synergies achieved by combining the strengths of individual open-source software components. In particular, a new fully implicit solver developed within the DUNE-based simulator DuMux could be enhanced by the ability to read industry-standard Eclipse input files and to run on

  10. A Comparison of the Computation Times of Thermal Equilibrium and Non-equilibrium Models of Droplet Field in a Two-Fluid Three-Field Model

    Energy Technology Data Exchange (ETDEWEB)

    Park, Ik Kyu; Cho, Heong Kyu; Kim, Jong Tae; Yoon, Han Young; Jeong, Jae Jun

    2007-12-15

    A computational model for transient, 3 dimensional 2 phase flows was developed by using 'unstructured-FVM-based, non-staggered, semi-implicit numerical scheme' considering the thermally non-equilibrium droplets. The assumption of the thermally equilibrium between liquid and droplets of previous studies was not used any more, and three energy conservation equations for vapor, liquid, liquid droplets were set up. Thus, 9 conservation equations for mass, momentum, and energy were established to simulate 2 phase flows. In this report, the governing equations and a semi-implicit numerical sheme for a transient 1 dimensional 2 phase flows was described considering the thermally non-equilibrium between liquid and liquid droplets. The comparison with the previous model considering the thermally non-equilibrium between liquid and liquid droplets was also reported.

  11. Pore-scale modeling of capillary trapping in water-wet porous media: A new cooperative pore-body filling model

    Science.gov (United States)

    Ruspini, L. C.; Farokhpoor, R.; Øren, P. E.

    2017-10-01

    We present a pore-network model study of capillary trapping in water-wet porous media. The amount and distribution of trapped non-wetting phase is determined by the competition between two trapping mechanisms - snap-off and cooperative pore-body filling. We develop a new model to describe the pore-body filling mechanism in geologically realistic pore-networks. The model accounts for the geometrical characteristics of the pore, the spatial location of the connecting throats and the local fluid topology at the time of the displacement. We validate the model by comparing computed capillary trapping curves with published data for four different water-wet rocks. Computations are performed on pore-networks extracted from micro-CT images and process-based reconstructions of the actual rocks used in the experiments. Compared with commonly used stochastic models, the new model describes more accurately the experimental measurements, especially for well connected porous systems where trapping is controlled by subtleties of the pore structure. The new model successfully predicts relative permeabilities and residual saturation for Bentheimer sandstone using in-situ measured contact angles as input to the simulations. The simulated trapped cluster size distributions are compared with predictions from percolation theory.

  12. Optimization of two-phase R600a ejector geometries using a non-equilibrium CFD model

    International Nuclear Information System (INIS)

    Lee, Moon Soo; Lee, Hoseong; Hwang, Yunho; Radermacher, Reinhard; Jeong, Hee-Moon

    2016-01-01

    Highlights: • Empirical mass transfer coefficient correlation is built based on Weber number. • Developed model is validated in terms of the e and DP. • A set of Pareto solutions is obtained from MOGA based OAAO method. • DP is improved up to 10,379 Pa with the same e of the baseline. • e is enhanced up to 0.782 with the same DP of the baseline case. - Abstract: A vapor compression cycle, which is typically utilized for the heat pump, air conditioning and refrigeration systems, has inherent thermodynamic losses associated with expansion and compression processes. To minimize these losses and improve the energy efficiency of the vapor compression cycle, an ejector can be applied. However, due to the occurrence of complex physics i.e., non-equilibrium flashing compressible flow in the nozzle with possible shock interactions, it has not been feasible to model or optimize the design of a two-phase ejector. In this study, a homogeneous, non-equilibrium, two-phase flow computational fluid dynamics (CFD) model in a commercial code is used with an in-house empirical correlation for the mass transfer coefficient and real gas properties to perform a geometric optimization of a two-phase ejector. The model is first validated with experimental data of an ejector with R600a as the working fluid. After that, the design parameters of the ejector are optimized using multi-objective genetic algorithm (MOGA) based online approximation-assisted optimization (OAAO) approaches to find the maximum performance.

  13. Non-equilibrium supramolecular polymerization.

    Science.gov (United States)

    Sorrenti, Alessandro; Leira-Iglesias, Jorge; Markvoort, Albert J; de Greef, Tom F A; Hermans, Thomas M

    2017-09-18

    Supramolecular polymerization has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional assemblies reside at the global minimum of the Gibbs free energy. The pathway and rate to reach the equilibrium state are irrelevant, and the resulting assemblies remain unchanged over time. In the past decade, the focus has shifted to kinetically trapped (non-dissipative non-equilibrium) structures that heavily depend on the method of preparation (i.e., pathway complexity), and where the assembly rates are of key importance. Kinetic models have greatly improved our understanding of competing pathways, and shown how to steer supramolecular polymerization in the desired direction (i.e., pathway selection). The most recent innovation in the field relies on energy or mass input that is dissipated to keep the system away from the thermodynamic equilibrium (or from other non-dissipative states). This tutorial review aims to provide the reader with a set of tools to identify different types of self-assembled states that have been explored so far. In particular, we aim to clarify the often unclear use of the term "non-equilibrium self-assembly" by subdividing systems into dissipative, and non-dissipative non-equilibrium states. Examples are given for each of the states, with a focus on non-dissipative non-equilibrium states found in one-dimensional supramolecular polymerization.

  14. Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach

    Energy Technology Data Exchange (ETDEWEB)

    Duchemin, Ivan, E-mail: ivan.duchemin@cea.fr [INAC, SP2M/L-Sim, CEA/UJF Cedex 09, 38054 Grenoble (France); Jacquemin, Denis [Laboratoire CEISAM - UMR CNR 6230, Université de Nantes, 2 Rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3 (France); Institut Universitaire de France, 1 rue Descartes, 75005 Paris Cedex 5 (France); Blase, Xavier [CNRS, Inst. NÉEL, F-38000 Grenoble (France); Univ. Grenoble Alpes, Inst. NÉEL, F-38000 Grenoble (France)

    2016-04-28

    We have implemented the polarizable continuum model within the framework of the many-body Green’s function GW formalism for the calculation of electron addition and removal energies in solution. The present formalism includes both ground-state and non-equilibrium polarization effects. In addition, the polarization energies are state-specific, allowing to obtain the bath-induced renormalisation energy of all occupied and virtual energy levels. Our implementation is validated by comparisons with ΔSCF calculations performed at both the density functional theory and coupled-cluster single and double levels for solvated nucleobases. The present study opens the way to GW and Bethe-Salpeter calculations in disordered condensed phases of interest in organic optoelectronics, wet chemistry, and biology.

  15. A KDE-Based Random Walk Method for Modeling Reactive Transport With Complex Kinetics in Porous Media

    Science.gov (United States)

    Sole-Mari, Guillem; Fernà ndez-Garcia, Daniel; Rodríguez-Escales, Paula; Sanchez-Vila, Xavier

    2017-11-01

    In recent years, a large body of the literature has been devoted to study reactive transport of solutes in porous media based on pure Lagrangian formulations. Such approaches have also been extended to accommodate second-order bimolecular reactions, in which the reaction rate is proportional to the concentrations of the reactants. Rather, in some cases, chemical reactions involving two reactants follow more complicated rate laws. Some examples are (1) reaction rate laws written in terms of powers of concentrations, (2) redox reactions incorporating a limiting term (e.g., Michaelis-Menten), or (3) any reaction where the activity coefficients vary with the concentration of the reactants, just to name a few. We provide a methodology to account for complex kinetic bimolecular reactions in a fully Lagrangian framework where each particle represents a fraction of the total mass of a specific solute. The method, built as an extension to the second-order case, is based on the concept of optimal Kernel Density Estimator, which allows the concentrations to be written in terms of particle locations, hence transferring the concept of reaction rate to that of particle location distribution. By doing so, we can update the probability of particles reacting without the need to fully reconstruct the concentration maps. The performance and convergence of the method is tested for several illustrative examples that simulate the Advection-Dispersion-Reaction Equation in a 1-D homogeneous column. Finally, a 2-D application example is presented evaluating the need of fully describing non-bilinear chemical kinetics in a randomly heterogeneous porous medium.

  16. A non-equilibrium model for soil heating and moisture transport during extreme surface heating: The soil (heat-moisture-vapor) HMV-Model Version

    Science.gov (United States)

    William Massman

    2015-01-01

    Increased use of prescribed fire by land managers and the increasing likelihood of wildfires due to climate change require an improved modeling capability of extreme heating of soils during fires. This issue is addressed here by developing and testing the soil (heat-moisture-vapor) HMVmodel, a 1-D (one-dimensional) non-equilibrium (liquid- vapor phase change)...

  17. Systematic validation of non-equilibrium thermochemical models using Bayesian inference

    KAUST Repository

    Miki, Kenji

    2015-10-01

    © 2015 Elsevier Inc. The validation process proposed by Babuška et al. [1] is applied to thermochemical models describing post-shock flow conditions. In this validation approach, experimental data is involved only in the calibration of the models, and the decision process is based on quantities of interest (QoIs) predicted on scenarios that are not necessarily amenable experimentally. Moreover, uncertainties present in the experimental data, as well as those resulting from an incomplete physical model description, are propagated to the QoIs. We investigate four commonly used thermochemical models: a one-temperature model (which assumes thermal equilibrium among all inner modes), and two-temperature models developed by Macheret et al. [2], Marrone and Treanor [3], and Park [4]. Up to 16 uncertain parameters are estimated using Bayesian updating based on the latest absolute volumetric radiance data collected at the Electric Arc Shock Tube (EAST) installed inside the NASA Ames Research Center. Following the solution of the inverse problems, the forward problems are solved in order to predict the radiative heat flux, QoI, and examine the validity of these models. Our results show that all four models are invalid, but for different reasons: the one-temperature model simply fails to reproduce the data while the two-temperature models exhibit unacceptably large uncertainties in the QoI predictions.

  18. Porous media fluid transport and pore structure

    CERN Document Server

    Dullien, F A L

    1992-01-01

    This book examines the relationship between transport properties and pore structure of porous material. Models of pore structure are presented with a discussion of how such models can be used to predict the transport properties of porous media. Portions of the book are devoted to interpretations of experimental results in this area and directions for future research. Practical applications are given where applicable, and are expected to be useful for a large number of different fields, including reservoir engineering, geology, hydrogeology, soil science, chemical process engineering, biomedica

  19. Non equilibrium atomic processes and plasma spectroscopy

    International Nuclear Information System (INIS)

    Kato, Takako

    2003-01-01

    Along with the technical progress in plasma spectroscopy, non equilibrium ionization processes have been recently observed. We study non local thermodynamic equilibrium and non ionization equilibrium for various kinds of plasmas. Specifically we discuss non equilibrium atomic processes in magnetically confined plasmas, solar flares and laser produced plasmas using a collisional radiative model based on plasma spectroscopic data. (author)

  20. Reduced Order Modeling for Non-equilibrium Radiation Hydrodynamics of Base Flow and Wakes: Enabling Manned Missions to Mars

    Data.gov (United States)

    National Aeronautics and Space Administration — Understanding non-equilibrium chemical kinetics and its interaction with radiation and fluid mechanics in hypersonic flows remains one of the largest obstacles to...

  1. Abnormal grain growth: a non-equilibrium thermodynamic model for multi-grain binary systems

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Jiří; Fischer, F. D.

    2014-01-01

    Roč. 22, č. 1 (2014), Art . No. 015013 ISSN 0965-0393 Institutional support: RVO:68081723 Keywords : grain boundary segregation * abnormal grain growth * theory * modelling * solute drag Subject RIV: BJ - Thermodynamics Impact factor: 2.167, year: 2014

  2. Equilibrium and non-equilibrium concepts in forest genetic modelling: population- and individually-based approaches

    OpenAIRE

    Kramer, Koen; van der Werf, D. C.

    2010-01-01

    The environment is changing and so are forests, in their functioning, in species composition, and in the species’ genetic composition. Many empirical and process-based models exist to support forest management. However, most of these models do not consider the impact of environmental changes and forest management on genetic diversity nor on the rate of adaptation of critical plant processes. How genetic diversity and rates of adaptation depend on management actions is a crucial next step in m...

  3. Monte Carlo estimates of interfacial tension in the two-dimensional Ising model from non-equilibrium methods

    International Nuclear Information System (INIS)

    Híjar, Humberto; Sutmann, Godehard

    2008-01-01

    Non-equilibrium methods for estimating free energy differences are used in order to calculate the interfacial tension between domains with opposite magnetizations in two-dimensional Ising lattices. Non-equilibrium processes are driven by changing the boundary conditions for two opposite sides of the lattice from periodic to antiperiodic and vice versa. This mechanism, which promotes the appearance and disappearance of the interface, is studied by means of Monte Carlo simulations performed at different rates and using different algorithms, thus allowing for testing the applicability of non-equilibrium methods for processes driven far from or close to equilibrium. Interfaces in lattices with different widths and heights are studied and the interface tension as a function of these quantities is obtained. It is found that the estimates of the interfacial tension from non-equilibrium procedures are in good agreement with previous reports as well as with exact results. The efficiency of the different procedures used is analyzed and the dynamics of the interface under these perturbations is briefly discussed. A method for determining the efficiency of non-equilibrium methods as regards thermodynamic perturbation is also presented. It is found that for all cases studied, the Crooks non-equilibrium method for estimating free energy differences is the most efficient one

  4. Damage spreading for one-dimensional, non-equilibrium models with parity conserving phase transitions

    CERN Document Server

    Ódor, G; Odor, Geza; Menyhard, Nora

    1998-01-01

    The damage spreading (DS) transitions of two one-dimensional stochastic cellular automata suggested by Grassberger (A and B) and the kinetic Ising model of Menyhárd (NEKIM) have been investigated on the level of kinks and spins. On the level of spins the parity conservation is not satisfied and therefore studying these models provides a convenient tool to understand the dependence of DS properties on symmetries. For the model B the critical point and the DS transition point is well separated and directed percolation damage spreading transition universality was found for spin damage as well as for kink damage in spite of the conservation of damage variables modulo 2 in the latter case. For the A stochastic cellular automaton, and the NEKIM model the two transition points coincide with drastic effects on the damage of spin and kink variables showing different time dependent behaviours. While the kink DS transition is continuous and shows regular PC class universality, the spin damage exhibits a discontinuous p...

  5. A Non-Equilibrium Sediment Transport Model for Coastal Inlets and Navigation Channels

    Science.gov (United States)

    2011-01-01

    combined, and therefore, there is one less partial differential equation to be solved. The short-term channel infilling and migration in two laboratory...oscillatory sheet flow: Experiments and bed load modeling. Coastal Engineering, 46(1), 61-87. Exner, F. M. 1925. Uber die Wechselwirkung zwischen

  6. Diffusion of oriented particles in porous media

    Energy Technology Data Exchange (ETDEWEB)

    Haber, René [Institut für Physik, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Centre for Nonlinear Studies, Institute of Cybernetics at Tallinn University of Technology, Akadeemia tee 21, 12618 Tallinn (Estonia); Prehl, Janett [Institut für Physik, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Herrmann, Heiko [Centre for Nonlinear Studies, Institute of Cybernetics at Tallinn University of Technology, Akadeemia tee 21, 12618 Tallinn (Estonia); Hoffmann, Karl Heinz, E-mail: hoffmann@physik.tu-chemnitz.de [Institut für Physik, Technische Universität Chemnitz, D-09107 Chemnitz (Germany)

    2013-11-29

    Diffusion of particles in porous media often shows subdiffusive behavior. Here, we analyze the dynamics of particles exhibiting an orientation. The features we focus on are geometrical restrictions and the dynamical consequences of the interactions between the local surrounding structure and the particle orientation. This interaction can lead to particles getting temporarily stuck in parts of the structure. Modeling this interaction by a particular random walk dynamics on fractal structures we find that the random walk dimension is not affected while the diffusion constant shows a variety of interesting and surprising features.

  7. Diffusion of oriented particles in porous media

    International Nuclear Information System (INIS)

    Haber, René; Prehl, Janett; Herrmann, Heiko; Hoffmann, Karl Heinz

    2013-01-01

    Diffusion of particles in porous media often shows subdiffusive behavior. Here, we analyze the dynamics of particles exhibiting an orientation. The features we focus on are geometrical restrictions and the dynamical consequences of the interactions between the local surrounding structure and the particle orientation. This interaction can lead to particles getting temporarily stuck in parts of the structure. Modeling this interaction by a particular random walk dynamics on fractal structures we find that the random walk dimension is not affected while the diffusion constant shows a variety of interesting and surprising features.

  8. A Tightly Coupled Non-Equilibrium Magneto-Hydrodynamic Model for Inductively Coupled RF Plasmas

    Science.gov (United States)

    2016-02-29

    development a tightly coupled magneto-hydrodynamic model for Inductively Coupled Radio- Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE...for Inductively Coupled Radio-Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State...Inductively Coupled Plasma (ICP) torches have wide range of possible applications which include deposition of metal coatings, synthesis of ultra-fine powders

  9. Comparison of Vibrational Relaxation Modeling for Strongly Non-Equilibrium Flows

    Science.gov (United States)

    2014-01-01

    important pro- cess in a wide range of high speed flows. High temperature shock layers that form in front of hypersonic vehicles can lead to significant...continuum flows for use in traditional Computational Fluid Dynamics ( CFD ) and non-continuum flows for use with rarefied flow de- scriptions, such as the...145 .98 4396 V. Summary and Conclusions The form of two vibrational relaxation models that are commonly used in DSMC and CFD simula- tions have been

  10. An ab initio chemical reaction model for the direct simulation Monte Carlo study of non-equilibrium nitrogen flows.

    Science.gov (United States)

    Mankodi, T K; Bhandarkar, U V; Puranik, B P

    2017-08-28

    A new ab initio based chemical model for a Direct Simulation Monte Carlo (DSMC) study suitable for simulating rarefied flows with a high degree of non-equilibrium is presented. To this end, Collision Induced Dissociation (CID) cross sections for N 2 +N 2 →N 2 +2N are calculated and published using a global complete active space self-consistent field-complete active space second order perturbation theory N 4 potential energy surface and quasi-classical trajectory algorithm for high energy collisions (up to 30 eV). CID cross sections are calculated for only a selected set of ro-vibrational combinations of the two nitrogen molecules, and a fitting scheme based on spectroscopic weights is presented to interpolate the CID cross section for all possible ro-vibrational combinations. The new chemical model is validated by calculating equilibrium reaction rate coefficients that can be compared well with existing shock tube and computational results. High-enthalpy hypersonic nitrogen flows around a cylinder in the transition flow regime are simulated using DSMC to compare the predictions of the current ab initio based chemical model with the prevailing phenomenological model (the total collision energy model). The differences in the predictions are discussed.

  11. Non-equilibrium entanglement in a driven many-body spin-boson model

    Energy Technology Data Exchange (ETDEWEB)

    Bastidas, Victor M; Reina, John H [Universidad del Valle, Departamento de Fisica, A. A. 25360, Cali (Colombia); Brandes, Tobias, E-mail: vicmabas@univalle.edu.c, E-mail: j.reina-estupinan@physics.ox.ac.u [Institut fuer Theoretische Physik, Technische Universitaet Berlin, Hardenbergstr. 36, 10623 Berlin (Germany)

    2009-05-01

    We study the entanglement dynamics in the externally-driven single-mode Dicke model in the thermodynamic limit, when the field is in resonance with the atoms. We compute the correlations in the atoms-field ground state by means of the density operator that represents the pure state of the universe and the reduced density operator for the atoms, which results from taking the partial trace over the field coordinates. As a measure of bipartite entanglement, we calculate the linear entropy, from which we analyze the entanglement dynamics. In particular, we found a strong relation between the stability of the dynamical parameters and the reported entanglement.

  12. Spectral-Lagrangian methods for collisional models of non-equilibrium statistical states

    International Nuclear Information System (INIS)

    Gamba, Irene M.; Tharkabhushanam, Sri Harsha

    2009-01-01

    We propose a new spectral Lagrangian based deterministic solver for the non-linear Boltzmann transport equation (BTE) in d-dimensions for variable hard sphere (VHS) collision kernels with conservative or non-conservative binary interactions. The method is based on symmetries of the Fourier transform of the collision integral, where the complexity in its computation is reduced to a separate integral over the unit sphere S d-1 . The conservation of moments is enforced by Lagrangian constraints. The resulting scheme, implemented in free space, is very versatile and adjusts in a very simple manner to several cases that involve energy dissipation due to local micro-reversibility (inelastic interactions) or elastic models of slowing down process. Our simulations are benchmarked with available exact self-similar solutions, exact moment equations and analytical estimates for the homogeneous Boltzmann equation, both for elastic and inelastic VHS interactions. Benchmarking of the simulations involves the selection of a time self-similar rescaling of the numerical distribution function which is performed using the continuous spectrum of the equation for Maxwell molecules as studied first in Bobylev et al. [A.V. Bobylev, C. Cercignani, G. Toscani, Proof of an asymptotic property of self-similar solutions of the Boltzmann equation for granular materials, Journal of Statistical Physics 111 (2003) 403-417] and generalized to a wide range of related models in Bobylev et al. [A.V. Bobylev, C. Cercignani, I.M. Gamba, On the self-similar asymptotics for generalized non-linear kinetic Maxwell models, Communication in Mathematical Physics, in press. URL: ( )]. The method also produces accurate results in the case of inelastic diffusive Boltzmann equations for hard spheres (inelastic collisions under thermal bath), where overpopulated non-Gaussian exponential tails have been conjectured in computations by stochastic methods [T.V. Noije, M. Ernst, Velocity distributions in homogeneously

  13. Abnormal grain growth: a non-equilibrium thermodynamic model for multi-grain binary systems

    International Nuclear Information System (INIS)

    Svoboda, J; Fischer, F D

    2014-01-01

    Abnormal grain growth as the abrupt growth of a group of the largest grains in a multi-grain system is treated within the context of unequal retardation of grain growth due to the segregation of solute atoms from the bulk of the grains into the grain boundaries. During grain boundary migration, the segregated solute atoms are dragged under a small driving force or left behind the migrating grain boundary under a large driving force. Thus, the solute atoms in the grain boundaries of large grains, exhibiting a large driving force, can be released from the grain boundary. The mobility of these grain boundaries becomes significantly higher and abnormal grain growth is spontaneously provoked. The mean-field model presented here assumes that each grain is described by its grain radius and by its individual segregation parameter. The thermodynamic extremal principle is engaged to obtain explicit evolution equations for the radius and segregation parameter of each grain. Simulations of grain growth kinetics for various conditions of segregation with the same initial setting (100 000 grains with a given radius distribution) are presented. Depending on the diffusion coefficients of the solute in the grain boundaries, abnormal grain growth may be strongly or marginally pronounced. Solute segregation and drag can also significantly contribute to the stabilization of the grain structure. Qualitative agreement with several experimental results is reported. (paper)

  14. Asymptotics of the filtration problem for suspension in porous media

    Directory of Open Access Journals (Sweden)

    Kuzmina Ludmila Ivanovna

    2015-01-01

    Full Text Available The mechanical-geometric model of the suspension filtering in the porous media is considered. Suspended solid particles of the same size move with suspension flow through the porous media - a solid body with pores - channels of constant cross section. It is assumed that the particles pass freely through the pores of large diameter and are stuck at the inlet of pores that are smaller than the particle size. It is considered that one particle can clog only one small pore and vice versa. The particles stuck in the pores remain motionless and form a deposit. The concentrations of suspended and retained particles satisfy a quasilinear hyperbolic system of partial differential equations of the first order, obtained as a result of macro-averaging of micro-stochastic diffusion equations. Initially the porous media contains no particles and both concentrations are equal to zero; the suspension supplied to the porous media inlet has a constant concentration of suspended particles. The flow of particles moves in the porous media with a constant speed, before the wave front the concentrations of suspended and retained particles are zero. Assuming that the filtration coefficient is small we construct an asymptotic solution of the filtration problem over the concentration front. The terms of the asymptotic expansions satisfy linear partial differential equations of the first order and are determined successively in an explicit form. It is shown that in the simplest case the asymptotics found matches the known asymptotic expansion of the solution near the concentration front.

