Modeling Kinetic Interphase Mass Transfer for Two-Phase Flow in Porous Media Including Fluid–Fluid Interfacial Area

Interphase mass transfer in porous media takes place across fluid–fluid interfaces. At the field scale, this is almost always a kinetic process and its rate is highly dependent on the amount of fluid–fluid interfacial area. Having no means to determine the interfacial area, modelers usually either neglect kinetics of mass transfer and assume local equilibrium between phases or they estimate interfacial area using lumped parameter approaches (in DNAPL pool dissolution) or a dual domain approach (for air sparging). However, none of these approaches include a physical determination of interfacial area or accounts for its role for interphase mass transfer. In this work, we propose a new formulation of two-phase flow with interphase mass transfer, which is based on thermodynamic principles. This approach comprises a mass balance for each component in each phase and a mass balance for specific interfacial area. The system is closed by a relationship among capillary pressure, interfacial area, and saturation. We compare our approach to an equilibrium model by showing simulation results for an air–water system. We show that the new approach is capable of modeling kinetic interphase mass exchange for a two-phase system and that mass transfer correlates with the specific interfacial area. By non-dimensionalization of the equations and variation of Peclet and Damköhler number, we make statements about when kinetic interphase mass transfer has to be taken into account by using the new physically based kinetic approach and when the equilibrium model is a reasonable simplification.     

Bubbles in liquids with phase transition—part 2: on balance laws for mixture theories of disperse vapor bubbles in liquid with phase change

We study averaging methods for the derivation of mixture equations for disperse vapor bubbles in liquids. The carrier liquid is modeled as a continuum, whereas simplified assumptions are made for the disperse bubble phase. An approach due to Petrov and Voinov is extended to derive mixture equations for the case that there is a phase transition between the carrier liquid and the vapor bubbles in water. We end up with a system of balance laws for a multi-phase mixture, which is completely in divergence form. Additional non-differential source terms describe the exchange of mass, momentum and energy between the phases. The sources depend explicitly on evolution laws for the total mass, the radius and the temperature of single bubbles. These evolution laws are derived in a prior article (Dreyer et al. in Cont Mech Thermodyn. doi:10.1007/s00161-0225-6, 2011) and are used to close the system. Finally, numerical examples are presented.     

Advective fluxes in multiphase porous media under nonisothermal conditions

We consider the case in which more than one fluid phase occupies the void space of a porous medium. The advective flux law is formulated for a fluid phase, under nonisothermal conditions and with the presence of solutes in the fluid phases. The derivation of the flux laws is based on an approximated version of the averaged balance equation for linear momentum. Taking into account momentum transfer through the interface between the fluid phases, leads to coupling between the flow in adjacent phases. Fluxes are also shown to depend on the surface tension at the interface between the adjacent fluid phases. Since the latter depends on temperature and solute concentration in the two phases, the advective flux is shown to depend on both temperature and solute concentration gradients in the two phases. A preliminary order of magnitude analysis gives conditions under which the coupling phenomena are not negligible. The approach is applied to the unsaturated zone, as a typical example of a multiphase porous medium.The main conclusion is that the well known Darcy law for single phase flow, may have to be modified for a multi fluid phase system, especially when temperature and solute concentration are not uniform.     

A compressible single‐temperature conservative two‐phase model with phase transitions

A model for multidimensional compressible two‐phase flow with pressure and velocity relaxations based on the theory of thermodynamically compatible system is extended to study liquid–gas flows with cavitation. The model assumes for each phase its own pressure and velocity, while a common temperature is considered. The governing equations form a hyperbolic system in conservative form and are derived through the theory of a thermodynamically compatible system. The phase pressure‐equalizing process and the interfacial friction are taken into account in the balance laws for the volume fractions of one phase and for the relative velocity by adding two relaxation source terms, while the phase transition is introduced into the model considering in the balance equation for the mass of one phase the relaxation of the Gibbs free energies of the two phases. A modification of the central finite‐volume Kurganov–Noelle–Petrova method is adopted in this work to solve the homogeneous hyperbolic part, while the relaxation source terms are treated implicitly. In order to investigate the effect of the mass transfer in the solution, a 1D cavitation tube problem is presented. In addition, two 2D numerical simulations regarding cavitation problem are also studied: a cavitating Richtmyer–Meshkov instability and a laser‐induced cavitation problem. Copyright © 2014 John Wiley & Sons, Ltd.     

