Thermodynamics and constitutive theory for multiphase porous-media flow considering internal geometric constraints

This paper provides the thermodynamic approach and constitutive theory for closure of the conservation equations for multiphase flow in porous media. The starting point for the analysis is the balance equations of mass, momentum, and energy for two fluid phases, a solid phase, the interfaces between the phases and the common lines where interfaces meet. These equations have been derived at the macroscale, a scale on the order of tens of pore diameters. Additionally, the entropy inequality for the multiphase system at this scale is utilized. The internal energy at the macroscale is postulated to depend thermodynamically on the extensive properties of the system. This energy is then decomposed to provide energy forms for each of the system components. To obtain constitutive information from the entropy inequality, information about the mechanical behavior of the internal geometric structure of the phase distributions must be known. This information is obtained from averaging theorems, thermodynamic analysis, and from linearization of the entropy inequality at near equilibrium conditions. The final forms of the equations developed show that capillary pressure is a function of interphase area per unit volume as well as saturation. The standard equations used to model multiphase flow are found to be very restricted forms of the general equations, and the assumptions that are needed for these equations to hold are identified.     

Immiscible two-phase fluid flows in deformable porous media

Macroscopic differential equations of mass and momentum balance for two immiscible fluids in a deformable porous medium are derived in an Eulerian framework using the continuum theory of mixtures. After inclusion of constitutive relationships, the resulting momentum balance equations feature terms characterizing the coupling among the fluid phases and the solid matrix caused by their relative accelerations. These terms, which imply a number of interesting phenomena, do not appear in current hydrologic models of subsurface multiphase flow. Our equations of momentum balance are shown to reduce to the Berryman–Thigpen–Chen model of bulk elastic wave propagation through unsaturated porous media after simplification (e.g., isothermal conditions, neglect of gravity, etc.) and under the assumption of constant volume fractions and material densities. When specialized to the case of a porous medium containing a single fluid and an elastic solid, our momentum balance equations reduce to the well-known Biot model of poroelasticity. We also show that mass balance alone is sufficient to derive the Biot model stress–strain relations, provided that a closure condition for porosity change suggested by de la Cruz and Spanos is invoked. Finally, a relation between elastic parameters and inertial coupling coefficients is derived that permits the partial differential equations of the Biot model to be decoupled into a telegraph equation and a wave equation whose respective dependent variables are two different linear combinations of the dilatations of the solid and the fluid.     

General conservation equations for multi-phase systems: 3. Constitutive theory for porous media flow

Equations which describe single phase fluid flow and transport through an elastic porous media are obtained by applying constitutive theory to a set of general multiphase mass, momentum, energy, and entropy equations. Linearization of these equations yields a set of equations solvable upon specification of the material coefficients which arise. Further restriction of the flow to small velocities proves that Darcy's law is a special case of the general momentum balance.     

Thermodynamically Constrained Averaging Theory Approach for Modeling Flow and Transport Phenomena in Porous Medium Systems: 8. Interface and Common Curve Dynamics

This work is the eighth in a series that develops the fundamental aspects of the thermodynamically constrained averaging theory (TCAT) that allows for a systematic increase in the scale at which multiphase transport phenomena is modeled in porous medium systems. In these systems, the explicit locations of interfaces between phases and common curves, where three or more interfaces meet, are not considered at scales above the microscale. Rather, the densities of these quantities arise as areas per volume or length per volume. Modeling of the dynamics of these measures is an important challenge for robust models of flow and transport phenomena in porous medium systems, as the extent of these regions can have important implications for mass, momentum, and energy transport between and among phases, and formulation of a capillary pressure relation with minimal hysteresis. These densities do not exist at the microscale, where the interfaces and common curves correspond to particular locations. Therefore, it is necessary for a well-developed macroscale theory to provide evolution equations that describe the dynamics of interface and common curve densities. Here we point out the challenges and pitfalls in producing such evolution equations, develop a set of such equations based on averaging theorems, and identify the terms that require particular attention in experimental and computational efforts to parameterize the equations. We use the evolution equations developed to specify a closed two-fluid-phase flow model.     