  15. Theory and numeric modelling of non-isothermal multiphase processes in NAPL-contaminated porous media; Theorie und numerische Modellierung nichtisothermer Mehrphasenprozesse in NAPL-kontaminierten poroesen Medien

    Energy Technology Data Exchange (ETDEWEB)

    Class, H.

    2000-07-01

    The author investigates the numeric simulation of physical processes in porous media. The development of the model and its components is described, and the model is validated by laboratory experiments. Differences from the discretization methods BOX and CVFE are discussed as well as the applicability of the multigrid method described for multicomponent approaches. [German] Bei der thermischen Sanierung NAPL-kontaminierter Standorte, z.B. durch Injektion von Wasserdampf und/oder Heissluft, treten nichtisotherme Mehrphasenprozesse auf, die in einem Modell durch eine Betrachtung der Stroemungs- und Transportprozesse als Mehrkomponentensystem beschrieben werden koennen. Dabei ist der Austausch thermischer Energie zwischen den Phasen untereinander und auch dem poroesen Medium selbst, wie auch der Uebergang von Massekomponenten zwischen den Phasen zu beruecksichtigen. Die vorliegende Arbeit behandelt die numerische Simulation derartiger physikalischer Vorgaenge in poroesen Medien. Ausgehend von der Problemstellung wird die Entwicklung eines konzeptionellen Modells (Kap. 2) sowie die Umsetzung der daraus resultierenden mathematischen Gleichungen und dazu erforderlichen Diskretisierungs- und Loesungsmethoden in numerische Algorithmen dargestellt (Kap. 3). Anschliessend wird in Kap. 4 die Faehigkeit des erstelten numerischen Modells ueberprueft, Problemstellungen in natuerlichen Systemen zu simulieren (Vergleich mit Laborexperimenten); ausserdem werden Unterschiede der Diskretisierungsverfahren BOX und CVFE sowie die Anwendbarkeit des in dieser Arbeit fuer Mehrkomponentenformulierungen erweiterten Mehrgitterverfahrens diskutiert. (orig.)

  16. Simulation of uncompressible fluid flow through a porous media

    Energy Technology Data Exchange (ETDEWEB)

    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.

  17. Simulation of uncompressible fluid flow through a porous media

    International Nuclear Information System (INIS)

    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.

  18. Toward a comprehensive UV laser ablation modeling of multicomponent materials—A non-equilibrium investigation on titanium carbide

    Science.gov (United States)

    Ait Oumeziane, Amina; Parisse, Jean-Denis

    2018-05-01

    Titanium carbide (TiC) coatings of great quality can be produced using nanosecond pulsed laser deposition (PLD). Because the deposition rate and the transfer of the target stoichiometry depend strongly on the laser-target/laser-plasma interaction as well as the composition of the laser induced plume, investigating the ruling fundamental mechanisms behind the material ablation and the plasma evolution in the background environment under PLD conditions is essential. This work, which extends previous investigations dedicated to the study of nanosecond laser ablation of pure target materials, is a first step toward a comprehensive non-equilibrium model of multicomponent ones. A laser-material interaction model coupled to a laser-plasma interaction one is presented. A UV 20 ns KrF (248 nm) laser pulse is considered. Ablation depths, plasma ignition thresholds, and shielding rates have been calculated for a wide range of laser beam fluences. A comparison of TiC behavior with pure titanium material under the same conditions is made. Plasma characteristics such as temperature and composition have been investigated. An overall correlation between the various results is presented.

  19. Classical and Quantum Models in Non-Equilibrium Statistical Mechanics: Moment Methods and Long-Time Approximations

    Directory of Open Access Journals (Sweden)

    Ramon F. Alvarez-Estrada

    2012-02-01

    Full Text Available We consider non-equilibrium open statistical systems, subject to potentials and to external “heat baths” (hb at thermal equilibrium at temperature T (either with ab initio dissipation or without it. Boltzmann’s classical equilibrium distributions generate, as Gaussian weight functions in momenta, orthogonal polynomials in momenta (the position-independent Hermite polynomialsHn’s. The moments of non-equilibrium classical distributions, implied by the Hn’s, fulfill a hierarchy: for long times, the lowest moment dominates the evolution towards thermal equilibrium, either with dissipation or without it (but under certain approximation. We revisit that hierarchy, whose solution depends on operator continued fractions. We review our generalization of that moment method to classical closed many-particle interacting systems with neither a hb nor ab initio dissipation: with initial states describing thermal equilibrium at T at large distances but non-equilibrium at finite distances, the moment method yields, approximately, irreversible thermalization of the whole system at T, for long times. Generalizations to non-equilibrium quantum interacting systems meet additional difficulties. Three of them are: (i equilibrium distributions (represented through Wigner functions are neither Gaussian in momenta nor known in closed form; (ii they may depend on dissipation; and (iii the orthogonal polynomials in momenta generated by them depend also on positions. We generalize the moment method, dealing with (i, (ii and (iii, to some non-equilibrium one-particle quantum interacting systems. Open problems are discussed briefly.

  20. Modeling and Analysis of Magnetic Nanoparticles Injection in Water-Oil Two-Phase Flow in Porous Media under Magnetic Field Effect

    KAUST Repository

    El-Amin, Mohamed; Saad, Adel; Salama, Amgad; Sun, Shuyu

    2017-01-01

    In this paper, the magnetic nanoparticles are injected into a water-oil, two-phase system under the influence of an external permanent magnetic field. We lay down the mathematical model and provide a set of numerical exercises of hypothetical cases to show how an external magnetic field can influence the transport of nanoparticles in the proposed two-phase system in porous media. We treat the water-nanoparticles suspension as a miscible mixture, whereas it is immiscible with the oil phase. The magnetization properties, the density, and the viscosity of the ferrofluids are obtained based on mixture theory relationships. In the mathematical model, the phase pressure contains additional term to account for the extra pressures due to fluid magnetization effect and the magnetostrictive effect. As a proof of concept, the proposed model is applied on a countercurrent imbibition flow system in which both the displacing and the displaced fluids move in opposite directions. Physical variables, including waternanoparticles suspension saturation, nanoparticles concentration, and pore wall/throat concentrations of deposited nanoparticles, are investigated under the influence of the magnetic field. Two different locations of the magnet are studied numerically, and variations in permeability and porosity are considered.

  1. Numerical modelling of biophysicochemical effects on multispecies reactive transport in porous media involving Pseudomonas putida for potential microbial enhanced oil recovery application.

    Science.gov (United States)

    Sivasankar, P; Rajesh Kanna, A; Suresh Kumar, G; Gummadi, Sathyanarayana N

    2016-07-01

    pH and resident time of injected slug plays a critical role in characterizing the reservoir for potential microbial enhanced oil recovery (MEOR) application. To investigate MEOR processes, a multispecies (microbes-nutrients) reactive transport model in porous media was developed by coupling kinetic and transport model. The present work differs from earlier works by explicitly determining parametric values required for kinetic model by experimental investigations using Pseudomonas putida at different pH conditions and subsequently performing sensitivity analysis of pH, resident time and water saturation on concentrations of microbes, nutrients and biosurfactant within reservoir. The results suggest that nutrient utilization and biosurfactant production are found to be maximum at pH 8 and 7.5 respectively. It is also found that the sucrose and biosurfactant concentrations are highly sensitive to pH rather than reservoir microbial concentration, while at larger resident time and water saturation, the microbial and nutrient concentrations were lesser due to enhanced dispersion. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. Modeling and Analysis of Magnetic Nanoparticles Injection in Water-Oil Two-Phase Flow in Porous Media under Magnetic Field Effect

    KAUST Repository

    El-Amin, Mohamed

    2017-08-28

    In this paper, the magnetic nanoparticles are injected into a water-oil, two-phase system under the influence of an external permanent magnetic field. We lay down the mathematical model and provide a set of numerical exercises of hypothetical cases to show how an external magnetic field can influence the transport of nanoparticles in the proposed two-phase system in porous media. We treat the water-nanoparticles suspension as a miscible mixture, whereas it is immiscible with the oil phase. The magnetization properties, the density, and the viscosity of the ferrofluids are obtained based on mixture theory relationships. In the mathematical model, the phase pressure contains additional term to account for the extra pressures due to fluid magnetization effect and the magnetostrictive effect. As a proof of concept, the proposed model is applied on a countercurrent imbibition flow system in which both the displacing and the displaced fluids move in opposite directions. Physical variables, including waternanoparticles suspension saturation, nanoparticles concentration, and pore wall/throat concentrations of deposited nanoparticles, are investigated under the influence of the magnetic field. Two different locations of the magnet are studied numerically, and variations in permeability and porosity are considered.

  3. Comparison of three labeled silica nanoparticles used as tracers in transport experiments in porous media. Part II: Transport experiments and modeling

    International Nuclear Information System (INIS)

    Vitorge, Elsa; Szenknect, Stéphanie; Martins, Jean M.-F.; Barthès, Véronique; Gaudet, Jean-Paul

    2014-01-01

    Three types of labeled silica nanoparticles were used in transport experiments in saturated sand. The goal of this study was to evaluate both the efficiency of labeling techniques (fluorescence (FITC), metal (Ag(0) core) and radioactivity ( 110m Ag(0) core)) in realistic transport conditions and the reactive transport of silica nanocolloids of variable size and concentration in porous media. Experimental results obtained under contrasted experimental conditions revealed that deposition in sand is controlled by nanoparticles size and ionic strength of the solution. A mathematical model is proposed to quantitatively describe colloid transport. Fluorescent labeling is widely used to study fate of colloids in soils but was the less sensitive one. Ag(0) labeling with ICP-MS detection was found to be very sensitive to measure deposition profiles. Radiolabeled ( 110m Ag(0)) nanoparticles permitted in situ detection. Results obtained with radiolabeled nanoparticles are wholly original and might be used for improving the modeling of deposition and release dynamics. -- Highlights: • Three kinds of labeled nanotracers were used in transport experiments in sand columns. • They were used as surrogates of silica nanoparticles or mineral colloid. • Deposition depending on colloid size and ionic strength was observed and modeled. • Fluorescence labeling had the worse detection limit but was the more convenient. • Radiolabeled nanotracers were detected in situ in a non destructive way. -- Follow the kinetics of transport, deposition and release of silica nanoparticles with suitably labeled nanoparticles

  4. THE ABUNDANCE OF MOLECULAR HYDROGEN AND ITS CORRELATION WITH MIDPLANE PRESSURE IN GALAXIES: NON-EQUILIBRIUM, TURBULENT, CHEMICAL MODELS

    International Nuclear Information System (INIS)

    Mac Low, Mordecai-Mark; Glover, Simon C. O.

    2012-01-01

    Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R mol and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H 2 from cold atomic gas. The formation timescale for H 2 is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H 2 formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H 2 formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H 2 . The observed correlation of R mol with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R mol with density. If we examine the value of R mol in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

  5. The Abundance of Molecular Hydrogen and Its Correlation with Midplane Pressure in Galaxies: Non-equilibrium, Turbulent, Chemical Models

    Science.gov (United States)

    Mac Low, Mordecai-Mark; Glover, Simon C. O.

    2012-02-01

    Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R mol and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H2 from cold atomic gas. The formation timescale for H2 is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H2 formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H2 formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H2. The observed correlation of R mol with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R mol with density. If we examine the value of R mol in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

  6. Non-equilibrium thermodynamics

    CERN Document Server

    De Groot, Sybren Ruurds

    1984-01-01

    The study of thermodynamics is especially timely today, as its concepts are being applied to problems in biology, biochemistry, electrochemistry, and engineering. This book treats irreversible processes and phenomena - non-equilibrium thermodynamics.S. R. de Groot and P. Mazur, Professors of Theoretical Physics, present a comprehensive and insightful survey of the foundations of the field, providing the only complete discussion of the fluctuating linear theory of irreversible thermodynamics. The application covers a wide range of topics: the theory of diffusion and heat conduction, fluid dyn

  7. Particle transport in porous media

    Science.gov (United States)

    Corapcioglu, M. Yavuz; Hunt, James R.

    The migration and capture of particles (such as colloidal materials and microorganisms) through porous media occur in fields as diversified as water and wastewater treatment, well drilling, and various liquid-solid separation processes. In liquid waste disposal projects, suspended solids can cause the injection well to become clogged, and groundwater quality can be endangered by suspended clay and silt particles because of migration to the formation adjacent to the well bore. In addition to reducing the permeability of the soil, mobile particles can carry groundwater contaminants adsorbed onto their surfaces. Furthermore, as in the case of contamination from septic tanks, the particles themselves may be pathogens, i.e., bacteria and viruses.

  8. Scaling theory of drying in porous media

    International Nuclear Information System (INIS)

    Tsimpanogiannis, I.N.; Yortsos, Y.C.; Poulou, S.; Kanellopoulos, N.; Stubos, A.K.

    1999-01-01

    Concepts of immiscible displacements in porous media driven by mass transfer are utilized to model drying of porous media. Visualization experiments of drying in two-dimensional glass micromodels are conducted to identify pore-scale mechanisms. Then, a pore network approach is used to analyze the advancing drying front. It is shown that in a porous medium, capillarity induces a flow that effectively limits the extent of the front, which would otherwise be of the percolation type, to a finite width. In conjuction with the predictions of a macroscale stable front, obtained from a linear stability analysis, the process is shown to be equivalent to invasion percolation in a stabilizing gradient. A power-law scaling relation of the front width with a diffusion-based capillary number is also obtained. This capillary number reflects the fact that drying is controlled by diffusion in contrast to external drainage. The scaling exponent predicted is compatible with the experimental results of Shaw [Phys Rev. Lett. 59, 1671 (1987)]. A framework for a continuum description of the upstream drying regimes is also developed. copyright 1999 The American Physical Society

  9. A Fractal Study on the Effective Thermal Conductivity of Porous Media

    Science.gov (United States)

    Qin, X.; Cai, J.; Wei, W.

    2017-12-01

    Thermal conduction in porous media has steadily received attention in science and engineering, for instance, exploiting and utilizing the geothermal energy, developing the oil-gas resource, ground water flow in hydrothermal systems and investigating the potential host nuclear wastes, etc. The thermal conductivity is strongly influenced by the microstructure features of porous media. In this work, based on the fractal characteristics of the grains, a theoretical model of effective thermal conductivity is proposed for saturated and unsaturated porous media. It is found that the proposed effective thermal conductivity solution is a function of geometrical parameters of porous media, such as the porosity, fractal dimension of granular matrix and the thermal conductivity of the grains and pore fluid. The model predictions are compared with existing experimental data and the results show that they are in good agreement with existing experimental data. The proposed model may provide a better understanding of the physical mechanisms of thermal transfer in porous media than conventional models.

  10. Development of numerical simulation method for gas migration through highly-compacted bentonite using model of two-phase flow through deformable porous media

    International Nuclear Information System (INIS)

    Tanaka, Yukihisa

    2011-01-01

    In the current concept of repository for radioactive waste disposal, compacted bentonite will be used as an engineered barrier mainly for inhibiting migration of radioactive nuclides. Hydrogen gas can be generated inside of the engineered barrier by anaerobic corrosion of metals used for containers, etc. It is expected to be not easy for gas to entering into the bentonite as a discrete gaseous phase because the pore of compacted bentonite is so minute. Therefore it is necessary to investigate the effect of gas pressure generation and gas migration on the engineered barrier, peripheral facilities and ground. In this study, a method for simulating gas migration through the compacted bentonite is proposed. The proposed method can analyze coupled hydrological-mechanical processes using the model of two-phase flow through deformable porous media. Validity of the proposed analytical method is examined by comparing gas migration test results with the calculated results, which revealed that the proposed method can simulate gas migration behavior through compacted bentonite with accuracy. (author)

  11. A phase-field lattice Boltzmann model for simulating multiphase flows in porous media: Application and comparison to experiments of CO2 sequestration at pore scale

    Science.gov (United States)

    Fakhari, Abbas; Li, Yaofa; Bolster, Diogo; Christensen, Kenneth T.

    2018-04-01

    We implement a phase-field based lattice-Boltzmann (LB) method for numerical simulation of multiphase flows in heterogeneous porous media at pore scales with wettability effects. The present method can handle large density and viscosity ratios, pertinent to many practical problems. As a practical application, we study multiphase flow in a micromodel representative of CO2 invading a water-saturated porous medium at reservoir conditions, both numerically and experimentally. We focus on two flow cases with (i) a crossover from capillary fingering to viscous fingering at a relatively small capillary number, and (ii) viscous fingering at a relatively moderate capillary number. Qualitative and quantitative comparisons are made between numerical results and experimental data for temporal and spatial CO2 saturation profiles, and good agreement is found. In particular, a correlation analysis shows that any differences between simulations and results are comparable to intra-experimental differences from replicate experiments. A key conclusion of this work is that system behavior is highly sensitive to boundary conditions, particularly inlet and outlet ones. We finish with a discussion on small-scale flow features, such as the emergence of strong recirculation zones as well as flow in which the residual phase is trapped, including a close look at the detailed formation of a water cone. Overall, the proposed model yields useful information, such as the spatiotemporal evolution of the CO2 front and instantaneous velocity fields, which are valuable for understanding the mechanisms of CO2 infiltration at the pore scale.

  12. Quantification and Control of Wall Effects in Porous Media Experiments

    Science.gov (United States)

    Roth, E. J.; Mays, D. C.; Neupauer, R.; Crimaldi, J. P.

    2017-12-01

    Fluid flow dynamics in porous media are dominated by media heterogeneity. This heterogeneity can create preferential pathways in which local seepage velocities dwarf system seepage velocities, further complicating an already incomplete understanding of dispersive processes. In physical models of porous media flows, apparatus walls introduce preferential flow paths (i.e., wall effects) that may overwhelm other naturally occurring preferential pathways within the apparatus, leading to deceptive results. We used planar laser-induced fluorescence (PLIF) in conjunction with refractive index matched (RIM) porous media and pore fluid to observe fluid dynamics in the porous media, with particular attention to the region near the apparatus walls in a 17 cm x 8 cm x 7 cm uniform flow cell. Hexagonal close packed spheres were used to create an isotropic, homogenous porous media field in the interior of the apparatus. Visualization of the movement of a fluorescent dye revealed the influence of the wall in creating higher permeability preferential flow paths in an otherwise homogenous media packing. These preferential flow paths extended approximately one half of one sphere diameter from the wall for homogenously packed regions, with a quickly diminishing effect on flow dynamics for homogenous media adjacent to the preferential pathway, but with major influence on flow dynamics for adjoining heterogeneous regions. Multiple approaches to mitigate wall effects were investigated, and a modified wall was created such that the fluid dynamics near the wall mimics the fluid dynamics within the homogenous porous media. This research supports the design of a two-dimensional experimental apparatus that will simulate engineered pumping schemes for use in contaminant remediation. However, this research could benefit the design of fixed bed reactors or other engineering challenges in which vessel walls contribute to unwanted preferential flow.

  13. Modeling the Non-Equilibrium Process of the Chemical Adsorption of Ammonia on GaN(0001) Reconstructed Surfaces Based on Steepest-Entropy-Ascent Quantum Thermodynamics.

    Science.gov (United States)

    Kusaba, Akira; Li, Guanchen; von Spakovsky, Michael R; Kangawa, Yoshihiro; Kakimoto, Koichi

    2017-08-15

    Clearly understanding elementary growth processes that depend on surface reconstruction is essential to controlling vapor-phase epitaxy more precisely. In this study, ammonia chemical adsorption on GaN(0001) reconstructed surfaces under metalorganic vapor phase epitaxy (MOVPE) conditions (3Ga-H and N ad -H + Ga-H on a 2 × 2 unit cell) is investigated using steepest-entropy-ascent quantum thermodynamics (SEAQT). SEAQT is a thermodynamic-ensemble based, first-principles framework that can predict the behavior of non-equilibrium processes, even those far from equilibrium where the state evolution is a combination of reversible and irreversible dynamics. SEAQT is an ideal choice to handle this problem on a first-principles basis since the chemical adsorption process starts from a highly non-equilibrium state. A result of the analysis shows that the probability of adsorption on 3Ga-H is significantly higher than that on N ad -H + Ga-H. Additionally, the growth temperature dependence of these adsorption probabilities and the temperature increase due to the heat of reaction is determined. The non-equilibrium thermodynamic modeling applied can lead to better control of the MOVPE process through the selection of preferable reconstructed surfaces. The modeling also demonstrates the efficacy of DFT-SEAQT coupling for determining detailed non-equilibrium process characteristics with a much smaller computational burden than would be entailed with mechanics-based, microscopic-mesoscopic approaches.

  14. Upscaling of flow in porous media from a tracer perspective

    NARCIS (Netherlands)

    Berentsen, C.W.J.

    2003-01-01

    Most of our knowledge of flow in porous media is obtained at the pore and the macro scale. For reservoir scale modelling it is not practical to model the flow at these fine scales. Considering the usual objectives (e.g. large scale flow pattern and production forecast) it is undesirable to have to

  15. Brine transport in porous media self-similar solutions

    NARCIS (Netherlands)

    C.J. van Duijn (Hans); L.A. Peletier (Bert); R.J. Schotting (Ruud)

    1996-01-01

    textabstractIn this paper we analyze a model for brine transport in porous media, which includes a mass balance for the fluid, a mass balance for salt, Darcy's law and an equation of state, which relates the fluid density to the salt mass fraction. This model incorporates the effect of local volume

  16. Lattice-Boltzmann Modeling of Community Challenge MicrofluidicExperiments to Evaluate the Effects of Wettability on Two-Fluid Flowin Porous Media

    Science.gov (United States)

    Miller, C. T.; McClure, J. E.; Bruning, K.