A Continuum Theory of Multispecies Thin Solid Film Growth by Chemical Vapor Deposition

A continuum theory for the chemical vapor deposition of thin solid films is proposed, in which a flowing, chemically reacting, gaseous mixture is coupled to the bulk of a growing thin film via the equations that govern the morphological evolution of the interface separating them. The vapor-film interface is viewed as a surface of zero thickness capable of sustaining mass and endowed with thermodynamic variables that account for its distinct structure. We consider situations in which species diffusion and heat conduction occur in all three phases (vapor, bulk and surface), with the former mechanism augmented by the convective transport of particles in the gas. Special attention is given to the chemical reactions that occur both in the vapor and on the film surface. Ours is a conceptual framework based on conservation laws for chemical species, momentum and energy, together with a separate balance of configurational forces. These balances are supplemented by an appropriate version of the second law which is used to develop suitable constitutive relations for each of the phases. In particular, we investigate the case of an elastic film, deposited on a rigid substrate and in contact with a reacting, multispecies, ideal vapor, whose surface behaves like an anisotropic, chemically reactive, multicomponent, ideal lattice gas. In addition to recovering the standard equations that describe the behavior of the gas and film phases, we derive the coupled PDE's that govern the interfacial morphological, chemical, and thermal evolution. In particular, the constitutively augmented interfacial configurational force balance provides a “kinetic relation” linking the thermodynamic “driving force” at the film surface to the growth rate. The special cases of (i) negligible interfacial species densities, and (ii) local (mechanical) equilibrium of both multi- and single-species films are investigated.     

Generalizing the Boussinesq approximation to stratified compressible flow

The simplifications required to apply the Boussinesq approximation to compressible flow are compared with those in an incompressible fluid. The larger degree of approximation required to describe mass conservation in a stratified compressible fluid using the Boussinesq continuity equation has led to the development of several different sets of ‘anelastic’ equations that may be regarded as generalizations of the original Boussinesq approximation. These anelastic systems filter sound waves while allowing a more accurate representation of non-acoustic perturbations in compressible flows than can be obtained using the Boussinesq system. The energy conservation properties of several anelastic systems are compared under the assumption that the perturbations of the thermodynamic variables about a hydrostatically balanced reference state are small. The ‘pseudo-incompressible’ system is shown to conserve total kinetic and anelastic dry static energy without requiring modification to any governing equation except the mass continuity equation. In contrast, other energy conservative anelastic systems also require additional approximations in other governing equations. The pseudo-incompressible system includes the effects of temperature changes on the density in the mass conservation equation, whereas this effect is neglected in other anelastic systems. A generalization of the pseudo-incompressible equation is presented and compared with the diagnostic continuity equation for quasi-hydrostatic flow in a transformed coordinate system in which the vertical coordinate is solely a function of pressure. To cite this article: D.R. Durran, A. Arakawa, C. R. Mecanique 335 (2007).     

Bubbles in liquids with phase transition

In the forthcoming second part of this paper a system of balance laws for a multi-phase mixture with many dispersed bubbles in liquid is derived where phase transition is taken into account. The exchange terms for mass, momentum and energy explicitly depend on evolution laws for total mass, radius and temperature of single bubbles. Therefore in the current paper we consider a single bubble of vapor and inert gas surrounded by the corresponding liquid phase. The creation of bubbles, e.g. by nucleation is not taken into account. We study the behavior of this bubble due to condensation and evaporation at the interface. The aim is to find evolution laws for total mass, radius and temperature of the bubble, which should be as simple as possible but consider all relevant physical effects. Special attention is given to the effects of surface tension and heat production on the bubble dynamics as well as the propagation of acoustic elastic waves by including slight compressibility of the liquid phase. Separately we study the influence of the three phenomena heat conduction, elastic waves and phase transition on the evolution of the bubble. We find ordinary differential equations that describe the bubble dynamics. It turns out that the elastic waves in the liquid are of greatest importance to the dynamics of the bubble radius. The phase transition has a strong influence on the evolution of the temperature, in particular at the interface. Furthermore the phase transition leads to a drastic change of the water content in the bubble. It is shown that a rebounding bubble is only possible, if it contains in addition an inert gas. In Part 2 of the current paper the equations derived are sought in order to close the system of equations for multi-phase mixture balance laws for dispersed bubbles in liquids involving phase change.     

Ein Modell zur Beschreibung der Stoffübertragung zwischen fluiden Phasen auf der Grundlage molekularer Vorgänge

The known phenomena of the mass transfer are the result of the molecular motions. A system of equations is represented, what describes mass- and heat transfer on this base and under consideration of the influence of molecular interactions. The change of concentration and temperature in the phase of the balance room is the result of moleculare streams over all limits of this room. It is considered a molecular mass transfer resistance on the interfacial area. In this way the mass transfer and the equilibrium of the phases is represented as an unitary process. Possibilities and limits of this model were discussed.     