Thermodynamically constrained averaging theory approach for modeling flow and transport phenomena in porous medium systems: 4. Species transport fundamentals

This work is the fourth in a series of papers on the thermodynamically constrained averaging theory (TCAT) approach for modeling flow and transport phenomena in multiscale porous medium systems. The general TCAT framework and the mathematical foundation presented in previous works are built upon by formulating macroscale models for conservation of mass, momentum, and energy, and the balance of entropy for a species in a phase volume, interface, and common curve. In addition, classical irreversible thermodynamic relations for species in entities are averaged from the microscale to the macroscale. Finally, we comment on alternative approaches that can be used to connect species and entity conservation equations to a constrained system entropy inequality, which is a key component of the TCAT approach. The formulations detailed in this work can be built upon to develop models for species transport and reactions in a variety of multiphase systems.     

Eulerian-Lagrangian formulation of the equations for groundwater denitrification using bacterial activity

A mathematical model for groundwater denitrification using bacterial activity is presented. The model includes the momentum and mass balance equations for water and nitrogen, substrate and bacteria, and chemical reactions between them. The resulting multiphase, multicomponent, flow and transport governing equations, are coupled and nonlinear. A Eulerian-Lagrangian formulation of the equations is developed. The water and gas flow and transport equations are split into forward advection along characteristics, and a residual at a fixed frame of reference. Discontinuities, sharp fronts and steep gradients of the dependent variables are imposed on the advection mode and solved exactly. It is believed that this novel method will avoid numerical artifacts for the solution of the multiphase flow equations (e.g., upstream permeability) and numerical dispersion for the transport equation.     

Numerical modelling of multiphase flow in porous media

The simultaneous flow of immiscible fluids in porous media occurs in a wide variety of applications. The equations governing these flows are inherently nonlinear, and the geometries and material properties characterizing many problems in petroleum and groundwater engineering can be quite irregular. As a result, numerical simulation often offers the only viable approach to the mathematical modelling of multiphase flows. This paper provides an overview of the types of models that are used in this field and highlights some of the numerical techniques that have appeared recently. The exposition includes discussions of multiphase, multispecies flows in which chemical transport and interphase mass transfers play important roles. The paper also examines some of the outstanding physical and mathematical problems in multiphase flow simulation. The scope of the paper is limited to isothermal flows in natural porous media; however, many of the special techniques and difficulties discussed also arise in artificial porous media and multiphase flows with thermal effects.     

Stochastic analysis of immiscible displacement in porous media

The interface of two immiscible fluids flowing in porous media may behave in an unstable fashion. This instability is governed by the pore distribution, differential viscosity and interface tension between the two immiscible fluids. This study investigates the factors that control the interface instability at the wetting front. The development of the flow equation is based on the mass balance principle, with boundary conditions such as the velocity continuity and capillary pressure balance at the interface. By assuming that the two-phase fluids in porous media are saturated, a covariance function of the wetting front position is derived by stochastic theory. According to those results, the unstable interface between two immiscible fluids is governed by the fluid velocity and properties such as viscosity and density. The fluid properties that affect the interface instability are expressed as dimensionless parameters, mobility ratio, capillary number and Bond number. If the fluid flow is driven by gravitational force, whether the interface undergoes upward displacement or downward displacement, the variance of the unstable interface decreases with an increasing mobility ratio, increases with increasing capillary number, and decreases with increasing Bond number. For a circumstance in which fluid flow is horizontal, our results demonstrate that the capillary number does not influence the generation of the unstable interface.     

The dynamic response of fluid-saturated porous materials with application to seismically induced soil liquefaction

The numerical simulation of liquefaction phenomena in fluid-saturated porous materials within a continuum-mechanical framework is the aim of this contribution. This is achieved by exploiting the Theory of Porous Media (TPM) together with thermodynamically consistent elasto-viscoplastic constitutive laws. Additionally, the Finite Element Method (FEM) besides monolithic time-stepping schemes is used for the numerical treatment of the arising coupled multi-field problem. Within an isothermal and geometrically linear framework, the focus is on fully saturated biphasic materials with incompressible and immiscible phases. Thus, one is concerned with the class of volumetrically coupled problems involving a potentially strong coupling of the solid and fluid momentum balance equations and the algebraic incompressibility constraint. Applying the suggested material model, two important liquefaction-related incidents in porous media dynamics, namely the flow liquefaction and the cyclic mobility, are addressed, and a seismic soil–structure interaction problem to reveal the aforementioned two behaviors in saturated soils is introduced.     

A stationary principle for non conservative systems

A stationary principle is described to yield governing integral formulations for dissipative systems. Variation is applied on selective terms of energy or momentum functionals resulting with force or mass balance equations respectively. Applying the principle for a motion of a viscous fluid yields the Navier-Stokes equations as an approximation of the functional (i.e. equating to zero part of the integrand). When a Darcy's flow regime in a porous media is considered, implementing a space averaging method on the resultant integral derived by the principle, Forchheimer's law for energy accumulation and solute transport equation for momentum assembling are yielded in differential form approximation of a more extended functional formulation.     