    2017-12-01

    Variations in the wettability of a solid material are well known to affect the flow of two fluids in a porous media. However, thesemechanisms have not been modeled with high fidelity at the microscale and such mechanisms are typically not included in macroscalemodels. Recent experimental work by Zhao, MacMinn, and Juanes published in the Proceedings of the National Academy of Sciences(2016) has investigated two-fluid displacement in microfluidic cells. Displacement patterns were investigated as a function of thecontact angle and the capillary number for both drainage and imbibition. These results yielded new mechanistic understanding ofprocesses such as pore filling and post bridging, which were imaged at high resolution. In a challenge to the pore-scale modeling community,the authors of this work released their experimental data and encouraged an international set of modeling research groups tosimulate the conditions that were experimentally observed. The intent is to compare the results that materialize to shed new light on thestate-of-science in pore-scale simulation of these challenging and interesting flow systems. In this work, we summarize the experimentalfindings and report on initial efforts to simulate these community challenge experiments using a high-resolution lattice-Boltzmann method(LBM). A three-dimensional, multiple-relaxation-time color model based on a 19-site lattice is advanced in this work to matchexperimental conditions in a novel manner. A computational approach is implemented for the LBM method on hybrid CPU-GPU nodes and shown toscale near optimally. A new algorithm is described to match experimental boundary conditions. A grid-resolution study is performedto determine the resolution needed to determine grid-independent numerical approximations. Finally, the LBM simulation results arecompared to the highly resolved microfluidic experiments, displacement mechanisms are investigated, and observations and analysis of thetopological state

  17. Acoustic Wave Monitoring of Biofilm Development in Porous Media

    Science.gov (United States)

    Biofilm development in porous media can result in significant changes to the hydrogeological properties of subsurface systems with implications for fluid flow and contaminant transport. As such, a number of numerical models and simulations have been developed in an attempt to qua...

  18. Coupled electric and transport phenomena in porous media

    NARCIS (Netherlands)

    Li, Shuai

    2014-01-01

    The coupled electrical and transport properties of clay-containing porous media are the topics of interest in this study. Both experimental and numerical (pore network modeling) techniques are employed to gain insight into the macro-scale interaction between electrical and solute transport phenomena

  19. Porous media: Analysis, reconstruction and percolation

    DEFF Research Database (Denmark)

    Rogon, Thomas Alexander

    1995-01-01

    functions of Gaussian fields and spatial autocorrelation functions of binary fields. An enhanced approach which embodies semi-analytical solutions for the conversions has been made. The scope and limitations of the method have been analysed in terms of realizability of different model correlation functions...... stereological methods. The measured sample autocorrelations are modeled by analytical correlation functions. A method for simulating porous networks from their porosity and spatial correlation originally developed by Joshi (14) is presented. This method is based on a conversion between spatial autocorrelation...... in binary fields. Percolation threshold of reconstructed porous media has been determined for different discretizations of a selected model correlation function. Also critical exponents such as the correlation length exponent v, the strength of the infinite network and the mean size of finite clusters have...

  20. Thermal flow in porous media

    International Nuclear Information System (INIS)

    Ene, H.I.; Poliwevski, D.

    1987-01-01

    Thermal flows in porous media are important in a wide range of areas: oil recovery, geothermal development, chemical and nuclear industry, civil engineering, energy storage and energy conversion. This book uses a systematic, rigorous and unified treatment to provide a general understanding of the phenomena involved. General equations for single- or multiphase flows (including an arbitrary number of components inside each phase), diffusion and chemical reactions are presented. The boundary conditions which may be imposed, the non-dimensional para meters, the structures of the solutions, the stability of the finite amplitude solutions and many other related topics ae also studied. Although the treatment is basically mathematical, specific physical problems are also dealt with. There are two major fields of applications: natural convection and underground combustion. Both are discussed in detail. Various examples with exact or numerical solutions, for the case of bounded or unbounded domains, are presented, accompanied by extensive comment

  1. Parametric study of boiling heat transfer in porous media

    International Nuclear Information System (INIS)

    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

  2. Evaporation Limited Radial Capillary Penetration in Porous Media.

    Science.gov (United States)

    Liu, Mingchao; Wu, Jian; Gan, Yixiang; Hanaor, Dorian A H; Chen, C Q

    2016-09-27

    The capillary penetration of fluids in thin porous layers is of fundamental interest in nature and various industrial applications. When capillary flows occur in porous media, the extent of penetration is known to increase with the square root of time following the Lucas-Washburn law. In practice, volatile liquid evaporates at the surface of porous media, which restricts penetration to a limited region. In this work, on the basis of Darcy's law and mass conservation, a general theoretical model is developed for the evaporation-limited radial capillary penetration in porous media. The presented model predicts that evaporation decreases the rate of fluid penetration and limits it to a critical radius. Furthermore, we construct a unified phase diagram that describes the limited penetration in an annular porous medium, in which the boundaries of outward and inward liquid are predicted quantitatively. It is expected that the proposed theoretical model will advance the understanding of penetration dynamics in porous media and facilitate the design of engineered porous architectures.

  3. Eigenvector centrality for geometric and topological characterization of porous media

    Science.gov (United States)

    Jimenez-Martinez, Joaquin; Negre, Christian F. A.

    2017-07-01

    Solving flow and transport through complex geometries such as porous media is computationally difficult. Such calculations usually involve the solution of a system of discretized differential equations, which could lead to extreme computational cost depending on the size of the domain and the accuracy of the model. Geometric simplifications like pore networks, where the pores are represented by nodes and the pore throats by edges connecting pores, have been proposed. These models, despite their ability to preserve the connectivity of the medium, have difficulties capturing preferential paths (high velocity) and stagnation zones (low velocity), as they do not consider the specific relations between nodes. Nonetheless, network theory approaches, where a complex network is a graph, can help to simplify and better understand fluid dynamics and transport in porous media. Here we present an alternative method to address these issues based on eigenvector centrality, which has been corrected to overcome the centralization problem and modified to introduce a bias in the centrality distribution along a particular direction to address the flow and transport anisotropy in porous media. We compare the model predictions with millifluidic transport experiments, which shows that, albeit simple, this technique is computationally efficient and has potential for predicting preferential paths and stagnation zones for flow and transport in porous media. We propose to use the eigenvector centrality probability distribution to compute the entropy as an indicator of the "mixing capacity" of the system.

  4. Percolation theory for flow in porous media

    CERN Document Server

    Hunt, Allen; Ghanbarian, Behzad

    2014-01-01

    This monograph presents, for the first time, a unified and comprehensive introduction to some of the basic transport properties of porous media, such as electrical and hydraulic conductivity, air permeability and diffusion. The approach is based on critical path analysis and the scaling of transport properties, which are individually described as functions of saturation. At the same time, the book supplies a tutorial on percolation theory for hydrologists, providing them with the tools for solving actual problems. In turn, a separate chapter serves to introduce physicists to some of the language and complications of groundwater hydrology necessary for successful modeling. The end-of-chapter problems often indicate open questions, which young researchers entering the field can readily start working on. This significantly revised and expanded third edition includes in particular two new chapters: one on advanced fractal-based models, and one devoted to the discussion of various open issues such as the role of d...

  5. Modeling Transport in Fractured Porous Media with the Random-Walk Particle Method: The Transient Activity Range and the Particle-Transfer Probability

    International Nuclear Information System (INIS)

    Lehua Pan; G.S. Bodvarsson

    2001-01-01

    Multiscale features of transport processes in fractured porous media make numerical modeling a difficult task, both in conceptualization and computation. Modeling the mass transfer through the fracture-matrix interface is one of the critical issues in the simulation of transport in a fractured porous medium. Because conventional dual-continuum-based numerical methods are unable to capture the transient features of the diffusion depth into the matrix (unless they assume a passive matrix medium), such methods will overestimate the transport of tracers through the fractures, especially for the cases with large fracture spacing, resulting in artificial early breakthroughs. We have developed a new method for calculating the particle-transfer probability that can capture the transient features of diffusion depth into the matrix within the framework of the dual-continuum random-walk particle method (RWPM) by introducing a new concept of activity range of a particle within the matrix. Unlike the multiple-continuum approach, the new dual-continuum RWPM does not require using additional grid blocks to represent the matrix. It does not assume a passive matrix medium and can be applied to the cases where global water flow exists in both continua. The new method has been verified against analytical solutions for transport in the fracture-matrix systems with various fracture spacing. The calculations of the breakthrough curves of radionuclides from a potential repository to the water table in Yucca Mountain demonstrate the effectiveness of the new method for simulating 3-D, mountain-scale transport in a heterogeneous, fractured porous medium under variably saturated conditions

  6. Statistical model for suspension transport in porous media; Modelo estatistico para o transporte de suspensoes em meios porosos

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Adriano dos; Barros, Paulo [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil)

    2008-07-01

    An analytical model for transport of particulate suspensions in porous medium is discussed. The model takes microscopic rock characteristics into account and considers that size exclusion is the dominant particle retention mechanism. Analytical solutions for suspended and retained particle concentrations are obtained and the inverse problem is solved, allowing the filtration coefficients determination from experiments. The filtration coefficients for the proposed and the classical deep bed filtration models are calculated from experimental data available in the literature and the results are compared. Finally, it is shown that the proposed model tends to the classical deep bed filtration model when the particle retention probability tends to zero. (author)

  7. Time-dependent two-temperature chemically non-equilibrium modelling of high-power Ar-N2 pulse-modulated inductively coupled plasmas at atmospheric pressure

    International Nuclear Information System (INIS)

    Tanaka, Yasunori

    2006-01-01

    A time-dependent, two-dimensional, two-temperature and chemical non-equilibrium model was developed for high-power Ar-N 2 pulse-modulated inductively coupled plasmas (PMICPs) at atmospheric pressure. The high-power PMICP is a new technique for sustaining high-power induction plasmas. It can control the plasma temperature and radical densities in the time domain. The PMICP promotes non-equilibrium effects by a sudden application of electric field, even in the high-power density plasmas. The developed model accounts separately for the time-dependent energy conservation equations of electrons and heavy particles. This model also considers reaction heat effects and energy transfer between electrons and heavy particles as well as enthalpy flow resulting from diffusion caused by the particle density gradient. Chemical non-equilibrium effects are also taken into account by solving time-dependent mass conservation equations for each particle, considering diffusion, convection and net production terms resulting from 30 chemical reactions. Transport and thermodynamic properties of Ar-N 2 plasmas are calculated self-consistently using the first order approximation of the Chapman-Enskog method at each position and iteration using the local particle composition, heavy particle temperature and electron temperature. This model is useful to discuss time evolution in temperature, gas flow fields and distribution of chemical species

  8. Hybrid-dimensional modelling of two-phase flow through fractured porous media with enhanced matrix fracture transmission conditions

    Science.gov (United States)

    Brenner, Konstantin; Hennicker, Julian; Masson, Roland; Samier, Pierre

    2018-03-01

    In this work, we extend, to two-phase flow, the single-phase Darcy flow model proposed in [26], [12] in which the (d - 1)-dimensional flow in the fractures is coupled with the d-dimensional flow in the matrix. Three types of so called hybrid-dimensional two-phase Darcy flow models are proposed. They all account for fractures acting either as drains or as barriers, since they allow pressure jumps at the matrix-fracture interfaces. The models also permit to treat gravity dominated flow as well as discontinuous capillary pressure at the material interfaces. The three models differ by their transmission conditions at matrix fracture interfaces: while the first model accounts for the nonlinear two-phase Darcy flux conservations, the second and third ones are based on the linear single phase Darcy flux conservations combined with different approximations of the mobilities. We adapt the Vertex Approximate Gradient (VAG) scheme to this problem, in order to account for anisotropy and heterogeneity aspects as well as for applicability on general meshes. Several test cases are presented to compare our hybrid-dimensional models to the generic equi-dimensional model, in which fractures have the same dimension as the matrix, leading to deep insight about the quality of the proposed reduced models.

  9. Using x-ray tomography and lattice Boltzmann modeling to evaluate pore-scale processes in porous media

    DEFF Research Database (Denmark)

    Christensen, Britt Stenhøj Baun

    -teknik (Computed Tomography) til at visualisere og kvantificere de eksperimentelle poreskala systemer. Både en medicinsk CT-scanner og et synkrotron baseret skanningssystem med høj billede opløselighed blev anvendt. Numerisk modellering af poreskala processerne blev gjort ved hjælp af en lattice Boltzmann model...... for testning af en Shan-Chen lattice Boltzmann model. Ved anvendelse af simple veldefinerede to-fase systemer blev en kalibreringsprocedure skitseret til identificering af de dimensionsløse modelparametre og deres kobling til overfladespænding og kontaktvinkel egenskaberne af det fysiske system. Det blev taget...

  10. Parallel numerical modeling of hybrid-dimensional compositional non-isothermal Darcy flows in fractured porous media

    Science.gov (United States)

    Xing, F.; Masson, R.; Lopez, S.

    2017-09-01

    This paper introduces a new discrete fracture model accounting for non-isothermal compositional multiphase Darcy flows and complex networks of fractures with intersecting, immersed and non-immersed fractures. The so called hybrid-dimensional model using a 2D model in the fractures coupled with a 3D model in the matrix is first derived rigorously starting from the equi-dimensional matrix fracture model. Then, it is discretized using a fully implicit time integration combined with the Vertex Approximate Gradient (VAG) finite volume scheme which is adapted to polyhedral meshes and anisotropic heterogeneous media. The fully coupled systems are assembled and solved in parallel using the Single Program Multiple Data (SPMD) paradigm with one layer of ghost cells. This strategy allows for a local assembly of the discrete systems. An efficient preconditioner is implemented to solve the linear systems at each time step and each Newton type iteration of the simulation. The numerical efficiency of our approach is assessed on different meshes, fracture networks, and physical settings in terms of parallel scalability, nonlinear convergence and linear convergence.

  11. Unsteady free surface flow in porous media: One-dimensional model equations including vertical effects and seepage face

    Science.gov (United States)

    Di Nucci, Carmine

    2018-05-01

    This note examines the two-dimensional unsteady isothermal free surface flow of an incompressible fluid in a non-deformable, homogeneous, isotropic, and saturated porous medium (with zero recharge and neglecting capillary effects). Coupling a Boussinesq-type model for nonlinear water waves with Darcy's law, the two-dimensional flow problem is solved using one-dimensional model equations including vertical effects and seepage face. In order to take into account the seepage face development, the system equations (given by the continuity and momentum equations) are completed by an integral relation (deduced from the Cauchy theorem). After testing the model against data sets available in the literature, some numerical simulations, concerning the unsteady flow through a rectangular dam (with an impermeable horizontal bottom), are presented and discussed.

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

    Science.gov (United States)

    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.

  13. Numerical research of two-phase flow in fractured-porous media based on discrete fracture fetwork model

    Science.gov (United States)

    Pyatkov, A. A.; Kosyakov, V. P.; Rodionov, S. P.; Botalov, A. Y.

    2018-03-01

    In this work was the study of the processes of isothermal and non-isothermal flow of high viscosity oil in a fractured-porous reservoir. The numerical experiment was done using our own reservoir simulator with the possibility of modeling of fluid motion in conditions of non-isothermal processes and long fractures in the formation.

  14. Modeling of coupled heat transfer and reactive transport processes in porous media: Application to seepage studies at Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Mukhopadhyay, Sumit; Sonnenthal, Eric L.; Spycher, Nicolas

    2007-01-01

    When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO2 volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored. However

  15. Modeling of coupled heat transfer and reactive transport processes in porous media: Application to seepage studies at Yucca Mountain, Nevada

    International Nuclear Information System (INIS)

    Mukhopadhyay, S.; Sonnenthal, E.L.; Spycher, N.

    2007-01-01

    When hot radioactive waste is placed in subsurface tunnels, a series of complex changes occurs in the surrounding medium. The water in the pore space of the medium undergoes vaporization and boiling. Subsequently, vapor migrates out of the matrix pore space, moving away from the tunnel through the permeable fracture network. This migration is propelled by buoyancy, by the increased vapor pressure caused by heating and boiling, and through local convection. In cooler regions, the vapor condenses on fracture walls, where it drains through the fracture network. Slow imbibition of water thereafter leads to gradual rewetting of the rock matrix. These thermal and hydrological processes also bring about chemical changes in the medium. Amorphous silica precipitates from boiling and evaporation, and calcite from heating and CO 2 volatilization. The precipitation of amorphous silica, and to a much lesser extent calcite, results in long-term permeability reduction. Evaporative concentration also results in the precipitation of gypsum (or anhydrite), halite, fluorite and other salts. These evaporative minerals eventually redissolve after the boiling period is over, however, their precipitation results in a significant temporary decrease in permeability. Reduction of permeability is also associated with changes in fracture capillary characteristics. In short, the coupled thermal-hydrological-chemical (THC) processes dynamically alter the hydrological properties of the rock. A model based on the TOUGHREACT reactive transport software is presented here to investigate the impact of THC processes on flow near an emplacement tunnel at Yucca Mountain, Nevada. We show how transient changes in hydrological properties caused by THC processes often lead to local flow channeling and saturation increases above the tunnel. For models that include only permeability changes to fractures, such local flow channeling may lead to seepage relative to models where THC effects are ignored. However

  16. Effect of particle size on droplet infiltration into hydrophobic porous media as a model of water repellent soil.

    Science.gov (United States)

    Hamlett, Christopher A E; Shirtcliffe, Neil J; McHale, Glen; Ahn, Sujung; Bryant, Robert; Doerr, Stefan H; Newton, Michael I

    2011-11-15

    The wettability of soil is of great importance for plants and soil biota, and in determining the risk for preferential flow, surface runoff, flooding,and soil erosion. The molarity of ethanol droplet (MED) test is widely used for quantifying the severity of water repellency in soils that show reduced wettability and is assumed to be independent of soil particle size. The minimum ethanol concentration at which droplet penetration occurs within a short time (≤ 10 s) provides an estimate of the initial advancing contact angle at which spontaneous wetting is expected. In this study, we test the assumption of particle size independence using a simple model of soil, represented by layers of small (~0.2-2 mm) diameter beads that predict the effect of changing bead radius in the top layer on capillary driven imbibition. Experimental results using a three-layer bead system show broad agreement with the model and demonstrate a dependence of the MED test on particle size. The results show that the critical initial advancing contact angle for penetration can be considerably less than 90° and varies with particle size, demonstrating that a key assumption currently used in the MED testing of soil is not necessarily valid.

  17. A numerical model for density-and-viscosity-dependent flows in two-dimensional variably saturated porous media

    Science.gov (United States)

    Boufadel, Michel C.; Suidan, Makram T.; Venosa, Albert D.

    1999-04-01

    We present a formulation for water flow and solute transport in two-dimensional variably saturated media that accounts for the effects of the solute on water density and viscosity. The governing equations are cast in a dimensionless form that depends on six dimensionless groups of parameters. These equations are discretized in space using the Galerkin finite element formulation and integrated in time using the backward Euler scheme with mass lumping. The modified Picard method is used to linearize the water flow equation. The resulting numerical model, the MARUN model, is verified by comparison to published numerical results. It is then used to investigate beach hydraulics at seawater concentration (about 30 g l -1) in the context of nutrients delivery for bioremediation of oil spills on beaches. Numerical simulations that we conducted in a rectangular section of a hypothetical beach revealed that buoyancy in the unsaturated zone is significant in soils that are fine textured, with low anisotropy ratio, and/or exhibiting low physical dispersion. In such situations, application of dissolved nutrients to a contaminated beach in a freshwater solution is superior to their application in a seawater solution. Concentration-engendered viscosity effects were negligible with respect to concentration-engendered density effects for the cases that we considered.

  18. Dual continuum models of fully coupled non-isothermal multiphase flow and reactive transport in porous media

    International Nuclear Information System (INIS)

    Zheng, L.; Samper, J.

    2005-01-01

    Full text of publication follows: Double porosity, double permeability and dual continuum models (DCM) are widely used for modeling preferential water flow and mass transport in unsaturated and fractured media. Here we present a DCM of fully coupled non-isothermal multiphase flow and reactive transport model for the FEBEX compacted bentonite, a material which exhibits a double porosity behavior.. FEBEX (Full-scale Engineered Barrier EXperiment) is a demonstration and research project dealing with the bentonite engineered barrier designed for sealing and containment of a high level radioactive waste repository. Our DCM considers inter-aggregate macro-pores, and intra-aggregate and interlayer micro-pores. Two types of DCMs are tested: the dual continuum connected matrix (DCCM) and the dual continuum dis connected matrix (DCDM). Liquid flow in macro-pores is described with a mass conservation equation accounting for Darcian flow, chemical and thermal osmosis. In DCCM, water flux in micropores is calculated with a modified Darcy's law by adding a chemical osmosis term. A simple mass balance equation is used for DCDM which contains a storage and a water exchange term for water in micropores. A mixed type of water exchange term is adopted which includes a second order term accounting for water transfer due to the difference in liquid pressure and a first order term accounting for the gradient in chemical osmosis pressure. Equations of mass conservation for liquid, gas and heat in macro-pores and liquid mass conservation in micropores are solved by using a Newton-Raphson method. Two transport equations with a coupling interaction term are used to describe solute transport in macro- and micro-pores. The coupling term contains a first order diffusion term and a convection term (solute exchange due to water exchange). Transport equations as well as chemical reactions in the two domains are solved by means of a sequential iteration method. All these feature have been

  19. Seepage Characteristics Study on Power-Law Fluid in Fractal Porous Media

    Directory of Open Access Journals (Sweden)

    Meijuan Yun

    2014-01-01

    Full Text Available We present fractal models for the flow rate, velocity, effective viscosity, apparent viscosity, and effective permeability for power-law fluid based on the fractal properties of porous media. The proposed expressions realize the quantitative description to the relation between the properties of the power-law fluid and the parameters of the microstructure of the porous media. The model predictions are compared with related data and good agreement between them is found. The analytical expressions will contribute to the revealing of physical principles for the power-law fluid flow in porous media.

  20. Nernst-Planck Based Description of Transport, Coulombic Interactions and Geochemical Reactions in Porous Media: Modeling Approach and Benchmark Experiments

    DEFF Research Database (Denmark)

    Rolle, Massimo; Sprocati, Riccardo; Masi, Matteo

    2018-01-01

    ‐ but also under advection‐dominated flow regimes. To accurately describe charge effects in flow‐through systems, we propose a multidimensional modeling approach based on the Nernst‐Planck formulation of diffusive/dispersive fluxes. The approach is implemented with a COMSOL‐PhreeqcRM coupling allowing us......, and high‐resolution experimental datasets. The latter include flow‐through experiments that have been carried out in this study to explore the effects of electrostatic interactions in fully three‐dimensional setups. The results of the simulations show excellent agreement for all the benchmarks problems...... the quantification and visualization of the specific contributions to the diffusive/dispersive Nernst‐Planck fluxes, including the Fickian component, the term arising from the activity coefficient gradients, and the contribution due to electromigration....