On the uniqueness of symmetric algebraic consequences implied by a system of conservation laws consistent with the additional conservation equation

In mathematical physics, one often encounters systems of conservation laws which are consistent with an additional conservation equation. Such systems are of particular interest from the point of view of phenomenological thermodynamics where the additional conservation equation is often interpreted as the entropy law. The systems of conservation laws which imply the additional conservation law are strongly related to symmetric systems. These relations are exploited in thermodynamical theories where the system of field equations consistent with the balance of entropy is often assumed to be symmetric.In this paper we use an invariant definition of symmetric system in order to show that the system of balance laws implies the additional balance law if and only if it implies a symmetric system of a certain kind (see Section 2) and that such a symmetric system is uniquely defined.This property is interesting in the context of a more general question; what conditions for a given system of conservation laws are necessary and/or sufficient to ensure the existence of the additional conservation law.     

Weak formulation for a two-phase nonlinear flow in an undeformable porous medium

In this paper we present a mathematical model for the two-phase flow of a mono-component fluid in an undeformable porous medium. The main practical application is the problem of gas extraction in a geothermal reservoir for which the model can be used for predicting the extinction time of a specific phase in the reservoir. The system is modeled assuming that temperature is not evolving and that the driving mechanism in the case of co-existence of the two phases is capillarity. We also assume that the fluid can be found in liquid and gaseous phase and that there can be regions where this two phases co-exist. The various phases are separated by evolving boundaries (the mathematical formulation turns out to be a free boundary problem) which are determined imposing mass balance relations. We give an integral formulation for the so-called overall density, which is the sum of the densities of each phase weighted by saturation. Finally we present some numerical simulations to investigate the dependence of the solution on the physical parameters and on the boundary conditions involved in the system.     

Effects of Anisotropy and Drying Air Parameters on Drying of Deformable Porous Media Hydro-Dynamically and Thermally Anisotropic

The purpose of this work was to investigate numerically the drying of saturated deformable porous media. The considered sample is a rectangular porous plate which assumed to be both hydro-dynamically and thermally anisotropic, while the mechanical behavior of the sample is supposed to be isotropic. All walls of the plate are subjected to a convective heat flux. Moreover, the top and bottom walls are allowed the mass transfer. The Darcy–Brinkman extended model was used as the momentum balance equation for the liquid and solid phases. The energy balance equation is based on the local thermodynamic equilibrium assumption between the both phases. The lattice Boltzmann method is used to solve the governing differential equation system. A comprehensive analysis of the effect of anisotropy and the drying air parameters on macroscopic fields is investigated throughout this work.     

Phase change interactions and singular fronts

The balances of mass, linear momentum and energy for a continuum provide jump relations between values of the physical variables on the two sides of a singular surface, either a boundary of the medium or an interior surface. In the case of a mixture, an overlap of interacting continua, there are jump relations for each constituent. While an elementary phase change front across which one phase of a constituent is transformed completely to a different phase can be treated as a single constituent, more general situations have co-existing phases on one side of the front, each with their own density, velocity, stress and internal energy fields, which must be treated as separate constituents. The phase change is now a mass transfer between constituents which becomes a surface production term in the mass balance jump relation for each constituent. In turn this implies surface production contributions to the momentum and energy relations associated with the surface mass transfer, including interaction body force and energy transfer contributions as well as the direct transfer terms. The general jump relations with such surface production contributions are formulated, and are illustrated for a number of situations arising in polythermal ice sheets and wet snow packs.     

A direct approach to fiber and membrane reinforced bodies. Part I. Stress concentrated on curves for modelling fiber reinforced materials

An approach is outlined to the equilibrium in fiber-reinforced materials in which the fibers are modeled as curves or lines with concentrated material properties. The system of forces representing the interaction of the fibers with the bulk matter is analyzed, and equilibrium of forces is derived from global laws. The displacements of the bulk matter are assumed to have continuous extension to the fibers. This forces the set of admissible deformations superquadratically integrable. This in turn forces the energy of the bulk of superquadratic growth. The material of the bulk matrix therefore cannot be linearly elastic. The energy of fibers can have a slower growth and can be quadratic. A formal set of assumptions is given under which an equilibrium state of minimum energy exists in the given external conditions. A weak form of equilibrium equations is derived for this equilibrium state. An explicitly calculable axisymmetric example is presented with an isotropic and quadratic energy of the matrix (linear elasticity) and linearly stretchable fiber. Since the superquadratic growth assumption is not satisfied, some peculiar features of the solution arise, such as the infinite limit of the radial displacement near the fiber. Nevertheless, from the obtained solution, we can compute the normal force in the fiber and the shear stress at the interface.     