A unifying framework for watershed thermodynamics: balance equations for mass,momentum, energy and entropy,and the second law of thermodynamics

The basic aim of this paper is to formulate rigorous conservation equations for mass, momentum, energy and entropy for a watershed organized around the channel network. The approach adopted is based on the subdivision of the whole watershed into smaller discrete units, called representative elementary watersheds (REW), and the formulation of conservation equations for these REWs. The REW as a spatial domain is divided into five different subregions: (1) unsaturated zone; (2) saturated zone; (3) concentrated overland flow; (4) saturated overland flow; and (5) channel reach. These subregions all occupy separate volumina. Within the REW, the subregions interact with each other, with the atmosphere on top and with the groundwater or impermeable strata at the bottom, and are characterized by typical flow time scales.The balance equations are derived for water, solid and air phases in the unsaturated zone, water and solid phases in the saturated zone and only the water phase in the two overland flow zones and the channel. In this way REW-scale balance equations, and respective exchange terms for mass, momentum, energy and entropy between neighbouring subregions and phases, are obtained. Averaging of the balance equations over time allows to keep the theory general such that the hydrologic system can be studied over a range of time scales. Finally, the entropy inequality for the entire watershed as an ensemble of subregions is derived as constraint-type relationship for the development of constitutive relationships, which are necessary for the closure of the problem. The exploitation of the second law and the derivation of constitutive equations for specific types of watersheds will be the subject of a subsequent paper.     

Conservation equations for nonisothermal flow in porous media

This paper presents the mass, momentum and energy equations that can be applied to nonisothermal flow in porous media. These equations are derived by taking a suitable volume average of the microscopic equations. The resulting macroscopic equations are then appropriate for experimental comparison.     

Hybrid upwind discretization of nonlinear two-phase flow with gravity

Multiphase flow in porous media is described by coupled nonlinear mass conservation laws. For immiscible Darcy flow of multiple fluid phases, whereby capillary effects are negligible, the transport equations in the presence of viscous and buoyancy forces are highly nonlinear and hyperbolic. Numerical simulation of multiphase flow processes in heterogeneous formations requires the development of discretization and solution schemes that are able to handle the complex nonlinear dynamics, especially of the saturation evolution, in a reliable and computationally efficient manner. In reservoir simulation practice, single-point upwinding of the flux across an interface between two control volumes (cells) is performed for each fluid phase, whereby the upstream direction is based on the gradient of the phase-potential (pressure plus gravity head). This upwinding scheme, which we refer to as Phase-Potential Upwinding (PPU), is combined with implicit (backward-Euler) time discretization to obtain a Fully Implicit Method (FIM). Even though FIM suffers from numerical dispersion effects, it is widely used in practice. This is because of its unconditional stability and because it yields conservative, monotone numerical solutions. However, FIM is not unconditionally convergent. The convergence difficulties are particularly pronounced when the different immiscible fluid phases switch between co-current and counter-current states as a function of time, or (Newton) iteration. Whether the multiphase flow across an interface (between two control-volumes) is co-current, or counter-current, depends on the local balance between the viscous and buoyancy forces, and how the balance evolves in time. The sensitivity of PPU to small changes in the (local) pressure distribution exacerbates the problem. The common strategy to deal with these difficulties is to cut the timestep and try again. Here, we propose a Hybrid-Upwinding (HU) scheme for the phase fluxes, then HU is combined with implicit time discretization to yield a fully implicit method. In the HU scheme, the phase flux is divided into two parts based on the driving force. The viscous-driven and buoyancy-driven phase fluxes are upwinded differently. Specifically, the viscous flux, which is always co-current, is upwinded based on the direction of the total-velocity. The buoyancy-driven flux across an interface is always counter-current and is upwinded such that the heavier fluid goes downward and the lighter fluid goes upward. We analyze the properties of the Implicit Hybrid Upwinding (IHU) scheme. It is shown that IHU is locally conservative and produces monotone, physically-consistent numerical solutions. The IHU solutions show numerical diffusion levels that are slightly higher than those for standard FIM (i.e., implicit PPU). The primary advantage of the IHU scheme is that the numerical overall-flux of a fluid phase remains continuous and differentiable as the flow regime changes between co-current and counter-current conditions. This is in contrast to the standard phase-potential upwinding scheme, in which the overall fractional-flow (flux) function is non-differentiable across the boundary between co-current and counter-current flows.     