  1. A 2-D FEM thermal model to simulate water flow in a porous media: Campi Flegrei caldera case study

    Directory of Open Access Journals (Sweden)

    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

  2. Non-equilibrium modeling of UV laser induced plasma on a copper target in the presence of Cu{sup 2+}

    Energy Technology Data Exchange (ETDEWEB)

    Ait Oumeziane, Amina, E-mail: a.aitoumeziane@gmail.com; Liani, Bachir [Laboratoire de Physique Théorique, Abou Beker Blekaid University (Algeria); Parisse, Jean-Denis [IUSTI UMR CNRS 7343, Aix-Marseille University (France); French Air School, Salon de Provence (France)

    2016-03-15

    This work is a contribution to the understanding of UV laser ablation of a copper sample in the presence of Cu{sup 2+} species as well as electronic non-equilibrium in the laser induced plasma. This particular study extends a previous paper and develops a 1D hydrodynamic model to describe the behavior of the laser induced plume, including the thermal non-equilibrium between electrons and heavy particles. Incorporating the formation of doubly charged ions (Cu{sup 2+}) in such an approach has not been considered previously. We evaluate the effect of the presence of doubly ionized species on the characteristics of the plume, i.e., temperature, pressure, and expansion velocity, and on the material itself by evaluating the ablation depth and plasma shielding effects. This study evaluates the effects of the doubly charged species using a non-equilibrium hydrodynamic approach which comprises a contribution to the understanding of the governing processes of the interaction of ultraviolet nanosecond laser pulses with metals and the parameter optimization depending on the intended application.

  3. Colloid migration in porous media

    International Nuclear Information System (INIS)

    Hunt, J.R.; McDowell-Boyer; Sitar, N.

    1985-01-01

    Retention of radionuclides for long periods near waste repositories depends upon multiple barriers, one of which is adsorption to immobile solid surfaces. Since small particles and colloidal matter have high adsorption capacities per unit mass and can be mobile in subsurface flows, colloidal transport of waste components requires analysis. Theories for predicting colloid migration through porous media have been developed in the filtration literature. The applicability of filtration theories for predicting particle and colloid transport. Emphasis is on suspended matter much smaller than pore sizes, where physical and chemical forces control migration rather than size dependent physical straining. In general, experimentally verifiable theories exist for particle filtration by clean media, and a sensitivity analysis is possible on particle and media properties and fluid flow rate. When particle aggregates accumulate within pores, media permeability decreases, resulting in flow field alteration and possible radionuclide isolation. An analysis of the limited experimental data available indicates that present theories cannot predict long-term colloid transport when permeability reduction occurs. The coupling of colloid attachment processes and the hydrologic flow processes requires more extensive laboratory field research than has currently been carried out. An emphasis on the fundamental mechanisms is necessary to enhance long-term predictability

  4. Bonding Strength Effects in Hydro-Mechanical Coupling Transport in Granular Porous Media by Pore-Scale Modeling

    Directory of Open Access Journals (Sweden)

    Zhiqiang Chen

    2016-03-01

    Full Text Available The hydro-mechanical coupling transport process of sand production is numerically investigated with special attention paid to the bonding effect between sand grains. By coupling the lattice Boltzmann method (LBM and the discrete element method (DEM, we are able to capture particles movements and fluid flows simultaneously. In order to account for the bonding effects on sand production, a contact bond model is introduced into the LBM-DEM framework. Our simulations first examine the experimental observation of “initial sand production is evoked by localized failure” and then show that the bonding or cement plays an important role in sand production. Lower bonding strength will lead to more sand production than higher bonding strength. It is also found that the influence of flow rate on sand production depends on the bonding strength in cemented granular media, and for low bonding strength sample, the higher the flow rate is, the more severe the erosion found in localized failure zone becomes.

  5. Numerical analysis of a non equilibrium two-component two-compressible flow in porous media

    KAUST Repository

    Saad, Bilal Mohammed; Saad, Mazen Naufal B M

    2013-01-01

    of the mass exchange between dissolved hydrogen and hydrogen in the gas phase is supposed finite. The proposed finite volume scheme is fully implicit in time together with a phase-by-phase upwind approach in space and it is discretize the equations

  6. Slip-flow in complex porous media as determined by a multi-relaxation-time lattice Boltzmann model

    Science.gov (United States)

    Landry, C. J.; Prodanovic, M.; Eichhubl, P.

    2014-12-01

    The pores and throats of shales and mudrocks are predominantly found within a range of 1-100 nm, within this size range the flow of gas at reservoir conditions will fall within the slip-flow and low transition-flow regime (0.001 clays). Molecular dynamics (MD) simulations can be used to predict slip-flow in complex geometries, but due to prohibitive computational demand are generally limited to small volumes (one to several pores). Here we present a multi-relaxation-time lattice Boltzmann model (LBM) parameterized for slip-flow (Guo et al. 2008) and adapted here to complex geometries. LBMs are inherently parallelizable, such that flow in complex geometries of significant (near REV-scale) volumes can be readily simulated at a fraction of the computational cost of MD simulations. At the macroscopic-scale the LBM is parameterized with local effective viscosities at each node to capture the variance of the mean-free-path of gas molecules in a bounded system. The corrected mean-free-path for each lattice node is determined using the mean distance of the node to the pore-wall and Stop's correction for mean-free-paths in an infinite parallel-plate geometry. At the microscopic-scale, a combined bounce-back specular-reflection boundary condition is applied to the pore-wall nodes to capture Maxwellian-slip. The LBM simulation results are first validated in simple tube and channel geometries, where good agreement is found for Knudsen numbers below 0.1, and fair agreement is found for Knudsen numbers between 0.1 and 0.5. More complex geometries are then examined including triangular-ducts and ellipsoid-ducts, both with constant and tapering/expanding cross-sections, as well as a clay pore-network imaged from a hydrocarbon producing shale by sequential focused ion-beam scanning electron microscopy. These results are analyzed to determine grid-independent resolutions, and used to explore the relationship between effective permeability and Knudsen number in complex geometries.

  7. Thermal non-equilibrium in heterogeneous media

    CERN Document Server

    de Lemos, Marcelo J S

    2016-01-01

    This book presents, in a self-contained fashion, a series of studies on flow and heat transfer in porous media, in which distinct energy balances are considered for the porous matrix and for the permeating fluid. Detailed mathematical modeling is presented considering both volume and time averaging operators simultaneously applied to the governing equations. System involving combustion in the gaseous phase, moving bed and double-diffusion mechanism are analyzed. Numerical results are presented for each case. In the end, this book contains the description of a tool that might benefit engineers in developing and designing more efficient thermal equipment.

  8. Microbial Activity and Precipitation at Solution-Solution Mixing Zones in Porous Media -- Subsurface Biogeochemical Research

    Energy Technology Data Exchange (ETDEWEB)

    Colwell, Frederick [Oregon State Univ., Corvallis, OR (United States); Wildenschild, Dorthe [Oregon State Univ., Corvallis, OR (United States); Wood, Brian [Oregon State Univ., Corvallis, OR (United States); Gerlach, Robin [Montana State Univ., Bozeman, MT (United States); Mitchell, Andrew [Montana State Univ., Bozeman, MT (United States); Redden, George [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2014-08-29

    The goal for this research was to understand how best to add compounds to receptive microbial communities in porous media in order to achieve optimal calcite precipitation in a volumetrically significant space and to understand the physiological health of the cells that are responsible for the calcite precipitation. The specific objectives were to: (1) develop better tools for visually examining biofilms in porous media and calcium carbonate precipitation being mediated by microbes in porous media, and (2) demonstrate the effectiveness of using that tool within a flow cell model system.

  9. On the Coupling of Incompressible Stokes or Navier–Stokes and Darcy Flows Through Porous Media

    KAUST Repository

    Girault, V.; Kanschat, G.; Riviè re, B.

    2012-01-01

    In this chapter, we present the theoretical analysis of coupled incompressible Navier-Stokes (or Stokes) flows and Darcy flows with the Beavers-Joseph-Saffman interface condition. We discuss alternative interface and porous media models. We review

  10. Foam Transport in Porous Media - A Review

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Z. F.; Freedman, Vicky L.; Zhong, Lirong

    2009-11-11

    Amendment solutions with or without surfactants have been used to remove contaminants from soil. However, it has drawbacks such that the amendment solution often mobilizes the plume, and its movement is controlled by gravity and preferential flow paths. Foam is an emulsion-like, two-phase system in which gas cells are dispersed in a liquid and separated by thin liquid films called lamellae. Potential advantages of using foams in sub-surface remediation include providing better control on the volume of fluids injected, uniformity of contact, and the ability to contain the migration of contaminant laden liquids. It is expected that foam can serve as a carrier of amendments for vadose zone remediation, e.g., at the Hanford Site. As part of the U.S. Department of Energy’s EM-20 program, a numerical simulation capability will be added to the Subsurface Transport Over Multiple Phases (STOMP) flow simulator. The primary purpose of this document is to review the modeling approaches of foam transport in porous media. However, as an aid to understanding the simulation approaches, some experiments under unsaturated conditions and the processes of foam transport are also reviewed. Foam may be formed when the surfactant concentration is above the critical micelle concentration. There are two main types of foams – the ball foam (microfoam) and the polyhedral foam. The characteristics of bulk foam are described by the properties such as foam quality, texture, stability, density, surface tension, disjoining pressure, etc. Foam has been used to flush contaminants such as metals, organics, and nonaqueous phase liquids from unsaturated soil. Ball foam, or colloidal gas aphrons, reportedly have been used for soil flushing in contaminated site remediation and was found to be more efficient than surfactant solutions on the basis of weight of contaminant removed per gram of surfactant. Experiments also indicate that the polyhedral foam can be used to enhance soil remediation. The

  11. Non-Equilibrium Thermodynamics in Multiphase Flows

    CERN Document Server

    Mauri, Roberto

    2013-01-01

    Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irreversible processes. This book introduces non-equilibrium thermodynamics and its applications to the rheology of multiphase flows. The subject is relevant to graduate students in chemical and mechanical engineering, physics and material science. This book is divided into two parts. The first part presents the theory of non-equilibrium thermodynamics, reviewing its essential features and showing, when possible, some applications. The second part of this book deals with how the general theory can be applied to model multiphase flows and, in particular, how to determine their constitutive relations. Each chapter contains problems at the end, the solutions of which are given at the end of the book. No prior knowledge of statistical mechanics is required; the necessary prerequisites are elements of transport phenomena and on thermodynamics. “The style of the book is mathematical, but nonetheless it remains very re...

  12. Flow in porous media under the influence of thermal fields

    Energy Technology Data Exchange (ETDEWEB)

    Bories, S; Thirriot, C

    1970-01-01

    Fluid flow in porous media, including natural convection caused by temperature fields, is of particular importance in the exploitation of petroleum deposits. Laboratory experiments with a horizontal Hele-Shaw model in which the convection currents can be visually observed, are reported. The main observations are concerned with fairly stable flow regime cells and the velocity distribution. Photos of the flow, and graphs of the temperature distribution measured by interferometric methods, are given. The essential elements observed are well-represented by a simplified theory; at large Reynolds numbers, large temperature gradients have been observed in the vicinity of the isothermal boundaries. The temperature distribution can be expressed by a dimensionless law, and it seems possible to generalize the observations from the Hele-Shaw model to flow in porous media.

  13. Study of the effects of stress sensitivity on the permeability and porosity of fractal porous media

    International Nuclear Information System (INIS)

    Tan, Xiao-Hua; Li, Xiao-Ping; Liu, Jian-Yi; Zhang, Lie-Hui; Fan, Zhou

    2015-01-01

    Flow in porous media under stress is very important in various scientific and engineering fields. It has been shown that stress plays an important role in effect of permeability and porosity of porous media. In this work, novel predictive models for permeability and porosity of porous media considering stress sensitivity are developed based on the fractal theory and mechanics of materials. Every parameter in the proposed models has clear physical meaning. The proposed models are evaluated using previously published data for permeability and porosity measured in various natural materials. The predictions of permeability and porosity show good agreement with those obtained by the available experimental data and illustrate that the proposed models can be used to characterize the flow in porous media under stress accurately. - Highlights: • Predictive models for permeability and porosity of porous media considering stress sensitivity are developed. • The fractal theory and mechanics of materials are used in these models. • The predictions of permeability and porosity show good agreement with those obtained by the available experimental data. • The proposed models can be used to characterize the flow in porous media under stress accurately

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  15. Nonideal plasmas as non-equilibrium media

    International Nuclear Information System (INIS)

    Morozov, I V; Norman, G E; Valuev, A A; Valuev, I A

    2003-01-01

    Various aspects of the collective behaviour of non-equilibrium nonideal plasmas are studied. The relaxation of kinetic energy to the equilibrium state is simulated by the molecular dynamics (MD) method for two-component non-degenerate strongly non-equilibrium plasmas. The initial non-exponential stage, its duration and the subsequent exponential stage of the relaxation process are studied for a wide range of ion charge, nonideality parameter and ion mass. A simulation model of the nonideal plasma excited by an electron beam is proposed. An approach is developed to calculate the dynamic structure factor in non-stationary conditions. Instability increment is obtained from MD simulations

  16. Using pore-scale imaging and modeling to provide new insights in multi-phase flow, transport and reaction phenomena in porous media (Invited)

    Science.gov (United States)

    Bijeljic, B.; Andrew, M. G.; Menke, H. P.; Blunt, M. J.

    2013-12-01

    Advances in X ray imaging techniques made it possible not only to accurately describe solid and fluid(s) distributions in the pore space but also to study dynamics of multi-phase flow and reactive transport in-situ. This has opened up a range of new opportunities to better understand fundamental physics at the pore scale by experiment, and test and validate theoretical models in order to develop predictive tools at the pore scale and use it for upscaling. Firstly, we illustrate this concept by describing a new methodology for predicting non-Fickian transport in millimeter-sized three-dimensional micro-CT images of a beadpack, a sandstone, and a carbonate, representing porous media with an increasing degree of pore-scale complexity. The key strategy is to retain the full information on flow and transport signature of a porous medium by using probability distribution functions (PDFs) of voxel velocities for flow, and both PDFs of particle displacements and PDFs of particle transit times between voxels for transport. For this purpose, direct-simulation flow and transport model is used to analyse the relationship between pore structure, velocity, and the dynamics of the evolving plume. The model predictions for PDFs of particle displacements obtained by the model are in excellent agreement with those measured on similar cores in nuclear magnetic resonance experiments. A key determinant for non-Fickian transport is the spread in velocity distribution in the pore space. Further, we present micro-CT imaging of capillary trapping of scCO2 at reservoir conditions in a range of carbonates and sandstones having different pore structure and demonstrate that substantial quantities of scCO2 can be trapped in the pore space. Higher residual scCO2 saturations are found in sandstones compared to carbonates. The trapped ganglia exhibit different distribution of size, related to the inherent structure of pore space. Pore structures with large, open pores that are well connected lead

  17. FITTING OF THE DATA FOR DIFFUSION COEFFICIENTS IN UNSATURATED POROUS MEDIA

    Energy Technology Data Exchange (ETDEWEB)

    B. Bullard

    1999-05-01

    The purpose of this calculation is to evaluate diffusion coefficients in unsaturated porous media for use in the TSPA-VA analyses. Using experimental data, regression techniques were used to curve fit the diffusion coefficient in unsaturated porous media as a function of volumetric water content. This calculation substantiates the model fit used in Total System Performance Assessment-1995 An Evaluation of the Potential Yucca Mountain Repository (TSPA-1995), Section 6.5.4.

  18. FITTING OF THE DATA FOR DIFFUSION COEFFICIENTS IN UNSATURATED POROUS MEDIA

    International Nuclear Information System (INIS)

    B. Bullard

    1999-01-01

    The purpose of this calculation is to evaluate diffusion coefficients in unsaturated porous media for use in the TSPA-VA analyses. Using experimental data, regression techniques were used to curve fit the diffusion coefficient in unsaturated porous media as a function of volumetric water content. This calculation substantiates the model fit used in Total System Performance Assessment-1995 An Evaluation of the Potential Yucca Mountain Repository (TSPA-1995), Section 6.5.4

  19. Heat and mass transfer of liquid nitrogen in coal porous media

    Science.gov (United States)

    Lang, Lu; Chengyun, Xin; Xinyu, Liu

    2018-04-01

    Liquid nitrogen has been working as an important medium in fire extinguishing and prevention, due to its efficiency in oxygen exclusion and heat removal. Such a technique is especially crucial for coal industry in China. We built a tunnel model with a temperature monitor system (with 36 thermocouples installed) to experimentally study heat and mass transfer of liquid nitrogen in non-homogeneous coal porous media (CPM), and expected to optimize parameters of liquid nitrogen injection in engineering applications. Results indicate that injection location and amount of liquid nitrogen, together with air leakage, significantly affect temperature distribution in CPM, and non-equilibrium heat inside and outside of coal particles. The injection position of liquid nitrogen determines locations of the lowest CPM temperature and liquid nitrogen residual. In the deeper coal bed, coal particles take longer time to reach thermal equilibrium between their surface and inside. Air leakage accelerates temperature increase at the bottom of the coal bed, which is a major reason leading to fire prevention inefficiency. Measurement fluctuation of CPM temperature may be caused by incomplete contact of coal particles with liquid nitrogen flowing in the coal bed. Moreover, the secondary temperature drop (STD) happens and grows with the more injection of liquid nitrogen, and the STD phenomenon is explained through temperature distributions at different locations.

  20. Upscaling of Constitutive Relations In Unsaturated Heterogeneous Porous Media

    International Nuclear Information System (INIS)

    Liu, H. H.; Bodvarsson, G. S.

    2001-01-01

    When numerical model are used for modeling field scale flow and transport processes in the subsurface, the problem of ''upscaling'' arises. Typical scales, corresponding to spatial resolutions of subsurface heterogeneity in numerical models, are generally much larger than the measurement scale of the parameters and physical processes involved. The upscaling problems is, then, one of assigning parameters to gridblock scale based on parameter values measured on small scales. The focus of this study is to develop an approach to determine large-scale (upscaled) constitutive relations (relationships among relative permeability, capillary pressure and saturation) from small-scale measurements for porous media for a range of air entry values that are typical for the tuff matrix in the unsaturated zone of Yucca Mountain. For porous media with large air entry values, capillary forces play a key role in determining spatial water distribution at large-scales. Therefore, a relatively uniform capillary pressure approximately exists even for a large gridblock scale under steady state flow conditions. Based on these reasoning, we developed formulations that relate upscaled constitutive relations to ones measured at core-scale. Numerical experiments with stochastically generated heterogeneous porous media were used to evaluate the upscaling formulations

  1. A numerical study of EGS heat extraction process based on a thermal non-equilibrium model for heat transfer in subsurface porous heat reservoir

    Science.gov (United States)

    Chen, Jiliang; Jiang, Fangming

    2016-02-01

    With a previously developed numerical model, we perform a detailed study of the heat extraction process in enhanced or engineered geothermal system (EGS). This model takes the EGS subsurface heat reservoir as an equivalent porous medium while it considers local thermal non-equilibrium between the rock matrix and the fluid flowing in the fractured rock mass. The application of local thermal non-equilibrium model highlights the temperature-difference heat exchange process occurring in EGS reservoirs, enabling a better understanding of the involved heat extraction process. The simulation results unravel the mechanism of preferential flow or short-circuit flow forming in homogeneously fractured reservoirs of different permeability values. EGS performance, e.g. production temperature and lifetime, is found to be tightly related to the flow pattern in the reservoir. Thermal compensation from rocks surrounding the reservoir contributes little heat to the heat transmission fluid if the operation time of an EGS is shorter than 15 years. We find as well the local thermal equilibrium model generally overestimates EGS performance and for an EGS with better heat exchange conditions in the heat reservoir, the heat extraction process acts more like the local thermal equilibrium process.

  2. Lattice gas automata simulations of flow through porous media

    International Nuclear Information System (INIS)

    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)

  3. Multiphase flow and transport in porous media

    Science.gov (United States)

    Parker, J. C.

    1989-08-01

    Multiphase flow and transport of compositionally complex fluids in geologic media is of importance in a number of applied problems which have major social and economic effects. In petroleum reservoir engineering, efficient recovery of energy reserves is the principal goal. Unfortunately, some of these hydrocarbons and other organic chemicals often find their way unwanted into the soils and groundwater supplies. Removal in the latter case is predicated on ensuring the public health and safety. In this paper, principles of modeling fluid flow in systems containing up to three fluid phases (namely, water, air, and organic liquid) are described. Solution of the governing equations for multiphase flow requires knowledge of functional relationships between fluid pressures, saturations, and permeabilities which may be formulated on the basis of conceptual models of fluid-porous media interactions. Mechanisms of transport in multicomponent multiphase systems in which species may partition between phases are also described, and the governing equations are presented for the case in which local phase equilibrium may be assumed. A number of hypothetical numerical problems are presented to illustrate the physical behavior of systems in which multiphase flow and transport arise.

  4. Fluid dynamics in porous media with Sailfish

    International Nuclear Information System (INIS)

    Coelho, Rodrigo C V; Neumann, Rodrigo F

    2016-01-01

    In this work we show the application of Sailfish to the study of fluid dynamics in porous media. Sailfish is an open-source software based on the lattice-Boltzmann method. This application of computational fluid dynamics is of particular interest to the oil and gas industry and the subject could be a starting point for an undergraduate or graduate student in physics or engineering. We built artificial samples of porous media with different porosities and used Sailfish to simulate the fluid flow through them in order to calculate their permeability and tortuosity. We also present a simple way to obtain the specific superficial area of porous media using Python libraries. To contextualise these concepts, we analyse the applicability of the Kozeny–Carman equation, which is a well-known permeability–porosity relation, to our artificial samples. (paper)

  5. Fluid dynamics in porous media with Sailfish

    Science.gov (United States)

    Coelho, Rodrigo C. V.; Neumann, Rodrigo F.

    2016-09-01

    In this work we show the application of Sailfish to the study of fluid dynamics in porous media. Sailfish is an open-source software based on the lattice-Boltzmann method. This application of computational fluid dynamics is of particular interest to the oil and gas industry and the subject could be a starting point for an undergraduate or graduate student in physics or engineering. We built artificial samples of porous media with different porosities and used Sailfish to simulate the fluid flow through them in order to calculate their permeability and tortuosity. We also present a simple way to obtain the specific superficial area of porous media using Python libraries. To contextualise these concepts, we analyse the applicability of the Kozeny-Carman equation, which is a well-known permeability-porosity relation, to our artificial samples.

  6. Formulation of similarity porous media systems

    International Nuclear Information System (INIS)

    Anderson, R.M.; Ford, W.T.; Ruttan, A.; Strauss, M.J.