RENEWAL OF BASIC LAWS AND PRINCIPLES FOR POLAR CONTINUUM THEORIES (Ⅵ)—CONSERVATION LAWS OF MASS AND INERTIA

IntroductionThisworkisadirectcontinuationandasupplementofRefs .[1～8] .InRefs.[1～8]thecoupledbalancelawsandequationsofmomentum ,angularmomentumandenergyaswellasthenewHamiltonprinciple,principleofvirtualpowerandNoethertheoremhavebeenpresented .However,thecoupledconservationlawsofmassandinertiahavenotbeenreestablishedyet.Thepurposeofthispaperistoreestablishtheconservationlawsandequationsofmassandinertiaandtocombinethemwiththecoupledbalancelawsandequationsofmomentum ,angularmomentum ,energyand…     

A Eulerian/Lagrangian model to calculate the evolution of a water droplet spray

We introduce a Eulerian/Lagrangian model to compute the evolution of a spray of water droplets inside a complex geometry. To take into account the complex geometry we define a rectangular mesh and we relate each mesh node to a node function which depends on the location of the node. The time-dependent incompressible and turbulent Navier-Stokes equations are solved using a projection method. The droplets are regarded as individual entities and we use a Lagrangian approach to compute the evolution of the spray. We establish the exchange laws related to mass and heat transfer for a droplet by introducing a mass transfer coefficient and a heat transfer coefficient. The numerical results from our model are compared with those from the literature in the case of a falling droplet in the atmosphere and from experimental investigation in a wind tunnel in the case of a polydisperse spray. The comparison is fairly good. We present the computation of a water droplet spray inside a complex and realistic geometry and determine the characteristics of the spray in the vicinity of obstacles.     

Engineering models for synthetic microvascular materials with interphase mass,momentum and energy transfer

New materials are being developed that consist of a solid matrix with pores or vessels through which a functional fluid phase may pass. The fluid can provide expanded functionality such as healing and remodeling, damage disclosure, enhanced heat transfer, and controlled deformation, stiffness and damping. This paper presents a class of engineering models for synthetic microvascular materials that have fluid passages much smaller than a characteristic structural length such as panel thickness. The materials are idealized as two-phase continua with a solid phase and a fluid phase occupying every volume. The model permits the solid and fluid phases to exchange mass, momentum and energy. Balance equations and the entropy inequality for general mixtures are taken from existing continuum mixture theory. These are augmented with certain definite types of solid–fluid interactions in order to enable adequately general, but workable, engineering analysis. The thermomechanical characteristics of this restricted class of materials are delineated. By demanding that the law of increase of entropy be satisfied for all processes, much is deduced about the acceptable forms of constitutive equations and internal state variable evolution equations. The paper concludes with a study of the uniaxial tension behavior of an idealized vascular material.     

Four-Component Gas/Oil Displacements in One Dimension: Part I: Global Triangular Structure

This paper presents an analysis of the mathematical structure of three-component and four-component gas displacements. The structure of one-dimensional flows in which components partition between two phases is governed by the geometry of a set of equilibrium tie lines. We demonstrate that for systems of four components, the governing mass conservation laws for the displacement can be represented by an eigenvalue system whose coefficient matrix has a global triangular structure, which is defined in the paper, for only specific types of phase behavior. We show that four-component systems exhibit global triangular structure if and only if (1) tie lines meet at one edge of the quaternary phase diagram or (2) if tie lines lie in planes. For such systems, shock and rarefaction surfaces coincide and are planes. We prove that systems are of category (2) if equilibrium ratios (K-values) are independent of mixture composition. In particular, for such systems shock and rarefaction curves will coincide. We also show that for systems with variable K-values, the rarefaction surfaces are almost planar in a precise sense, which is described in the paper. Therefore, systems with variable K-values may be well approximated by assuming shock and rarefaction surfaces do coincide. For these special systems the construction of solutions for one-dimensional, two-phase flow with phase behavior simplifies considerably. In Part II, we describe an application of these ideas to systems in which K-values are constant.     

Asymptotic laws of damping of weak continuous and shock waves in dust-laden gas

Analytic investigations into the damping of perturbations in dust-laden gas have been restricted to self-similar flows [1, 2] and flows with a symmetry plane, it being assumed in the latter case that thermal and velocity equilibrium of the phases is established instantaneously [3–6], i.e., the relaxation time of the medium is short. In the present paper, asymptotic laws of damping are obtained for plane, cylindrical, and spherical shock and continuous waves whose amplitude and width are such that the acceleration of the particles and the change in their temperature can be ignored. It is assumed that between the phases there is heat transfer proportional to the temperature difference and frictional momentum transfer proportional to the difference between the velocities of the phases. The obtained laws of damping of plane waves are found to be entirely analogous to the laws of damping of magnetohydrodynamic waves in a medium with finite conductivity, when the presence of Joule dissipation and the additional ponderomotive force in the traveling wave or in the gas flow behind the shock wave leads to exponential damping of the wave amplitude [7–9].