Horizontal redistribution of fluids in a porous medium: The role of interfacial area in modeling hysteresis

Recent advances in multi-phase flow theory have shown that the flow of several phases in a porous medium is highly influenced by the interfaces separating these phases. First modeling studies based on this new theory have been performed on a pore scale, as well as on a volume-averaged macro scale using balance equations and constitutive relations that take the role and presence of interfaces into account. However, neither experimental data nor analytical solutions are available on the macro scale so far, although their knowledge is essential for the verification of the new models.     

New equations for binary gas transport in porous media,: Part 1: equation development

A rigorous understanding of the mass and momentum conservation equations for gas transport in porous media is vital for many environmental and industrial applications. We utilize the method of volume averaging to derive Darcy-scale, closure-level coupled equations for mass and momentum conservation. The up-scaled expressions for both the gas-phase advective velocity and the mass transport contain novel terms which may be significant under flow regimes of environmental significance. New terms in the velocity expression arise from the inclusion of a slip boundary condition and closure-level coupling to the mass transport equation. A new term in the mass conservation equation, due to the closure-level coupling, may significantly affect advective transport. Order of magnitude estimates based on the closure equations indicate that one or more of these new terms will be significant in many cases of gas flow in porous media.     

Direct simulations of two-phase flow on micro-CT images of porous media and upscaling of pore-scale forces

Pore-scale forces have a significant effect on the macroscopic behaviour of multiphase flow through porous media. This paper studies the effect of these forces using a new volume-of-fluid based finite volume method developed for simulating two-phase flow directly on micro-CT images of porous media. An analytical analysis of the relationship between the pore-scale forces and the Darcy-scale pressure drops is presented. We use this analysis to propose unambiguous definitions of Darcy-scale viscous pressure drops as the rate of energy dissipation per unit flow rate of each phase, and then use them to obtain the relative permeability curves. We show that this definition is consistent with conventional laboratory/field measurements by comparing our predictions with experimental relative permeability. We present single and two-phase flow simulations for primary oil injection followed by water injection on a sandpack and a Berea sandstone. The two-phase flow simulations are presented at different capillary numbers which cover the transition from capillary fingering at low capillary numbers to a more viscous fingering displacement pattern at higher capillary numbers, and the effect of capillary number on the relative permeability curves is investigated. Overall, this paper presents a new finite volume-based methodology for the detailed analysis of two-phase flow directly on micro-CT images of porous media and upscaling of the results to the Darcy scale.     

On the aquifer's integrated balance equations

A general methodology is presented for describing transport phenomena in porous media at a macroscopic level. Then, these macroscopic balance equations are integrated (or averaged) along the vertical for confined, leaky and phreatic aquifers.The results are employed to derive (averaged) aquifer equations for the flow of water and of a solute (hydrodynamic dispersion). It is shown that in all cases, the resulting equation is identical to that derived on the basis of an assumption of horizontal flow (the Dupuit assumption).Macrodispersion, occurring at the aquifer level, is discussed and appropriate coefficients are proposed.     

On the definition and derivatives of macroscale energy for the description of multiphase systems

Modeling of flow and transport in environmental systems often involves formulation of conservation equations at spatial scales involving tens to hundreds of pore diameters in porous media or the depth of flow in a channel. Quantities such as density, temperature, internal energy, and velocity may not be uniform over these macroscopic length scales. The external gravitational potential causes gradients in density, pressure, and chemical potential even at equilibrium. Despite these complications, it is important to formulate the thermodynamic analysis of environmental systems at the macroscopic scale. Heretofore, this has been accomplished primarily using the approach of rational thermodynamics whereby the thermodynamic dependence of macroscale internal energy on macroscale variables is hypothesized directly without development of any systematic method for transforming microscale energy dependence from the microscale to the macroscale. However when thermodynamic variables are inhomogeneous at the microscale, the functional dependence of macroscale internal energy on macroscale variables is not a simple extension of the microscale case. In the present work, the relation between the definitions of microscale and macroscale intensive thermodynamic variables is established. Expressions for the material derivatives of macroscale internal energy of phases, interfaces, and common lines are derived from and consistent with their microscopic counterparts by integrating to the macroscale. The forms obtained and the consistency required will be important for use in analyses of systems at scales where microscopic heterogeneities cannot be neglected.