    1982-01-01

    The mathematical formulation of the Porous Media System (PMS) describing two-phase, immiscible, compressible fluid flow in linear, homogeneous porous media is reviewed and expanded. It is shown that families of common vertex, coaxial parabolas and families of parallel lines are the only families of curves on which solutions of the PMS may be constant. A coordinate transformation is used to change the partial differential equations of the PMS to a system of ordinary differential equations, referred to as a similarity Porous Media System (SPMS), in which the independent variable denotes movement from curve to curve in a selected family of curves. Properties of solutions of the first boundary value problem are developed for the SPMS

  7. Particle retention in porous media: Applications to water injectivity decline

    Energy Technology Data Exchange (ETDEWEB)

    Wennberg, Kjell Erik

    1998-12-31

    This thesis studies the problem of migration and deposition of colloidal particles within porous media, theoretically and by computerized simulation. Special emphasis is put on the prediction of injectivity decline in water injection wells due to inherent particles in the injection water. The study of particle deposition within porous media requires a correct prediction of the deposition rate or filtration coefficient. A thorough review of the modeling approaches used in the past are combined with new ideas in order to arrive at an improved model for the prediction of the filtration coefficient. A new way of determining the transition time for the dominant deposition mechanism to change from internal deposition to external cake formation is proposed. From this fundamental theory, equations are given for water injectivity decline predictions. A computer program called WID for water injectivity decline predictions was developed. Using water quality, formation properties, injection rate/pressure and completion information as input, WID predicts decline in vertical and horizontal injection wells with openhole, perforated and fractured completions. The calculations agree fairly well with field data; in some cases the agreement is excellent. A poor match in a few cases indicates that more mechanisms may be responsible for injectivity decline than those presently accounted for by the simulator. The second part of the study deals with a theoretical investigation of the multi-dimensional nature of particle deposition in porous media. 112 refs., 100 figs., 9 tabs.

  8. Evolution and non-equilibrium physics

    DEFF Research Database (Denmark)

    Becker, Nikolaj; Sibani, Paolo

    2014-01-01

    We argue that the stochastic dynamics of interacting agents which replicate, mutate and die constitutes a non-equilibrium physical process akin to aging in complex materials. Specifically, our study uses extensive computer simulations of the Tangled Nature Model (TNM) of biological evolution...

  9. Application of the thermodynamic extremal principle to phase-field modeling of non-equilibrium solidification in multi-component alloys

    International Nuclear Information System (INIS)

    Zhang, Xiao; Wang, Haifeng; Kuang, Wangwang; Zhang, Jianbao

    2017-01-01

    Modeling of non-equilibrium solidification in multi-component alloys is of singular importance in microstructure control, which however owing to the complex systems with complex additional constraints is still an open problem. In this work, the thermodynamic extremal principle was applied to solve the complex additional constraints self-consistently in thermodynamics. Consequently, short-range solute redistribution and long-range solute diffusion that share the same mobility are integrated naturally into the solute diffusion equations, thus avoiding the introduction of additional kinetic coefficients (e.g. interface permeability) to describe solute redistribution. Application to the non-equilibrium solidification of Al-Si-Cu alloys shows that anomalous solute trapping and anomalous solute profiles within the diffuse interface could occur, thus highlighting the important effect of the interaction among the component elements on the interface kinetics. The current phase-field model might be preferred for simulations not only because of its simplest form of evolution equations but also its feasibility to increase the simulation efficiency by the “thin interface limit” analysis.

  10. The effect of a microscale fracture on dynamic capillary pressure of two-phase flow in porous media

    Science.gov (United States)

    Tang, Mingming; Lu, Shuangfang; Zhan, Hongbin; Wenqjie, Guo; Ma, Huifang

    2018-03-01

    Dynamic capillary pressure (DCP) effects, which is vital for predicting multiphase flow behavior in porous media, refers to the injection rate dependence capillary pressure observed during non-equilibrium displacement experiments. However, a clear picture of the effects of microscale fractures on DCP remains elusive. This study quantified the effects of microscale fractures on DCP and simulated pore-scale force and saturation change in fractured porous media using the multiphase lattice Boltzmann method (LBM). Eighteen simulation cases were carried out to calculate DCP as a function of wetting phase saturation. The effects of viscosity ratio and fracture orientation, aperture and length on DCP and DCP coefficient τ were investigated, where τ refers to the ratio of the difference of DCP and static capillary pressure (SCP) over the rate of wetting-phase saturation change versus time. Significant differences in τ values were observed between unfractured and fractured porous media. The τ values of fractured porous media were 1.1  × 104 Pa ms to 5.68 × 105 Pa ms, which were one or two orders of magnitude lower than those of unfractured porous media with a value of 4 × 106 Pa. ms. A horizontal fracture had greater effects on DCP and τ than a vertical fracture, given the same fracture aperture and length. This study suggested that a microscale fracture might result in large magnitude changes in DCP for two-phase flow.

  11. The Effect of Wettability Heterogeneity on Relative Permeability of Two-Phase Flow in Porous Media: A Lattice Boltzmann Study

    Science.gov (United States)

    Zhao, Jianlin; Kang, Qinjun; Yao, Jun; Viswanathan, Hari; Pawar, Rajesh; Zhang, Lei; Sun, Hai

    2018-02-01

    Relative permeability is a critical parameter characterizing multiphase flow in porous media and it is strongly dependent on the wettability. In many situations, the porous media are nonuniformly wet. To investigate the effect of wettability heterogeneity on relative permeability of two-phase flow in porous media, a multi-relaxation-time color-gradient lattice Boltzmann model is adopted to simulate oil/water two-phase flow in porous media with different oil-wet solid fractions. For the water phase, when the water saturation is high, the relative permeability of water increases with the increase of oil-wet solid fraction under a constant water saturation. However, as the water saturation decreases to an intermediate value (about 0.4-0.7), the relative permeability of water in fractionally wet porous media could be lower than that in purely water-wet porous media, meaning additional flow resistance exists in the fractionally wet porous media. For the oil phase, similar phenomenon is observed. This phenomenon is mainly caused by the wettability-related microscale fluid distribution. According to both our simulation results and theoretical analysis, it is found that the relative permeability of two-phase flow in porous media is strongly related to three parameters: the fluid saturation, the specific interfacial length of fluid, and the fluid tortuosity in the flow direction. The relationship between the relative permeability and these parameters under different capillary numbers is explored in this paper.

  12. Non-equilibrium Modeling of the Fe XVII 3C/3D Line Ratio in an Intense X-Ray Free-Electron Laser Excited Plasma

    Science.gov (United States)

    Loch, S. D.; Ballance, C. P.; Li, Y.; Fogle, M.; Fontes, C. J.

    2015-03-01

    Recent measurements using an X-ray Free Electron Laser (XFEL) and an Electron Beam Ion Trap at the Linac Coherent Light Source facility highlighted large discrepancies between the observed and theoretical values for the Fe xvii 3C/3D line intensity ratio. This result raised the question of whether the theoretical oscillator strengths may be significantly in error, due to insufficiencies in the atomic structure calculations. We present time-dependent spectral modeling of this experiment and show that non-equilibrium effects can dramatically reduce the predicted 3C/3D line intensity ratio, compared with that obtained by simply taking the ratio of oscillator strengths. Once these non-equilibrium effects are accounted for, the measured line intensity ratio can be used to determine a revised value for the 3C/3D oscillator strength ratio, giving a range from 3.0 to 3.5. We also provide a framework to narrow this range further, if more precise information about the pulse parameters can be determined. We discuss the implications of the new results for the use of Fe xvii spectral features as astrophysical diagnostics and investigate the importance of time-dependent effects in interpreting XFEL-excited plasmas.

  13. Computational and theoretical modeling of pH and flow effects on the early-stage non-equilibrium self-assembly of optoelectronic peptides

    Science.gov (United States)

    Mansbach, Rachael; Ferguson, Andrew

    Self-assembling π-conjugated peptides are attractive candidates for the fabrication of bioelectronic materials possessing optoelectronic properties due to electron delocalization over the conjugated peptide groups. We present a computational and theoretical study of an experimentally-realized optoelectronic peptide that displays triggerable assembly in low pH to resolve the microscopic effects of flow and pH on the non-equilibrium morphology and kinetics of assembly. Using a combination of molecular dynamics simulations and hydrodynamic modeling, we quantify the time and length scales at which convective flows employed in directed assembly compete with microscopic diffusion to influence assembly. We also show that there is a critical pH below which aggregation proceeds irreversibly, and quantify the relationship between pH, charge density, and aggregate size. Our work provides new fundamental understanding of pH and flow of non-equilibrium π-conjugated peptide assembly, and lays the groundwork for the rational manipulation of environmental conditions and peptide chemistry to control assembly and the attendant emergent optoelectronic properties. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award # DE-SC0011847, and by the Computational Science and Engineering Fellowship from the University of Illinois at Urbana-Champaign.

  14. Propagating discontinuities in ionized porous media

    NARCIS (Netherlands)

    Kraaijeveld, F.

    2009-01-01

    Ionized porous media swell or shrink under changing osmotic conditions. Examples of such materials are shales, clays, hydrogels and tissues. The materials are represented as a multi-phase material consisting of a solid part and a fluid part with fixed charges embedded in the solid matrix and counter

  15. Multiphase flow in porous media using CFD

    DEFF Research Database (Denmark)

    Hemmingsen, Casper Schytte; Walther, Jens Honore

    . This approach is widely used for single phase flow, but not for multiphase flow in porous media. This might be due to the complexity of introducing relative permeability and capillary pressure in the CFD solver.The introduction of relative permeability and capillary pressure may cause numerical instabilities...

  16. Macro-scale turbulence modelling for flows in porous media; Modelisation a l'echelle macroscopique d'un ecoulement turbulent au sein d'un milieu poreux

    Energy Technology Data Exchange (ETDEWEB)

    Pinson, F

    2006-03-15

    - This work deals with the macroscopic modeling of turbulence in porous media. It concerns heat exchangers, nuclear reactors as well as urban flows, etc. The objective of this study is to describe in an homogenized way, by the mean of a spatial average operator, turbulent flows in a solid matrix. In addition to this first operator, the use of a statistical average operator permits to handle the pseudo-aleatory character of turbulence. The successive application of both operators allows us to derive the balance equations of the kind of flows under study. Two major issues are then highlighted, the modeling of dispersion induced by the solid matrix and the turbulence modeling at a macroscopic scale (Reynolds tensor and turbulent dispersion). To this aim, we lean on the local modeling of turbulence and more precisely on the k - {epsilon} RANS models. The methodology of dispersion study, derived thanks to the volume averaging theory, is extended to turbulent flows. Its application includes the simulation, at a microscopic scale, of turbulent flows within a representative elementary volume of the porous media. Applied to channel flows, this analysis shows that even within the turbulent regime, dispersion remains one of the dominating phenomena within the macro-scale modeling framework. A two-scale analysis of the flow allows us to understand the dominating role of the drag force in the kinetic energy transfers between scales. Transfers between the mean part and the turbulent part of the flow are formally derived. This description significantly improves our understanding of the issue of macroscopic modeling of turbulence and leads us to define the sub-filter production and the wake dissipation. A f - <{epsilon}>f - <{epsilon}{sub w}>f model is derived. It is based on three balance equations for the turbulent kinetic energy, the viscous dissipation and the wake dissipation. Furthermore, a dynamical predictor for the friction coefficient is proposed. This model is then

  17. Modeling of turbulent flows in porous media and at the interface with a free fluid medium; Modelisation des ecoulements turbulents dans les milieux poreux et a l'interface avec un milieu libre

    Energy Technology Data Exchange (ETDEWEB)

    Chandesris, M

    2006-12-15

    This work deals with the numerical simulation of turbulent flows in the whole nuclear reactor core, using multi-scale approaches. First, a macroscopic turbulence model is built, based on a porous media approach, to describe the flow in the fuel assemblies part of the nuclear core. Then, we study the jump conditions that have to be applied at a free fluid/porous interface. A thorough analytical study is carried out for laminar flows. This study allows to answer some fundamental questions about the physical meaning of the jump conditions, the values of the jump parameters and the location of the interface. Using these results, jump conditions for turbulent flows are proposed. The model is then applied to the simulation of a turbulent flow in a simplified model of a reactor core. (author)

  18. Model non-equilibrium molecular dynamics simulations of heat transfer from a hot gold surface to an alkylthiolate self-assembled monolayer.

    Science.gov (United States)

    Zhang, Yue; Barnes, George L; Yan, Tianying; Hase, William L

    2010-05-07

    Model non-equilibrium molecular dynamics (MD) simulations are presented of heat transfer from a hot Au {111} substrate to an alkylthiolate self-assembled monolayer (H-SAM) to assist in obtaining an atomic-level understanding of experiments by Wang et al. (Z. Wang, J. A. Carter, A. Lagutchev, Y. K. Koh, N.-H. Seong, D. G. Cahill, and D. D. Dlott, Science, 2007, 317, 787). Different models are considered to determine how they affect the heat transfer dynamics. They include temperature equilibrated (TE) and temperature gradient (TG) thermostat models for the Au(s) surface, and soft and stiff S/Au(s) models for bonding of the S-atoms to the Au(s) surface. A detailed analysis of the non-equilibrium heat transfer at the heterogeneous interface is presented. There is a short time temperature gradient within the top layers of the Au(s) surface. The S-atoms heat rapidly, much faster than do the C-atoms in the alkylthiolate chains. A high thermal conductivity in the H-SAM, perpendicular to the interface, results in nearly identical temperatures for the CH(2) and CH(3) groups versus time. Thermal-induced disorder is analyzed for the Au(s) substrate, the S/Au(s) interface and the H-SAM. Before heat transfer occurs from the hot Au(s) substrate to the H-SAM, there is disorder at the S/Au(s) interface and within the alkylthiolate chains arising from heat-induced disorder near the surface of hot Au(s). The short-time rapid heating of the S-atoms enhances this disorder. The increasing disorder of H-SAM chains with time results from both disorder at the Au/S interface and heat transfer to the H-SAM chains.

  19. Numerical prediction of critical heat flux in nuclear fuel rod bundles with advanced three-fluid multidimensional porous media based model

    International Nuclear Information System (INIS)

    Zoran Stosic; Vladimir Stevanovic

    2005-01-01

    Full text of publication follows: The modern design of nuclear fuel rod bundles for Boiling Water Reactors (BWRs) is characterised with increased number of rods in the bundle, introduced part-length fuel rods and a water channel positioned along the bundle asymmetrically in regard to the centre of the bundle cross section. Such design causes significant spatial differences of volumetric heat flux, steam void fraction distribution, mass flux rate and other thermal-hydraulic parameters important for efficient cooling of nuclear fuel rods during normal steady-state and transient conditions. The prediction of the Critical Heat Flux (CHF) under these complex thermal-hydraulic conditions is of the prime importance for the safe and economic BWR operation. An efficient numerical method for the CHF prediction is developed based on the porous medium concept and multi-fluid two-phase flow models. Fuel rod bundle is observed as a porous medium with a two-phase flow through it. Coolant flow from the bundle entrance to the exit is characterised with the subsequent change of one-phase and several two-phase flow patterns. One fluid (one-phase) model is used for the prediction of liquid heating up in the bundle entrance region. Two-fluid modelling approach is applied to the bubbly and churn-turbulent vapour and liquid flows. Three-fluid modelling approach is applied to the annular flow pattern: liquid film on the rods wall, steam flow and droplets entrained in the steam stream. Every fluid stream in applied multi-fluid models is described with the mass, momentum and energy balance equations. Closure laws for the prediction of interfacial transfer processes are stated with the special emphasis on the prediction of the steam-water interface drag force, through the interface drag coefficient, and droplets entrainment and deposition rates for three-fluid annular flow model. The model implies non-equilibrium thermal and flow conditions. A new mechanistic approach for the CHF prediction

  20. Physical Properties of Fractured Porous Media

    Science.gov (United States)

    Mohammed, T. E.; Schmitt, D. R.

    2015-12-01

    The effect of fractures on the physical properties of porous media is of considerable interest to oil and gas exploration as well as enhanced geothermal systems and carbon capture and storage. This work represents an attempt to study the effect fractures have on multiple physical properties of rocks. An experimental technique to make simultaneous electric and ultrasonic measurements on cylindrical core plugs is developed. Aluminum end caps are mounted with ultrasonic transducers to transmit pules along the axis of the cylinder while non-polarizing electrodes are mounted on the sides of the core to make complex conductivity measurements perpendicular to the cylinder axis. Electrical measurements are made by applying a sinusoidal voltage across the measurement circuit that consist of a resister and the sample in series. The magnitude and phase of the signal across the sample is recorded relative to the input signal across a range of frequencies. Synthetic rock analogs are constructed using sintered glass beads with fractures imbedded in them. The fracture location, size and orientation are controlled and each fractured specimen has an unfractured counterpart. Porosity, Permeability, electrical conductivity and ultrasonic velocity measurements are conducted on each sample with the complex electrical conductivities recorded at frequencies from 10hz to 1 Mhz. These measurements allow us to examine the changes induced by these mesoscale fractures on the embedding porous medium. Of particular interest is the effect of fracture orientation on electrical conductivity of the rock. Seismic anisotropy caused by fractures is a well understood phenomenon with many rock physics models dedicated to its understanding. The effect of fractures on electrical conductivity is less well understood with electrical anisotropy scarcely investigated in the literature. None the less, using electrical conductivity to characterize fractures can add an extra constraint to characterization based

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

    International Nuclear Information System (INIS)

    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.

  2. Exploring Chemical and Thermal Non-equilibrium in Nitrogen Arcs

    International Nuclear Information System (INIS)

    Ghorui, S; Das, A K

    2012-01-01

    Plasma torches operating with nitrogen are of special importance as they can operate with usual tungsten based refractory electrodes and offer radical rich non-oxidizing high temperature environment for plasma chemistry. Strong gradients in temperature as well as species densities and huge convective fluxes lead to varying degrees of chemical non-equilibrium in associated regions. An axi-symmetric two-temperature chemical non-equilibrium model of a nitrogen plasma torch has been developed to understand the effects of thermal and chemical non-equilibrium in arcs. A 2-D finite volume CFD code in association with a non-equilibrium property routine enabled extraction of steady state self-consistent distributions of various plasma quantities inside the torch under various thermal and chemical non-equilibrium conditions. Chemical non-equilibrium has been incorporated through computation of diffusive and convective fluxes in each finite volume cell in every iteration and associating corresponding thermodynamic and transport properties through the scheme of 'chemical non-equilibrium parameter' introduced by Ghorui et. al. Recombination coefficient data from Nahar et. al. and radiation data from Krey and Morris have been used in the simulation. Results are presented for distributions of temperature, pressure, velocity, current density, electric potential, species densities and chemical non-equilibrium effects. Obtained results are compared with similar results under LTE.

  3. Unsaturated porous media flow with thermomechanical interaction

    Czech Academy of Sciences Publication Activity Database

    Albers, B.; Krejčí, Pavel

    2016-01-01

    Roč. 39, č. 9 (2016), s. 2220-2238 ISSN 0170-4214 R&D Projects: GA ČR(CZ) GA15-12227S Institutional support: RVO:67985840 Keywords : flows in porous media * problems involving hysteresis Subject RIV: BA - General Mathematics Impact factor: 1.017, year: 2016 http://onlinelibrary.wiley.com/doi/10.1002/mma.3635/abstract

  4. Two-phase, mass-transport model for direct methanol fuel cells with effect of non-equilibrium evaporation and condensation

    Science.gov (United States)

    Yang, W. W.; Zhao, T. S.

    A two-phase, mass-transport model for liquid-feed direct methanol fuel cells (DMFCs) is developed by taking into account the effect of non-equilibrium evaporation and condensation of methanol and water. The comparison between the present model and other models indicates that the present model yields more reasonable predictions of cell performance. Particularly, it is shown that the models that invoke a thermodynamic-equilibrium assumption between phases will overestimate mass-transport rates of methanol and water, thereby resulting in an inaccurate prediction of cell performance. The parametric study using the present model reveals that the gas coverage at the flow channel-diffusion-layer interface is directly related to the gas-void fraction inside the anode porous region; increasing the gas-void fraction will increase the mass-transfer resistance of methanol and thus lower cell performance. The effects of the geometric dimensions of the cell structure, such as channel width and rib width, on cell performance are also investigated with the model developed in this work.

  5. Natural convection in porous media with heat generation

    International Nuclear Information System (INIS)

    Hardee, H.C. Jr.; Nilson, R.H.

    1976-12-01

    Heat transfer characteristics of a fluid saturated porous media are investigated for the case of uniform internal heat generation with cooling from above. Analytical models of conduction and single phase cellular convection show good agreement with previous Rayleigh number correlations and with experimental data obtained by Joule heating of salt water in a sand bed. An approximate dryout criterion is also derived for two phase boiling heat transfer in a fixed bed which is neither channeled nor fluidized. Correlation of dryout data using this criterion is encouraging, especially considering the analytical rather than correlational basis of the criterion

  6. Bacteria transport through porous media. Annual report, December 31, 1984

    Energy Technology Data Exchange (ETDEWEB)

    Yen, T.F.

    1986-09-01

    The following five chapters in this report have been processed separately for inclusion in the Energy Data Base: (1) theoretical model of convective diffusion of motile and non-motile bacteria toward solid surfaces; (2) interfacial electrochemistry of oxide surfaces in oil-bearing sands and sandstones; (3) effects of sodium pyrophosphate additive on the ''huff and puff''/nutrient flooding MEOR process; (4) interaction of Escherichia coli B, B/4, and bacteriophage T4D with Berea sandstone rock in relation to enhanced oil recovery; and (5) transport of bacteria in porous media and its significance in microbial enhanced oil recovery.

  7. Time-fractional particle deposition in porous media

    Science.gov (United States)

    Xu, Jianping

    2017-05-01

    In the percolation process where fluids carry small solid particles, particle deposition causes a real-time permeability change of the medium as the swarm of particles propagates along the medium. Then the permeability change influences percolation and deposition behaviors as a feedback. This fact triggers memory effect in the deposition dynamics, which means the particulate transport and deposition behaviors become history-dependent. In this paper, we conduct the time-fractional generalization of the classical phenomenological model of particle deposition in porous media to incorporate the memory effect. We tested and compared the effects of employing different types of fractional operators, i.e. the Riemann-Liouville type, the Hadamard type and the Prabhakar type. Numerical simulation results show that the system behaviors vary according to the change of distinct memory kernels in an expected way. We then discuss the physical meaning of the time-fractional generalization. It is shown that different types of fractional operators unanimously ground themselves on the local-Newtonian time transformation in a complex system, which is equivalent to a class of history integrals. By the introduction of various memory kernels, it enables the model to more powerfully fit and approximate observed data. Further, the fundamental meaning of this work is not to show which fractional operator is ‘better’, but to argue collectively the legitimacy and practicality of a non-Markovian particle deposition dynamics in porous media, and in fact it is admissible to a bunch of memory kernels which differ greatly from each other in functional forms. Hopefully the presented generalized mass conservation formalism offers a broader framework to investigate transport problems in porous media.

  8. Lattice gas methods for predicting intrinsic permeability of porous media

    Energy Technology Data Exchange (ETDEWEB)

    Santos, L.O.E.; Philippi, P.C. [Santa Catarina Univ., Florianopolis, SC (Brazil). Dept. de Engenharia Mecanica. Lab. de Propriedades Termofisicas e Meios Porosos)]. E-mail: emerich@lmpt.ufsc.br; philippi@lmpt.ufsc.br; Damiani, M.C. [Engineering Simulation and Scientific Software (ESSS), Florianopolis, SC (Brazil). Parque Tecnologico]. E-mail: damiani@lmpt.ufsc.br

    2000-07-01

    This paper presents a method for predicting intrinsic permeability of porous media based on Lattice Gas Cellular Automata methods. Two methods are presented. The first is based on a Boolean model (LGA). The second is Boltzmann method (LB) based on Boltzmann relaxation equation. LGA is a relatively recent method developed to perform hydrodynamic calculations. The method, in its simplest form, consists of a regular lattice populated with particles that hop from site to site in discrete time steps in a process, called propagation. After propagation, the particles in each site interact with each other in a process called collision, in which the number of particles and momentum are conserved. An exclusion principle is imposed in order to achieve better computational efficiency. In despite of its simplicity, this model evolves in agreement with Navier-Stokes equation for low Mach numbers. LB methods were recently developed for the numerical integration of the Navier-Stokes equation based on discrete Boltzmann transport equation. Derived from LGA, LB is a powerful alternative to the standard methods in computational fluid dynamics. In recent years, it has received much attention and has been used in several applications like simulations of flows through porous media, turbulent flows and multiphase flows. It is important to emphasize some aspects that make Lattice Gas Cellular Automata methods very attractive for simulating flows through porous media. In fact, boundary conditions in flows through complex geometry structures are very easy to describe in simulations using these methods. In LGA methods simulations are performed with integers needing less resident memory capability and boolean arithmetic reduces running time. The two methods are used to simulate flows through several Brazilian reservoir petroleum rocks leading to intrinsic permeability prediction. Simulation is compared with experimental results. (author)

  9. Time-fractional particle deposition in porous media

    International Nuclear Information System (INIS)

    Xu, Jianping

    2017-01-01

    In the percolation process where fluids carry small solid particles, particle deposition causes a real-time permeability change of the medium as the swarm of particles propagates along the medium. Then the permeability change influences percolation and deposition behaviors as a feedback. This fact triggers memory effect in the deposition dynamics, which means the particulate transport and deposition behaviors become history-dependent. In this paper, we conduct the time-fractional generalization of the classical phenomenological model of particle deposition in porous media to incorporate the memory effect. We tested and compared the effects of employing different types of fractional operators, i.e. the Riemann–Liouville type, the Hadamard type and the Prabhakar type. Numerical simulation results show that the system behaviors vary according to the change of distinct memory kernels in an expected way. We then discuss the physical meaning of the time-fractional generalization. It is shown that different types of fractional operators unanimously ground themselves on the local-Newtonian time transformation in a complex system, which is equivalent to a class of history integrals. By the introduction of various memory kernels, it enables the model to more powerfully fit and approximate observed data. Further, the fundamental meaning of this work is not to show which fractional operator is ‘better’, but to argue collectively the legitimacy and practicality of a non-Markovian particle deposition dynamics in porous media, and in fact it is admissible to a bunch of memory kernels which differ greatly from each other in functional forms. Hopefully the presented generalized mass conservation formalism offers a broader framework to investigate transport problems in porous media. (paper)

  10. Non-equilibrium synergistic effects in atmospheric pressure plasmas.

    Science.gov (United States)

    Guo, Heng; Zhang, Xiao-Ning; Chen, Jian; Li, He-Ping; Ostrikov, Kostya Ken

    2018-03-19

    Non-equilibrium is one of the important features of an atmospheric gas discharge plasma. It involves complicated physical-chemical processes and plays a key role in various actual plasma processing. In this report, a novel complete non-equilibrium model is developed to reveal the non-equilibrium synergistic effects for the atmospheric-pressure low-temperature plasmas (AP-LTPs). It combines a thermal-chemical non-equilibrium fluid model for the quasi-neutral plasma region and a simplified sheath model for the electrode sheath region. The free-burning argon arc is selected as a model system because both the electrical-thermal-chemical equilibrium and non-equilibrium regions are involved simultaneously in this arc plasma system. The modeling results indicate for the first time that it is the strong and synergistic interactions among the mass, momentum and energy transfer processes that determine the self-consistent non-equilibrium characteristics of the AP-LTPs. An energy transfer process related to the non-uniform spatial distributions of the electron-to-heavy-particle temperature ratio has also been discovered for the first time. It has a significant influence for self-consistently predicting the transition region between the "hot" and "cold" equilibrium regions of an AP-LTP system. The modeling results would provide an instructive guidance for predicting and possibly controlling the non-equilibrium particle-energy transportation process in various AP-LTPs in future.

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

    Energy Technology Data Exchange (ETDEWEB)

    Cushman, J.H.; Madilyn Fletcher

    2000-06-01

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

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

    International Nuclear Information System (INIS)

    Cushman, J.H.

    2000-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Cushman, J.H.

    2000-06-01

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

  14. Evaluation of spectroscopic modeling for iron ions and study on non-equilibrium ionization phenomena for solar and LHD plasmas

    International Nuclear Information System (INIS)

    Watanabe, Tetsuya; Hara, Hirohisa; Yamamoto, Norimasa; Kato, Daiji; Sakaue, Hiroyuki A.; Murakami, Izumi

    2013-01-01

    Spectroscopic observations of EUV emission lines in the transition region (TR) and the corona provide unique information on physical conditions in the outer atmosphere of the Sun. The EUV Imaging Spectrometer (EIS) on board the Hinode satellite is capable of observing, for the first time in EUV, spectra and monochromatic images of plasmas in the solar TR and corona; these plasmas could possibly be in non-ionization-equilibrium conditions. EIS observes over two-wavelength bands of 170 - 210 Å and 250 - 290 Å, with typical time-resolutions of 1 - 10 seconds. Iron line emissions emerging from these wavelengths reveal that dynamic plasma accelerations and heating take place in the solar atmosphere. On the other hand, the tracer-encapsulated-pellet (TESPEL) experiments provide spectral information of EUV emission lines from iron ions produced in the Large Helical Device (LHD). Relatively cool plasmas with electron temperatures similar to those of the solar corona can be generated by controlling the neutral beam injector (NBI) system. A time-dependent collisional radiative (CR) model for elemental iron is developed as a common tool to diagnose temperatures and densities of those plasmas in the Sun and in LHD; no systematic model yet exists for iron ions in the L- and M-shell ionization stages, which are very important for coronal plasma diagnostics. Adopting the best available theoretical calculations, as well as generating the experimental data, we improve the atomic parameters of highly charged iron ions, and these results are used to extract more accurate diagnostic information out of the EIS spectra. (author)

  15. Measurement of Interfacial Area Production and Permeability within Porous Media

    International Nuclear Information System (INIS)

    Crandall, Dustin; Ahmadi, Goodarz; Smith, Duane H.

    2010-01-01

    An understanding of the pore-level interactions that affect multi-phase flow in porous media is important in many subsurface engineering applications, including enhanced oil recovery, remediation of dense non-aqueous liquid contaminated sites, and geologic CO 2 sequestration. Standard models of two-phase flow in porous media have been shown to have several shortcomings, which might partially be overcome using a recently developed model based on thermodynamic principles that includes interfacial area as an additional parameter. A few static experimental studies have been previously performed, which allowed the determination of static parameters of the model, but no information exists concerning the interfacial area dynamic parameters. A new experimental porous flow cell that was constructed using stereolithography for two-phase gas-liquid flow studies was used in conjunction with an in-house analysis code to provide information on dynamic evolution of both fluid phases and gas-liquid interfaces. In this paper, we give a brief introduction to the new generalized model of two-phase flow model and describe how the stereolithography flow cell experimental setup was used to obtain the dynamic parameters for the interfacial area numerical model. In particular, the methods used to determine the interfacial area permeability and production terms are shown.

  16. A Non-Equilibrium Sediment Transport Model for Dam Break Flow over Moveable Bed Based on Non-Uniform Rectangular Mesh

    Directory of Open Access Journals (Sweden)

    Gangfeng Wu

    2018-05-01

    Full Text Available The use of multiple-level non-uniform rectangular mesh in coupled flow and sediment transport modeling is preferred to achieve high accuracy in important region without increasing computational cost greatly. Here, a robust coupled hydrodynamic and non-equilibrium sediment transport model is developed on non-uniform rectangular mesh to simulate dam break flow over movable beds. The enhanced shallow water and sediment transport equations are adopted to consider the mass and momentum exchange between the flow phase and sediment phase. The flux at the interface is calculated by the positivity preserving central upwind scheme, which belongs to Godunov-type Riemann-problem-solver-free central schemes and is less expensive than other popular Riemann solvers while still capable of tracking wet/dry fronts accurately. The nonnegative water depth reconstruction method is used to achieve second-order accuracy in space. The model was first verified against two laboratory experiments of dam break flow over irregular fixed bed. Then the quantitative performance of the model was further investigated by comparing the computational results with measurement data of dam break flow over movable bed. The good agreements between the measurements and the numerical simulations are found for the flow depth, velocity and bed changes.

  17. Pengaruh Rasio Step pada Sudden Enlargement Channel terhadap Heat Flux Kondensasi di Porous Media

    Directory of Open Access Journals (Sweden)

    Djoko Hari Praswanto

    2017-08-01

    Full Text Available One of the most significant parameter in air conditioning problems is air humidity. A porous media can be used as a heat exchanger component in order to increase the heat transfer performance which is significantly depends on the heat flux values inside of them. To determine the heat flux value, a following test section was modeled in this research. A vapor passed through a channel whereas a particular porous media made of active carbon acted as its heat exchanger media. However, the sudden enlargement at the inlet of channel could affect the homogeneity of temperature distributions and also caused some several turbulencies. The research method is vapor flowed over the porous media for 60 minute with temperature of 300oC.The vapor velocity is varied from 1 m/s to 3 m/s and the step ratio also varied between 0 until 1.66. From the experiment shows the bigger step ratio and vapor velocity results the bigger heat flux and air humidity after passed through the low porous media. Heat transfer was occured in porous media including convection heat transfer with the value of Gr/Re2 smaller than 1.

  18. Experimental analysis of the flow near the boundary of random porous media

    Science.gov (United States)

    Wu, Zhenxing; Mirbod, Parisa

    2018-04-01

    The aim of this work is to experimentally examine flow over and near random porous media. Different porous materials were chosen to achieve porosity ranging from 0.95 to 0.99. In this study, we report the detailed velocity measurements of the flow over and near random porous material inside a rectangular duct using a planar particle image velocimetry (PIV) technique. By controlling the flow rate, two different Reynolds numbers were achieved. We determined the slip velocity at the interface between the porous media and free flow. Values of the slip velocity normalized either by the maximum flow velocity or by the shear rate at the interface and the screening distance K1/2 were found to depend on porosity. It was also shown that the depth of penetration inside the porous material was larger than the screening length using Brinkman's prediction. Moreover, we examined a model for the laminar coupled flow over and inside porous media and analyzed the permeability of a random porous medium. This study provided detailed analysis of flow over and at the interface of various specific random porous media using the PIV technique. This analysis has the potential to serve as a first step toward using random porous media as a new passive technique to control the flow over smooth surfaces.

  19. A Study on the Mechanical Properties of the Representative Volume Element in Fractal Porous Media

    Directory of Open Access Journals (Sweden)

    Jianjun Liu

    2017-01-01

    Full Text Available Natural porous structure is extremely complex, and it is of great significance to study the macroscopic mechanical response of the representative volume element (RVE with the microstructure of porous media. The real porous media RVE is generated by an improved quartet structure generation set (QSGS, and the connectivity of the reconstructed porous media models is analyzed. The fractal dimension of the RVE is calculated by the box-counting method, which considers the different porosity, different fractal dimension, and different mechanical properties of the matrix. Thus, the stress-strain curves of the RVE in the elastoplastic stage under different conditions are obtained. The results show that when the matrix mechanics are consistent, the mechanical properties of the porous media RVE are negatively correlated with the porosity and fractal dimension; when the difference between the porosity and fractal dimension increases, the trend is more obvious. The mechanical properties of the RVE have a positive correlation with the modulus of elasticity of the matrix, though the correlation with Poisson’s ratio of the matrix is weak. The fractal dimension of complex porous media can better predict the RVE mechanical characteristics than the porosity.

  20. Adaptive mixed finite element methods for Darcy flow in fractured porous media

    KAUST Repository

    Chen, Huangxin; Salama, Amgad; Sun, Shuyu

    2016-01-01

    In this paper, we propose adaptive mixed finite element methods for simulating the single-phase Darcy flow in two-dimensional fractured porous media. The reduced model that we use for the simulation is a discrete fracture model coupling Darcy flows in the matrix and the fractures, and the fractures are modeled by one-dimensional entities. The Raviart-Thomas mixed finite element methods are utilized for the solution of the coupled Darcy flows in the matrix and the fractures. In order to improve the efficiency of the simulation, we use adaptive mixed finite element methods based on novel residual-based a posteriori error estimators. In addition, we develop an efficient upscaling algorithm to compute the effective permeability of the fractured porous media. Several interesting examples of Darcy flow in the fractured porous media are presented to demonstrate the robustness of the algorithm.

  1. Foam-oil interaction in porous media: implications for foam assisted enhanced oil recovery.

    Science.gov (United States)

    Farajzadeh, R; Andrianov, A; Krastev, R; Hirasaki, G J; Rossen, W R

    2012-11-15

    The efficiency of a foam displacement process in enhanced oil recovery (EOR) depends largely on the stability of foam films in the presence of oil. Experimental studies have demonstrated the detrimental impact of oil on foam stability. This paper reviews the mechanisms and theories (disjoining pressure, coalescence and drainage, entering and spreading of oil, oil emulsification, pinch-off, etc.) suggested in the literature to explain the impact of oil on foam stability in the bulk and porous media. Moreover, we describe the existing approaches to foam modeling in porous media and the ways these models describe the oil effect on foam propagation in porous media. Further, we present various ideas on an improvement of foam stability and longevity in the presence of oil. The outstanding questions regarding foam-oil interactions and modeling of these interactions are pointed out. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. Adaptive mixed finite element methods for Darcy flow in fractured porous media

    KAUST Repository

    Chen, Huangxin

    2016-09-21

    In this paper, we propose adaptive mixed finite element methods for simulating the single-phase Darcy flow in two-dimensional fractured porous media. The reduced model that we use for the simulation is a discrete fracture model coupling Darcy flows in the matrix and the fractures, and the fractures are modeled by one-dimensional entities. The Raviart-Thomas mixed finite element methods are utilized for the solution of the coupled Darcy flows in the matrix and the fractures. In order to improve the efficiency of the simulation, we use adaptive mixed finite element methods based on novel residual-based a posteriori error estimators. In addition, we develop an efficient upscaling algorithm to compute the effective permeability of the fractured porous media. Several interesting examples of Darcy flow in the fractured porous media are presented to demonstrate the robustness of the algorithm.

  3. Gas transport in porous media

    CERN Document Server

    Ho, Clifford K

    2006-01-01

    This book presents a compilation of state-of-the art studies on gas and vapor transport processes in porous and fractured media. A broad set of models and processes are presented, including advection/diffusion, the Dusty Gas Model, enhanced vapor diffusion, phase change, coupled processes, solid/vapor sorption, and vapor-pressure lowering. Numerous applications are also presented that illustrate these processes and models in current problems facing the scientific community. This book fills a gap in the general area of transport in porous and fractured media; an area that has historically been dominated by studies of liquid-phase flow and transport. This book identifies gas and vapor transport processes that may be important or dominant in various applications, and it exploits recent advances in computational modeling and experimental methods to present studies that distinguish the relative importance of various mechanisms of transport in complex media.

  4. Mass Transfer and Porous Media (MTPM)

    Energy Technology Data Exchange (ETDEWEB)

    Rotenberg, B.; Marry, V.; Malikova, N.; Vuilleumier, R.; Giffaut, E.; Turq, P.; Robinet, J.C.; Diaz, N.; Sardini, P.; Goutelard, F.; Menut, D.; Parneix, J.C.; Sammartino, S.; Pret, D.; Coelho, D.; Jougnot, D.; Revil, A.; Boulin, P.F.; Angulo-Jaramillo, R.; Daian, J.F.; Talandier, J.; Berne, P.; Cochepin, B.; Trotignon, L.; Bildstein, O.; Steefel, C.; Lagneau, V.; Van der Lee, J.; Birchall, D.J.; Harrington, J.F.; Noy, D.J.; Sellin, P.; Bildstein, O.; Piault, E.; Trotignon, L.; Montarnal, P.; Deville, E.; Genty, A.; Le Potier, C.; Imbert, C.; Semete, P.; Desgree, P.; Fevrier, B.; Courtois, A.; Touze, G.; Sboui, A.; Roberts, J.E.; Jaffre, J.; Glaus, M.A.; Rosse, R.; Van Loon, L.R.; Matray, J.M.; Parneix, J.C.; Tinseau, E.; Pret, D.; Mayor, J.C.; Ohkubo, T.; Kikuchi, H.; Yamaguchi, M.; Alonso, U.; Missana, T.; Garcia-Gutierrez, M.; Patelli, A.; Siitari-Kauppi, M.; Leskinen, A.; Rigato, V.; Samper, J.; Dewonck, S.; Zheng, L.; Yang, Q.; Naves, A.; Dai, Z.; Samper, J.; Wolfsberg, A.; Levitt, D.; Cormenzana, J.L.; Missana, T.; Mingarro, M.; Schampera, B.; Dultz, S.; Riebe, B.; Samper, J.; Yang, Q.; Genty, A.; Perraud, D.; Poller, A.; Mayer, G.; Croise, J.; Marschall, P.; Krooss, B.; Matray, J.M.; Tanaka, T.; Vogel, P.; Lavanchy, J.M.; Enssle, C.P.; Cruchaudet, M.; Dewonck, S.; Descostes, M.; Blin, V.; Radwan, J.; Poinssot, C.; Mibus, J.; Sachs, S.; Devol-Brown, I.; Motellier, S.; Tinseau, E.; Thoby, D.; Marsal, F.; DeWindt, L.; Tinseau, E.; Pellegrini, D.; Bauer, A.; Fiehn, B.; Marquardt, Ch.; Romer, J.; Gortzen, A.; Kienzler, B

    2007-07-01

    This session gathers 48 articles (posters) dealing with: interlayer / micro-pore exchange of water and ions in clays: a molecular dynamics study; the multi-scale characterisation of mineral and textural spatial heterogeneities in Callovo-Oxfordian argilite and its consequence on solute species diffusion modelling; the diffusion of ions in unsaturated clay rocks: Theory and application to the Callovo- Oxfordian argillite; the porous media characterization with respect to gas transfer in Callovo Oxfordian argillite; the predictions on a 2-D cementation experiment in porous medium: intercomparison on the Comedie project; the large-scale gas injection test (LASGIT) at the Aespoe hard rock laboratory in Sweden; simulating the geochemical coupling between vitrified waste, canister and near-field on the alliances platform; toward radionuclide transport calculations on whole radioactive waste disposal with CAST3M platform; the experimental study of the water permeability of a partially saturated argillite; a mixed hexahedral finite elements for Darcy flow calculation in clay porous media; the diffusive properties of stainless steel filter discs before and after use in diffusion experiments with compacted clays; the structural organization of porosity in the Opalinus clay at the Mont Terri Rock Laboratory under saturated and unsaturated conditions; the evaluation of pore structure in compacted saturated Bentonite using NMR relaxometry; diffusion coefficients measurement in consolidated clays: a combination of micro-scale profiling and solid pore structure analyses; the numerical interpretation of in-situ DIR diffusion experiments on the Callovo- Oxfordian clay at the Meuse/Haute-Marne URL the identification of relative conductivity models for water flow and solute transport in unsaturated compacted Bentonite; diffusion experiments in Callovo- Oxfordian clay from the Meuse/Haute-Marne URL, France: experimental setup and data analyses; the transport in organo

  5. The effective thermal conductivity of porous media based on statistical self-similarity

    International Nuclear Information System (INIS)

    Kou Jianlong; Wu Fengmin; Lu Hangjun; Xu Yousheng; Song Fuquan

    2009-01-01

    A fractal model is presented based on the thermal-electrical analogy technique and statistical self-similarity of fractal saturated porous media. A dimensionless effective thermal conductivity of saturated fractal porous media is studied by the relationship between the dimensionless effective thermal conductivity and the geometrical parameters of porous media with no empirical constant. Through this study, it is shown that the dimensionless effective thermal conductivity decreases with the increase of porosity (φ) and pore area fractal dimension (D f ) when k s /k g >1. The opposite trends is observed when k s /k g t ). The model predictions are compared with existing experimental data and the results show that they are in good agreement with existing experimental data.

  6. Distributed plant simulator with two-phase flow analysis code using drift-flux non-equilibrium model for pressurized water reactors

    International Nuclear Information System (INIS)

    Yamamoto, Takaya; Kitamura, Masashi; Ohi, Tadashi; Akagi, Katsumi

    1999-01-01

    As advanced monitoring and controlling systems, such as the advanced main control console and the operator support system have been developed, real-time simulators' simulation accuracy must be improved and simulation limits must be extended. Therefore the authors have developed a distributed simulation system to achieve high processing performance using low cost hardware. Moreover, the authors have developed a thermal-hydraulic computer code, using drift-flux non-equilibrium model, which can realize a high precision two-phase flow analysis, which is considered to have the same prediction capability as two-fluid models, while achieving high speed and stability for real-time simulators. The distributed plant simulator for PWR plants was realized as a result. The distributed simulator consists of multi-processors connected to each other by an optical fiber network. Controlling software for synchronized scheduling and memory transfer was also developed. The simulation results of the four loop PWR simulator are compared with experimental data and real plant data; the agreement is satisfactory for a plant simulator. The simulation speed is also satisfactory being twice as fast as real-time. (author)

  7. Non-equilibrium phase transition

    International Nuclear Information System (INIS)

    Mottola, E.; Cooper, F.M.; Bishop, A.R.; Habib, S.; Kluger, Y.; Jensen, N.G.

    1998-01-01

    This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Non-equilibrium phase transitions play a central role in a very broad range of scientific areas, ranging from nuclear, particle, and astrophysics to condensed matter physics and the material and biological sciences. The aim of this project was to explore the path to a deeper and more fundamental understanding of the common physical principles underlying the complex real time dynamics of phase transitions. The main emphasis was on the development of general theoretical tools to deal with non-equilibrium processes, and of numerical methods robust enough to capture the time-evolving structures that occur in actual experimental situations. Specific applications to Laboratory multidivisional efforts in relativistic heavy-ion physics (transition to a new phase of nuclear matter consisting of a quark-gluon plasma) and layered high-temperature superconductors (critical currents and flux flow at the National High Magnetic Field Laboratory) were undertaken

  8. Open problems in non-equilibrium physics

    International Nuclear Information System (INIS)

    Kusnezov, D.

    1997-01-01

    The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions

  9. Open problems in non-equilibrium physics

    Energy Technology Data Exchange (ETDEWEB)

    Kusnezov, D.

    1997-09-22

    The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions.

  10. Equilibrium and transfer in porous media 2 transfer laws

    CERN Document Server

    Daïan, Jean-François

    2014-01-01

    A porous medium is composed of a solid matrix and its geometrical complement: the pore space. This pore space can be occupied by one or more fluids. The understanding of transport phenomena in porous media is a challenging intellectual task.  This book provides a detailed analysis of the aspects required for the understanding of many experimental techniques in the field of porous media transport phenomena. It is aimed at studentsor engineers who may not be looking specifically to become theoreticians in porous media, but wish to integrate knowledge of porous media with their previous scientif

  11. Boundary control of fluid flow through porous media

    DEFF Research Database (Denmark)

    Hasan, Agus; Foss, Bjarne; Sagatun, Svein Ivar

    2010-01-01

    The flow of fluids through porous media can be described by the Boussinesq’s equation with mixed boundary conditions; a Neumann’s boundary condition and a nonlinear boundary condition. The nonlinear boundary condition provides a means to control the fluid flow through porous media. In this paper,......, some stabilizing controllers are constructed for various cases using Lyapunov design.......The flow of fluids through porous media can be described by the Boussinesq’s equation with mixed boundary conditions; a Neumann’s boundary condition and a nonlinear boundary condition. The nonlinear boundary condition provides a means to control the fluid flow through porous media. In this paper...

  12. Influence of biofilms on transport properties in porous media

    Science.gov (United States)

    Davit, Y.

    2015-12-01

    Microbial activity and biofilm growth in porous media can drastically modify transport properties such as permeability, longitudinal and transverse dispersion or effective reaction rates. Understanding these effects has proven to be a considerable challenge. Advances in this field have been hindered by the difficulty of modeling and visualizing these multi-phase non-linear effects across a broad range of spatial and temporal scales. To address these issues, we are developing a strategy that combines imaging techniques based on x-ray micro-tomography with homogenization of pore-scale transport equations. Here, we review recent progress in x-ray imaging of biofilms in porous media, with a particular focus on the contrast agents that are used to differentiate between the fluid and biofilm phases. We further show how the 3D distribution of the different phases can be used to extract specific information about the biofilm and how effective properties can be calculated via the resolution of closure problems. These closure problems are obtained using the method of volume averaging and must be adapted to the problem of interest. In hydrological systems, we show that a generic formulation for reactive solute transport is based on a domain decomposition approach at the micro-scale yielding macro-scale models reminiscent of multi-rate mass transfer approaches.

  13. A predictive analytic model for high-performance tunneling field-effect transistors approaching non-equilibrium Green's function simulations

    International Nuclear Information System (INIS)

    Salazar, Ramon B.; Appenzeller, Joerg; Ilatikhameneh, Hesameddin; Rahman, Rajib; Klimeck, Gerhard

    2015-01-01

    A new compact modeling approach is presented which describes the full current-voltage (I-V) characteristic of high-performance (aggressively scaled-down) tunneling field-effect-transistors (TFETs) based on homojunction direct-bandgap semiconductors. The model is based on an analytic description of two key features, which capture the main physical phenomena related to TFETs: (1) the potential profile from source to channel and (2) the elliptic curvature of the complex bands in the bandgap region. It is proposed to use 1D Poisson's equations in the source and the channel to describe the potential profile in homojunction TFETs. This allows to quantify the impact of source/drain doping on device performance, an aspect usually ignored in TFET modeling but highly relevant in ultra-scaled devices. The compact model is validated by comparison with state-of-the-art quantum transport simulations using a 3D full band atomistic approach based on non-equilibrium Green's functions. It is shown that the model reproduces with good accuracy the data obtained from the simulations in all regions of operation: the on/off states and the n/p branches of conduction. This approach allows calculation of energy-dependent band-to-band tunneling currents in TFETs, a feature that allows gaining deep insights into the underlying device physics. The simplicity and accuracy of the approach provide a powerful tool to explore in a quantitatively manner how a wide variety of parameters (material-, size-, and/or geometry-dependent) impact the TFET performance under any bias conditions. The proposed model presents thus a practical complement to computationally expensive simulations such as the 3D NEGF approach

  14. Studies of Tracer Dispersion and Fluid Flow in Porous Media

    Energy Technology Data Exchange (ETDEWEB)

    Rage, T.

    1996-12-31

    This doctoral thesis explores the connection between the topology of a porous medium and its macroscopic transport properties and is based on computerized simulation. In porous media, both diffusion and convection contribute to the dispersion of a tracer and their combined effect is emphasized. The governing equations are solved numerically, using finite differences and Monte Carlo technique. The influence of finite Reynolds number on the outcome of echo-experiments is discussed. Comparing experiments and simulations it is found that nonlinear inertial forces lead to a visible deformation of a returned tracer at surprisingly small Reynolds numbers. In a study of tracer dispersion and fluid flow in periodic arrays of discs it is demonstrated that the mechanisms of mechanical dispersion in periodic media and in natural (non-periodic) porous media are essentially different. Measurements of the percolation probability distribution of a sandstone sample is presented. Local porosity theory predicts that this simple geometric function of a porous medium is of dominant importance for its macroscopic transport properties. It is demonstrated that many aspects of transport through fractures can be studied by using simple but realistic models and readily available computer resources. An example may be the transport of hydrocarbon fluids from the source rock to a reservoir. 165 refs., 44 figs., 1 table

  15. Dynamics of Nano-Chain Diffusing in Porous Media

    International Nuclear Information System (INIS)

    Chen Jiang-Xing; Zheng Qiang; Huang Chun-Yun; Xu Jiang-Rong; Ying He-Ping

    2015-01-01

    A coarse-grained model is proposed to study the dynamics of a nano-chain diffusing in porous media. The simulation utilizes a hybrid method which combines stochastic rotation dynamics with molecular dynamics. Solvent molecules are explicitly taken into account to represent the hydrodynamic interactions and random fluctuations. The conformation, relaxation, and diffusion properties of a polymer chain are investigated by changing the density degree of the obstacle matrix. It is found that the average size of the chain is a nonmonotonic function of the obstacle volume fraction ϕ. A dense environment may contribute to extending a linear chain, which can be characterized by larger exponents in the corresponding power law. The relaxation behavior of a stretched chain to a steady state shows dramatic crossover from exponent to power-law relaxation when the values of φ are increased. The dependence of the diffusion coefficient on the chain size is also studied. Various kinds of scaling properties are presented and discussed. The results can give additional insight into the density effect of porous media on polymer structure and dynamics. (paper)

  16. Studies on dispersive stabilization of porous media flows

    Energy Technology Data Exchange (ETDEWEB)

    Daripa, Prabir, E-mail: prabir.daripa@math.tamu.edu; Gin, Craig [Department of Mathematics, Texas A& M University, College Station, Texas 77843 (United States)

    2016-08-15

    Motivated by a need to improve the performance of chemical enhanced oil recovery (EOR) processes, we investigate dispersive effects on the linear stability of three-layer porous media flow models of EOR for two different types of interfaces: permeable and impermeable interfaces. Results presented are relevant for the design of smarter interfaces in the available parameter space of capillary number, Peclet number, longitudinal and transverse dispersion, and the viscous profile of the middle layer. The stabilization capacity of each of these two interfaces is explored numerically and conditions for complete dispersive stabilization are identified for each of these two types of interfaces. Key results obtained are (i) three-layer porous media flows with permeable interfaces can be almost completely stabilized by diffusion if the optimal viscous profile is chosen, (ii) flows with impermeable interfaces can also be almost completely stabilized for short time, but become more unstable at later times because diffusion flattens out the basic viscous profile, (iii) diffusion stabilizes short waves more than long waves which leads to a “turning point” Peclet number at which short and long waves have the same growth rate, and (iv) mechanical dispersion further stabilizes flows with permeable interfaces but in some cases has a destabilizing effect for flows with impermeable interfaces, which is a surprising result. These results are then used to give a comparison of the two types of interfaces. It is found that for most values of the flow parameters, permeable interfaces suppress flow instability more than impermeable interfaces.

  17. Diffusion, Coulombic interactions and multicomponent ionic transport of charged species in saturated porous media

    DEFF Research Database (Denmark)

    Rolle, Massimo; Muniruzzaman, Muhammad

    water are cross-coupled due to the effects of Coulombic interactions. Such effects are illustrated in flow-through experiments in saturated porous media. Simple strong electrolytes (i.e., salts and strong acid solutions) were selected as tracers and their transport was studied under different advection......-dominated conditions in homogeneous and heterogeneous porous media [2-3]. The model-based interpretation of the experimental results is challenging since it requires a multicomponent ionic formulation with an accurate description of local hydrodynamic dispersion and explicitly accounting for the cross-coupling...

  18. Pollutant transport in clayey sands: reactive flows in saturated porous media and unsaturated flows

    International Nuclear Information System (INIS)

    Cadalen, Sebastien

    2008-01-01

    In the context of nuclear risk control associated to nuclear waste storage, the french nuclear agency plays an increasing role in terms of research and development in the area of subsurface contamination. This study focuses on an homogeneous porous media constituted of Fontainebleau sand and clay grains (illite) presenting sorption capacities. The modeling of the complex geometry and physical phenomena at different scales enables us to describe the average transport at Darcy's scale. The two main axes developed are the impact of an heterogeneous sorption on transport phenomena and the dispersivity of an unsaturated porous media. (author) [fr

  19. Modeling and numerical analysis of non-equilibrium two-phase flows; Modelisation et analyse numerique des ecoulements diphasiques en desequilibre

    Energy Technology Data Exchange (ETDEWEB)

    Rascle, P.; El Amine, K. [Electricite de France (EDF), Direction des Etudes et Recherches, 92 - Clamart (France)

    1997-12-31

    We are interested in the numerical approximation of two-fluid models of nonequilibrium two-phase flows described by six balance equations. We introduce an original splitting technique of the system of equations. This technique is derived in a way such that single phase Riemann solvers may be used: moreover, it allows a straightforward extension to various and detailed exchange source terms. The properties of the fluids are first approached by state equations of ideal gas type and then extended to real fluids. For the construction of numerical schemes , the hyperbolicity of the full system is not necessary. When based on suitable kinetic unwind schemes, the algorithm can compute flow regimes evolving from mixture to single phase flows and vice versa. The whole scheme preserves the physical features of all the variables which remain in the set of physical states. Several stiff numerical tests, such as phase separation and phase transition are displayed in order to highlight the efficiency of the proposed method. The document is a PhD thesis divided in 6 chapters and two annexes. They are entitled: 1. - Introduction (in French), 2. - Two-phase flow, modelling and hyperbolicity (in French), 3. - A numerical method using upwind schemes for the resolution of two-phase flows without exchange terms (in English), 4. - A numerical scheme for one-phase flow of real fluids (in English), 5. - An upwind numerical for non-equilibrium two-phase flows (in English), 6. - The treatment of boundary conditions (in English), A.1. The Perthame scheme (in English) and A.2. The Roe scheme (in English). 136 refs. This document represents a PhD thesis in the speciality Applied Mathematics presented par Khalid El Amine to the Universite Paris 6.

  20. Stability of Miscible Displacements Across Stratified Porous Media

    Energy Technology Data Exchange (ETDEWEB)

    Shariati, Maryam; Yortsos, Yanis C.

    2000-09-11

    This report studied macro-scale heterogeneity effects. Reflecting on their importance, current simulation practices of flow and displacement in porous media were invariably based on heterogeneous permeability fields. Here, it was focused on a specific aspect of such problems, namely the stability of miscible displacements in stratified porous media, where the displacement is perpendicular to the direction of stratification.

  1. Non-equilibrium dynamics from RPMD and CMD.

    Science.gov (United States)

    Welsch, Ralph; Song, Kai; Shi, Qiang; Althorpe, Stuart C; Miller, Thomas F

    2016-11-28

    We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecular dynamics (RPMD) and centroid molecular dynamics (CMD). It is shown that for the cases of a sudden vertical excitation and an initial momentum impulse, both RPMD and CMD yield non-equilibrium TCFs for linear operators that are exact for high temperatures, in the t = 0 limit, and for harmonic potentials; the subset of these conditions that are preserved for non-equilibrium TCFs of non-linear operators is also discussed. Furthermore, it is shown that for these non-equilibrium initial conditions, both methods retain the connection to Matsubara dynamics that has previously been established for equilibrium initial conditions. Comparison of non-equilibrium TCFs from RPMD and CMD to Matsubara dynamics at short times reveals the orders in time to which the methods agree. Specifically, for the position-autocorrelation function associated with sudden vertical excitation, RPMD and CMD agree with Matsubara dynamics up to O(t 4 ) and O(t 1 ), respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O(t 5 ) and O(t 2 ), respectively. Numerical tests using model potentials for a wide range of non-equilibrium initial conditions show that RPMD and CMD yield non-equilibrium TCFs with an accuracy that is comparable to that for equilibrium TCFs. RPMD is also used to investigate excited-state proton transfer in a system-bath model, and it is compared to numerically exact calculations performed using a recently developed version of the Liouville space hierarchical equation of motion approach; again, similar accuracy is observed for non-equilibrium and equilibrium initial conditions.

  2. PORFLO - a continuum model for fluid flow, heat transfer, and mass transport in porous media. Model theory, numerical methods, and computational tests

    International Nuclear Information System (INIS)

    Runchal, A.K.; Sagar, B.; Baca, R.G.; Kline, N.W.

    1985-09-01

    Postclosure performance assessment of the proposed high-level nuclear waste repository in flood basalts at Hanford requires that the processes of fluid flow, heat transfer, and mass transport be numerically modeled at appropriate space and time scales. A suite of computer models has been developed to meet this objective. The theory of one of these models, named PORFLO, is described in this report. Also presented are a discussion of the numerical techniques in the PORFLO computer code and a few computational test cases. Three two-dimensional equations, one each for fluid flow, heat transfer, and mass transport, are numerically solved in PORFLO. The governing equations are derived from the principle of conservation of mass, momentum, and energy in a stationary control volume that is assumed to contain a heterogeneous, anisotropic porous medium. Broad discrete features can be accommodated by specifying zones with distinct properties, or these can be included by defining an equivalent porous medium. The governing equations are parabolic differential equations that are coupled through time-varying parameters. Computational tests of the model are done by comparisons of simulation results with analytic solutions, with results from other independently developed numerical models, and with available laboratory and/or field data. In this report, in addition to the theory of the model, results from three test cases are discussed. A users' manual for the computer code resulting from this model has been prepared and is available as a separate document. 37 refs., 20 figs., 15 tabs

  3. Fully-developed conjugate heat transfer in porous media with uniform heating

    NARCIS (Netherlands)

    Lopez Penha, D.J.; Stolz, S.; Kuerten, Johannes G.M.; Nordlund, M.; Kuczaj, Arkadiusz K.; Geurts, Bernardus J.

    2012-01-01

    We propose a computational method for approximating the heat transfer coefficient of fully-developed flow in porous media. For a representative elementary volume of the porous medium we develop a transport model subject to periodic boundary conditions that describes incompressible fluid flow through

  4. Adaptive moving grid methods for two-phase flow in porous media

    KAUST Repository

    Dong, Hao; Qiao, Zhonghua; Sun, Shuyu; Tang, Tao

    2014-01-01

    In this paper, we present an application of the moving mesh method for approximating numerical solutions of the two-phase flow model in porous media. The numerical schemes combine a mixed finite element method and a finite volume method, which can

  5. On the Coupling of Incompressible Stokes or Navier–Stokes and Darcy Flows Through Porous Media

    KAUST Repository

    Girault, V.

    2012-11-03

    In this chapter, we present the theoretical analysis of coupled incompressible Navier-Stokes (or Stokes) flows and Darcy flows with the Beavers-Joseph-Saffman interface condition. We discuss alternative interface and porous media models. We review some finite element methods used by several authors in this coupling and present numerical experiments.

  6. Predicting Upscaled Behavior of Aqueous Reactants in Heterogeneous Porous Media

    Science.gov (United States)

    Wright, E. E.; Hansen, S. K.; Bolster, D.; Richter, D. H.; Vesselinov, V. V.

    2017-12-01

    When modeling reactive transport, reaction rates are often overestimated due to the improper assumption of perfect mixing at the support scale of the transport model. In reality, fronts tend to form between participants in thermodynamically favorable reactions, leading to segregation of reactants into islands or fingers. When such a configuration arises, reactions are limited to the interface between the reactive solutes. Closure methods for estimating control-volume-effective reaction rates in terms of quantities defined at the control volume scale do not presently exist, but their development is crucial for effective field-scale modeling. We attack this problem through a combination of analytical and numerical means. Specifically, we numerically study reactive transport through an ensemble of realizations of two-dimensional heterogeneous porous media. We then employ regression analysis to calibrate an analytically-derived relationship between reaction rate and various dimensionless quantities representing conductivity-field heterogeneity and the respective strengths of diffusion, reaction and advection.

  7. Solute transport in aggregated and layered porous media

    International Nuclear Information System (INIS)

    Koch, S.

    1993-01-01

    This work is a contribution to research in soil physics dealing with solute transport in porous media. The influence of structural inhomogeneities on solute transport is investigated. Detailed experiments at the laboratory scale are used to enlighten distinct processes which cannot be studied separately at field scale. Two main aspects are followed up: (i) to show the influence of aggregation of a porous medium on breakthrough time and spreading of an inert tracer and consequences on the estimation of parameter values of models describing solute transport in aggregated systems, (ii) to investigate the influences on the dispersion process when stratification is perpendicular to the direction of flow. Several concepts of modelling solute transport in soil are discussed. Models based on the convection-dispersion equation (CDE) are emphasized because they are used here to model solute transport experiments conducted with aggregated porous media. Stochastic concepts are introduced to show the limitations of the deterministic CDE approaches. Experiments are done in columns containing two kinds of solid phases and were saturated with water. The solid phases are porous and solid glass beads exhibiting a distinctly unimodal or bimodal pore size distribution. Experimental breakthrough curves (BTCs) are modelled with the CDE, a bicontinuum model with a phenomenological mass transfer rate and a bicontinuum spherical diffusion model. Experiments are also done in columns that are unsaturated containing porous materials that are layered. Flow is made at a steady rate. It is shown that layer boundaries have a severe influence on lateral mixing. They may force streamlines to converge or cause a lateral redistribution of solutes. (author) figs., tabs., 122 refs

  8. Non-equilibrium fluctuation-induced interactions

    International Nuclear Information System (INIS)

    Dean, David S

    2012-01-01

    We discuss non-equilibrium aspects of fluctuation-induced interactions. While the equilibrium behavior of such interactions has been extensively studied and is relatively well understood, the study of these interactions out of equilibrium is relatively new. We discuss recent results on the non-equilibrium behavior of systems whose dynamics is of the dissipative stochastic type and identify a number of outstanding problems concerning non-equilibrium fluctuation-induced interactions.

  9. A porous media calculation for the isolation condenser heat transfer and circulation

    International Nuclear Information System (INIS)

    Jaakko, Miettinen; Ismo, Karppinen

    2003-01-01

    In the development of advanced light water reactors, thermohydraulic phenomena are versatile in comparison with the present concepts. The new features include, for example, passive safety systems, where energy transport takes place by natural circulation instead of forced flow. In the isolation condenser, the steam generated in the reactor vessel is conduced into the heat transfer tubes. The tube bundle has been submerged into a large water pool, where the heat flux through the tube wall initially is heating the subcooled water, but rather soon boiling take place. The temperature differences and void fraction in the pool create large two-phase circulation. For modeling of the entire condenser a combined application of two types of simulation models has been selected. For the whole geometry, a porous media solution has been developed, where the existence of the heat transfer tubes in the water pool and their heat generation is described by the porous media approach. The 3-dimensional solution of two-phase equations is based on the drift-flux formalism. The condensation and liquid film generation inside the heat transfer tube is modelled using a 1-dimensional model considering the steam core, liquid film and heat transfer tube. The heat flux through the tube wall defines the boundary conditions for the water pool. Parallel to the porous media development for the entire process facility, the phase change models have been improved for Fluent 6 mixture model, and the code is used for analysing in detail the heat transfer around the tubing. The purpose in the analyses is to obtain more detailed information of the flow field and vapour distribution around the tube bundle. By combining the porous media model for the entire facility, with the CFD models for the two-phase flow details around the heat transfer tubes and experimental studies the most important mechanisms around the condensation pool can be gathered. In this context the porous media model is considered. (author)

  10. Conjunction of radial basis function interpolator and artificial intelligence models for time-space modeling of contaminant transport in porous media

    Science.gov (United States)

    Nourani, Vahid; Mousavi, Shahram; Dabrowska, Dominika; Sadikoglu, Fahreddin

    2017-05-01

    As an innovation, both black box and physical-based models were incorporated into simulating groundwater flow and contaminant transport. Time series of groundwater level (GL) and chloride concentration (CC) observed at different piezometers of study plain were firstly de-noised by the wavelet-based de-noising approach. The effect of de-noised data on the performance of artificial neural network (ANN) and adaptive neuro-fuzzy inference system (ANFIS) was evaluated. Wavelet transform coherence was employed for spatial clustering of piezometers. Then for each cluster, ANN and ANFIS models were trained to predict GL and CC values. Finally, considering the predicted water heads of piezometers as interior conditions, the radial basis function as a meshless method which solves partial differential equations of GFCT, was used to estimate GL and CC values at any point within the plain where there is not any piezometer. Results indicated that efficiency of ANFIS based spatiotemporal model was more than ANN based model up to 13%.

  11. The Mechanism behind Erosive Bursts in Porous Media

    Science.gov (United States)

    Jaeger, Robin; Mendoza, Miller; Herrmann, Hans

    2017-11-01

    We implemented a new model based on the Lattice Boltzmann method to simulate erosion and deposition in suspension flows through porous media. Using this model we show that the cause of erosive bursts in filtration experiments is the re-opening of clogged pores when the pressure difference between two opposite sites of the pore surpasses a certain threshold. We perform numerical simulations and find excellent agreement to experimental results when comparing shape and size distribution of pressure loss jumps, which are the direct result of erosive bursts. Furthermore, we find that erosive bursts only occur for pressure gradient thresholds within the range of two critical values, independent on how the flow is driven. We believe that our findings provide a better understanding of sudden sand production in oil wells and breakthrough in filtration. European Research Council (ERC) Advanced Grant 319968-FlowCCS.

  12. Simulation of groundwater flows in unsaturated porous media

    International Nuclear Information System (INIS)

    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

  13. On the transport of emulsions in porous media

    Energy Technology Data Exchange (ETDEWEB)

    Cortis, Andrea; Ghezzehei, Teamrat A.

    2007-06-27

    Emulsions appear in many subsurface applications includingbioremediation, surfactant-enhanced remediation, and enhancedoil-recovery. Modeling emulsion transport in porous media is particularlychallenging because the rheological and physical properties of emulsionsare different from averages of the components. Current modelingapproaches are based on filtration theories, which are not suited toadequately address the pore-scale permeability fluctuations and reductionof absolute permeability that are often encountered during emulsiontransport. In this communication, we introduce a continuous time randomwalk based alternative approach that captures these unique features ofemulsion transport. Calculations based on the proposed approach resultedin excellent match with experimental observations of emulsionbreakthrough from the literature. Specifically, the new approach explainsthe slow late-time tailing behavior that could not be fitted using thestandard approach. The theory presented in this paper also provides animportant stepping stone toward a generalizedself-consistent modeling ofmultiphase flow.

  14. Geometric and topological characterization of porous media: insights from eigenvector centrality

    Science.gov (United States)

    Jimenez-Martinez, J.; Negre, C.

    2017-12-01

    Solving flow and transport through complex geometries such as porous media involves an extreme computational cost. Simplifications such as pore networks, where the pores are represented by nodes and the pore throats by edges connecting pores, have been proposed. These models have the ability to preserve the connectivity of the medium. However, they have difficulties capturing preferential paths (high velocity) and stagnation zones (low velocity), as they do not consider the specific relations between nodes. Network theory approaches, where the complex network is conceptualized like a graph, can help to simplify and better understand fluid dynamics and transport in porous media. To address this issue, we propose a method based on eigenvector centrality. It has been corrected to overcome the centralization problem and modified to introduce a bias in the centrality distribution along a particular direction which allows considering the flow and transport anisotropy in porous media. The model predictions are compared with millifluidic transport experiments, showing that this technique is computationally efficient and has potential for predicting preferential paths and stagnation zones for flow and transport in porous media. Entropy computed from the eigenvector centrality probability distribution is proposed as an indicator of the "mixing capacity" of the system.

  15. Study of the coupling of geochemical models based on thermodynamic equilibrium with models of component transfer as solutions in porous media or fractures

    International Nuclear Information System (INIS)

    Coudrain-Ribstein, A.

    1985-01-01

    This study is a contribution of analyses possibilities of modelling the transfer of components in the underground taking into account complexes geochemical phenomena. In the first part, the aim and the methodology of existing codes are presented. The transfer codes describe with a great precision the physical phenomena of transport but they are based on a very simple conceptualisation of the geochemical phenomena of retention by the rock. The geochemical models are interested by a stable unity of volume. They allow to compute the equilibrium distribution of the components between the chemical species of the solution, and the solid and gaseous phases. They use important thermodynamic data bases corresponding to each possible reaction. To sum up the situation about the geochemical codes in Europe and United States, a list of about thirty codes describe their method and potentialities. The mathematical analysis of the different methods used in both types of codes is presented. Then, the principles of a modelisation associating the potentialities of the transport codes and the geochemical codes are discussed. It is not possible to think of a simple coupling. A general code must be established on the bases of the existing codes but also on new concepts and under new constraints. In such studies one must always deal with the problem of the reactions kinetics. When the velocity of the reactions is big enough versus the velocity of transport processes, the assumption of local geochemical equilibrium can be retained. A general code would be very cumbersome, expensive and difficult to use. The results would be difficult to analyse and exploit. On the other hand, for each case study, a detailed analysis can point out many computing simplifications without simplifying the concepts [fr

  16. Fluid flows of mixed regimes in porous media

    Science.gov (United States)

    Celik, Emine; Hoang, Luan; Ibragimov, Akif; Kieu, Thinh

    2017-02-01

    In porous media, there are three known regimes of fluid flows, namely, pre-Darcy, Darcy, and post-Darcy. Because of their different natures, these are usually treated separately in the literature. To study complex flows when all three regimes may be present in different portions of a same domain, we use a single equation of motion to unify them. Several scenarios and models are then considered for slightly compressible fluids. A nonlinear parabolic equation for the pressure is derived, which is degenerate when the pressure gradient is either small or large. We estimate the pressure and its gradient for all time in terms of initial and boundary data. We also obtain their particular bounds for large time which depend on the asymptotic behavior of the boundary data but not on the initial one. Moreover, the continuous dependence of the solutions on initial and boundary data and the structural stability for the equation are established.

  17. Bounds on fluid permeability for viscous flow through porous media

    International Nuclear Information System (INIS)

    Berryman, J.G.

    1985-01-01

    General properties of variational bounds on Darcy's constant for slow viscous flow through porous media are studied. The bounds are also evaluated numerically for the penetrable sphere model. The bound of Doi depending on two-point correlations and the analytical bound of Weissberg and Prager give comparable results in the low density limit but the analytical bound is superior for higher densities. Prager's bound depending on three-point correlation functions is worse than the analytical bound at low densities but better (although comparable to it) at high densities. A procedure for methodically improving Prager's three point bound is presented. By introducing a Gaussian trial function, the three-point bound is improved by an order of magnitude for moderate values of porosity. The new bounds are comparable in magnitude to the Kozeny--Carman empirical relation for porous materials

  18. Dispersive effects on multicomponent transport through porous media

    Science.gov (United States)

    Dutta, Sourav; Daripa, Prabir

    2017-11-01

    We use a hybrid numerical method to solve a global pressure based porous media flow model of chemical enhanced oil recovery. This is an extension of our recent work. The numerical method is based on the use of a discontinuous finite element method and the modified method of characteristics. The impact of molecular diffusion and mechanical dispersion on the evolution of scalar concentration distributions are studied through numerical simulations of various flooding schemes. The relative importance of the advective, capillary diffusive and dispersive fluxes are compared over different flow regimes defined in the parameter space of Capillary number, Peclet number, longitudinal and transverse dispersion coefficients. Such studies are relevant for the design of effective injection policies and determining optimal combinations of chemical components for improving recovery. This work has been possible due to financial support from the U.S. National Science Foundation Grant DMS-1522782.

  19. Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD{sub 3}CN treated with a parallel multi-state EVB model

    Energy Technology Data Exchange (ETDEWEB)

    Glowacki, David R., E-mail: drglowacki@gmail.com [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Department of Computer Science, University of Bristol, Bristol BS8 1UB (United Kingdom); PULSE Institute and Department of Chemistry, Stanford University, Stanford, California 94305 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Orr-Ewing, Andrew J. [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Harvey, Jeremy N. [Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Heverlee (Belgium)

    2015-07-28

    We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD{sub 3}CN → DF + CD{sub 2}CN reaction in CD{sub 3}CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD{sub 3}CN solvent, equilibrium power spectra of DF in CD{sub 3}CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol{sup −1} localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD{sub 3}CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational

  20. Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model.

    Science.gov (United States)

    Glowacki, David R; Orr-Ewing, Andrew J; Harvey, Jeremy N

    2015-07-28

    We describe a parallelized linear-scaling computational framework developed to implement arbitrarily large multi-state empirical valence bond (MS-EVB) calculations within CHARMM and TINKER. Forces are obtained using the Hellmann-Feynman relationship, giving continuous gradients, and good energy conservation. Utilizing multi-dimensional Gaussian coupling elements fit to explicitly correlated coupled cluster theory, we built a 64-state MS-EVB model designed to study the F + CD3CN → DF + CD2CN reaction in CD3CN solvent (recently reported in Dunning et al. [Science 347(6221), 530 (2015)]). This approach allows us to build a reactive potential energy surface whose balanced accuracy and efficiency considerably surpass what we could achieve otherwise. We ran molecular dynamics simulations to examine a range of observables which follow in the wake of the reactive event: energy deposition in the nascent reaction products, vibrational relaxation rates of excited DF in CD3CN solvent, equilibrium power spectra of DF in CD3CN, and time dependent spectral shifts associated with relaxation of the nascent DF. Many of our results are in good agreement with time-resolved experimental observations, providing evidence for the accuracy of our MS-EVB framework in treating both the solute and solute/solvent interactions. The simulations provide additional insight into the dynamics at sub-picosecond time scales that are difficult to resolve experimentally. In particular, the simulations show that (immediately following deuterium abstraction) the nascent DF finds itself in a non-equilibrium regime in two different respects: (1) it is highly vibrationally excited, with ∼23 kcal mol(-1) localized in the stretch and (2) its post-reaction solvation environment, in which it is not yet hydrogen-bonded to CD3CN solvent molecules, is intermediate between the non-interacting gas-phase limit and the solution-phase equilibrium limit. Vibrational relaxation of the nascent DF results in a spectral

  1. Bioclogging in Porous Media: Preferential Flow Paths and Anomalous Transport

    Science.gov (United States)

    Holzner, M.; Carrel, M.; Morales, V.; Derlon, N.; Beltran, M. A.; Morgenroth, E.; Kaufmann, R.

    2016-12-01

    Biofilms are sessile communities of microorganisms held together by an extracellular polymeric substance that enables surface colonization. In porous media (e.g. soils, trickling filters etc.) biofilm growth has been shown to affect the hydrodynamics in a complex fashion at the pore-scale by clogging individual pores and enhancing preferential flow pathways and anomalous transport. These phenomena are a direct consequence of microbial growth and metabolism, mass transfer processes and complex flow velocity fields possibly exhibiting pronounced three-dimensional features. Despite considerable past work, however, it is not fully understood how bioclogging interacts with flow and mass transport processes in porous media. In this work we use imaging techniques to determine the flow velocities and the distribution of biofilm in a porous medium. Three-dimensional millimodels are packed with a transparent porous medium and a glucose solution to match the optical refractive index. The models are inoculated with planktonic wildtype bacteria and biofilm cultivated for 60 h under a constant flow and nutrient conditions. The pore flow velocities in the increasingly bioclogged medium are measured using 3D particle tracking velocimetry (3D-PTV). The three-dimensional spatial distribution of the biofilm within the pore space is assessed by imaging the model with X-Ray microtomography. We find that biofilm growth increases the complexity of the pore space, leading to the formation of preferential flow pathways and "dead" pore zones. The probability of persistent high and low velocity regions (within preferential paths resp. stagnant flow regions) thus increases upon biofilm growth, leading to an enhancement of anomalous transport. The structural data seems to indicate that the largest pores are not getting clogged and carry the preferential flow, whereas intricated structures develop in the smallest pores, where the flow becomes almost stagnant. These findings may be relevant for

  2. Fluid flow and heat transfer in rotating porous media

    CERN Document Server

    Vadasz, Peter

    2016-01-01

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

  3. Bacterial transport in heterogeneous porous media: Observations from laboratory experiments

    Science.gov (United States)

    Silliman, S. E.; Dunlap, R.; Fletcher, M.; Schneegurt, M. A.

    2001-11-01

    Transport of bacteria through heterogeneous porous media was investigated in small-scale columns packed with sand and in a tank designed to allow the hydraulic conductivity to vary as a two-dimensional, lognormally distributed, second-order stationary, exponentially correlated random field. The bacteria were Pseudomonas ftuorescens R8, a strain demonstrating appreciable attachment to surfaces, and strain Ml, a transposon mutant of strain R8 with reduced attachment ability. In bench top, sand-filled columns, transport was determined by measuring intensity of fluorescence of stained cells in the effluent or by measuring radiolabeled cells that were retained in the sand columns. Results demonstrated that strain Ml was transported more efficiently than strain R8 through columns packed with either a homogeneous silica sand or a more heterogeneous sand with iron oxide coatings. Two experiments conducted in the tank involved monitoring transport of bacteria to wells via sampling from wells and sample ports in the tank. Bacterial numbers were determined by direct plate count. At the end of the first experiment, the distribution of the bacteria in the sediment was determined by destructive sampling and plating. The two experiments produced bacterial breakthrough curves that were quite similar even though the similarity between the two porous media was limited to first- and second-order statistical moments. This result appears consistent with the concept of large-scale, average behavior such as has been observed for the transport of conservative chemical tracers. The transported bacteria arrived simultaneously with a conservative chemical tracer (although at significantly lower normalized concentration than the tracer). However, the bacterial breakthrough curves showed significant late time tailing. The concentrations of bacteria attached to the sediment surfaces showed considerably more spatial variation than did the concentrations of bacteria in the fluid phase. This

  4. Study on thermal-hydraulic phenomena in porous media. Semiannual report 1997. Nov. to 1998. Mar

    International Nuclear Information System (INIS)

    Matui, Goichi; Monji, Hideaki; Sakakibara, Jun; Tanaka, Masa-aki; Kobayashi, Jun; Kamide, Hideki

    1998-03-01

    The objective of this study is to clarify the thermal-hydraulic phenomena in porous media and to develop the analytical method to predict the thermal-hydraulic field, deciding the maximum temperature on the fuel pin surface. FY 1998 is the first year of the 3 years plan. In this year period, based on the correspondence of Reynolds number between experimental facility and FBR, the design and construction of the test rig and experimental parameter examination were performed. The test section has rectangle two sub-channel geometry and is twenty times large-scale model. In this study, we use the Particle Image Velocimetry (PIV) analysis method to visualize the flow field in the porous media. The Pyrex grass spheres were used to construct the porous blockage. The refraction-rate matching between obstacle and fluid is important to measure the velocity field with the optical analysis method. As the working fluid, NaI solution was used. When the concentration of NaI is 56.4wt% in the solution, the refraction-rate is correspond to that of the Pyrex grass. The simple test loop was constructed and the experiment was performed to measure the velocity field with Laser Doppler Anemometer and PIV. The purpose of this experiment using the simple test loop is to develop the experimental method of flow visualization in the porous media used NaI solution as working fluid. As the result of experiment with the simple test loop, the vector field in the porous media was obtained and it is shown that the flow pattern with PIV analysis is qualitatively correct. This visualization method using the NaI solution is applicable to measure the flow field in the porous media. (J.P.N.)

  5. Determination of free boundary problem of flow through porous media

    International Nuclear Information System (INIS)

    Tavares Junior, H.M.; Souza, A.J. de

    1989-01-01

    This paper deals with a free boundary problem of flow through porous media, which is solved by simplicial method conbined with mesh refinement. Variational method on fixed domain is utilized. (author)

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

    International Nuclear Information System (INIS)

    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)

  7. Nanoparticle tracers in calcium carbonate porous media

    KAUST Repository

    Li, Yan Vivian

    2014-07-15

    Tracers are perhaps the most direct way of diagnosing subsurface fluid flow pathways for ground water decontamination and for natural gas and oil production. Nanoparticle tracers could be particularly effective because they do not diffuse away from the fractures or channels where flow occurs and thus take much less time to travel between two points. In combination with a chemical tracer they can measure the degree of flow concentration. A prerequisite for tracer applications is that the particles are not retained in the porous media as the result of aggregation or sticking to mineral surfaces. By screening eight nanoparticles (3-100 nm in diameter) for retention when passed through calcium carbonate packed laboratory columns in artificial oil field brine solutions of variable ionic strength we show that the nanoparticles with the least retention are 3 nm in diameter, nearly uncharged, and decorated with highly hydrophilic polymeric ligands. The details of these column experiments and the tri-modal distribution of zeta potential of the calcite sand particles in the brine used in our tests suggests that parts of the calcite surface have positive zeta potential and the retention of negatively charged nanoparticles occurs at these sites. Only neutral nanoparticles are immune to at least some retention. © 2014 Springer Science+Business Media.

  8. Transient compressible flows in porous media

    International Nuclear Information System (INIS)

    Morrison, F.A. Jr.

    1975-09-01

    Transient compressible flow in porous media was investigated analytically. The major portion of the investigation was directed toward improving and understanding of dispersion in these flows and developing rapid accurate numerical techniques for predicting the extent of dispersion. The results are of interest in the containment of underground nuclear experiments. The transient one-dimensional transport of a trace component in a gas flow is analyzed. A conservation equation accounting for the effects of convective transport, dispersive transport, and decay, is developed. This relation, as well as a relation governing the fluid flow, is used to predict trace component concentration as a function of position and time. A detailed analysis of transport associated with the isothermal flow of an ideal gas is done. Because the governing equations are nonlinear, numerical calculations are performed. The ideal gas flow is calculated using a highly stable implicit iterative procedure with an Eulerian mesh. In order to avoid problems of anomolous dispersion associated with finite difference calculation, trace component convection and dispersion are calculated using a Lagrangian mesh. Details of the Eulerian-Lagrangian numerical technique are presented. Computer codes have been developed and implemented on the Lawrence Livermore Laboratory computer system

  9. Laboratory research program to aid in developing and testing the validity of conceptual models for flow and transport through unsaturated porous media

    International Nuclear Information System (INIS)

    Glass, R.J.

    1991-01-01

    As part of the Yucca Mountain Project, a laboratory research program is being developed at Sandia National Laboratories that will integrate fundamental physical experimentation with conceptual model formulation and mathematical modeling and aid in subsequent model validation for unsaturated zone water and contaminant transport. Experimental systems are being developed to explore flow and transport processes and assumptions of fundamental importance to various conceptual models. Experimentation will run concurrently in two types of systems: fractured and nonfractured tuffaceous systems; and analogue systems having specific characteristics of the tuff systems but designed to maximize experimental control and resolution of data measurement. Areas in which experimentation currently is directed include infiltration flow instability, water and solute movement in unsaturated fractures, fracture-matrix interaction, and scaling laws to define effective large-scale properties for heterogeneous, fractured media. 16 refs

  10. Experimental study and thermodynamic modelling of methane clathrate hydrate dissociation conditions in silica gel porous media in the presence of methanol aqueous solution

    International Nuclear Information System (INIS)

    Hashemi, Hamed; Javanmardi, Jafar; Zarifi, Mojdeh; Eslamimanesh, Ali; Mohammadi, Amir H.

    2012-01-01

    Highlights: ► Phase equilibria of hydrates of methane in confined silica gel pores are reported. ► Dissociation data in the presences of methanol aqueous solution are also measured. ► A thermodynamic model is developed for prediction of the obtained data. ► Acceptable agreement is found between the obtained data and the predicted results. - Abstract: In this work, the phase equilibria of clathrate hydrates of methane in the presence of pure water and 0.035 mass fraction of methanol aqueous solution in confined silica gel pores with (10 and 15) nm mean diameters are measured and reported. A thermodynamic model is also developed for prediction of the obtained experimental hydrate dissociation data. The Valderrama–Patel–Teja (VPT-EoS) equation of state (EoS) accompanied with the non-density dependent (NDD) mixing rules coupled with a previously developed activity model are applied to evaluate the fugacity of the species present and the activity coefficient of water in methanol aqueous solution. Acceptable agreement between the reported data and the predicted results using the proposed model and an existing method reported in the literature demonstrates the reliability of the presented model.

  11. Laboratory research program to aid in developing and testing the validity of conceptual models for flow and transport through unsaturated porous media

    International Nuclear Information System (INIS)

    Glass, R.J.

    1990-01-01

    As part of the Yucca Mountain Project, a laboratory research program is being developed at Sandia National Laboratories that will integrate fundamental physical experimentation with conceptual formulation and mathematical modeling and aid in subsequent model validation for unsaturated zone water and contaminant transport. Experimental systems are being developed to explore flow and transport processes and assumptions of fundamental importance to various conceptual models. Experimentation will run concurrently in two types of systems: fractured and nonfractured tuffaceous systems; and analogue systems having specific characteristics of the tuff systems but designed to maximize experimental control and resolution of data measurement. Questions to which experimentation currently is directed include infiltration flow instability, water and solute movement in unsaturated fractures, fracture-matrix interaction, and the definition of effective large-scale properties for heterogeneous, fractured media. 16 refs

  12. A mixture theory approach to model co- and counter-current two-phase flow in porous media accounting for viscous coupling

    Science.gov (United States)

    Qiao, Y.; Andersen, P. Ø.; Evje, S.; Standnes, D. C.

    2018-02-01

    It is well known that relative permeabilities can depend on the flow configuration and they are commonly lower during counter-current flow as compared to co-current flow. Conventional models must deal with this by manually changing the relative permeability curves depending on the observed flow regime. In this paper we use a novel two-phase momentum-equation-approach based on general mixture theory to generate effective relative permeabilities where this dependence (and others) is automatically captured. In particular, this formulation includes two viscous coupling effects: (i) Viscous drag between the flowing phases and the stagnant porous rock; (ii) viscous drag caused by momentum transfer between the flowing phases. The resulting generalized model will predict that during co-current flow the faster moving fluid accelerates the slow fluid, but is itself decelerated, while for counter-current flow they are both decelerated. The implications of these mechanisms are demonstrated by investigating recovery of oil from a matrix block surrounded by water due to a combination of gravity drainage and spontaneous imbibition, a situation highly relevant for naturally fractured reservoirs. We implement relative permeability data obtained experimentally through co-current flooding experiments and then explore the model behavior for different flow cases ranging from counter-current dominated to co-current dominated. In particular, it is demonstrated how the proposed model seems to offer some possible interesting improvements over conventional modeling by providing generalized mobility functions that automatically are able to capture more correctly different flow regimes for one and the same parameter set.

  13. Solid phase characterization and gas transfers through unsaturated porous media: experimental study and modeling applied diffusion of hydrogen through cement-based materials

    International Nuclear Information System (INIS)

    Vu, T.H.

    2009-10-01

    This thesis documents the relationship between the porous microstructure of cement based materials and theirs gaseous diffusivity properties relative to the aqueous phase location and the global saturation level of the material. The materials studied are cement pastes and mortars. To meet the thesis objective, the materials are characterized in detail by means of several experimental methods: mercury intrusion porosimetry, water porosimetry, thermo-poro-metry, nitrogen sorption and water desorption. In addition, diffusion tests realized on materials maintained in controlled humidity chambers allow obtaining the effective hydrogen diffusivity as function of the microstructure and the saturation state of material with a gas chromatography. The experimental results are then used as a data base that is compared to a modeling approach. The model developed consists of a combination of ordinary diffusion (Fick regime) and Knudsen diffusion of hydrogen. The model also accounts for the effects of the liquid curtains, the impact of tortuosity on gas diffusion, and the saturation level of the porous system. (author)

  14. Multiphasic fluid models and multicomponents reactive transport in porous media; Modelos de flujo multifasico no isotermo y de transporte reactivo multicomponente en medios porosos

    Energy Technology Data Exchange (ETDEWEB)

    Juncosa, R [Universidad Politecnica de Madrid (Spain)

    2001-07-01

    The design and construction of repositories for toxic waste, such as radioactive waste of medium and high activity, require tools, that will enable us to predict how the system will behave. The rational behind this Dissertation is based precisely on developing numerical models to study and predict coupled thermal, mechanical, hydrodynamic and geochemical behavior of clays intended to be