Florian Frank

A phase-field method for the direct simulation of two-phase flows in pore-scale media using a non-equilibrium wetting boundary condition

Advances in pore-scale imaging (e.g., μ-CT scanning), increasing availability of computational resources, and recent developments in numerical algorithms have started rendering direct pore-scale numerical simulations of multi-phase flow on pore structures feasible. Quasi-static methods, where the viscous and the capillary limit are iterated sequentially, fall short in rigorously capturing crucial flow phenomena at the pore scale. Direct simulation techniques are needed that account for the full coupling between capillary and viscous flow phenomena. Consequently, there is a strong demand for robust and effective numerical methods that can deliver high-accuracy, high-resolution solutions of pore-scale flow in a computationally efficient manner. Direct simulations of pore-scale flow on imaged volumes can yield important insights about physical phenomena taking place during multi-phase, multi-component displacements. Such simulations can be utilized for optimizing various enhanced oil recovery (EOR) schemes and permit the computation of effective properties for Darcy-scale multi-phase flows.We implement a phase-field model for the direct pore-scale simulation of incompressible flow of two immiscible fluids. The model naturally lends itself to the transport of fluids with large density and viscosity ratios. In the phase-field approach, the fluid-phase interfaces are expressed in terms of thin transition regions, the so-called diffuse interfaces, for increased computational efficiency. The conservation law of mass for binary mixtures leads to the advective Cahn–Hilliard equation and the condition that the velocity field is divergence free. Momentum balance, on the other hand, leads to the Navier–Stokes equations for Newtonian fluids modified for two-phase flow and coupled to the advective Cahn–Hilliard equation. Unlike the volume of fluid (VoF) and level-set methods, which rely on regularization techniques to describe the phase interfaces, the phase-field method facilitates a thermodynamic treatment of the phase interfaces, rendering it more physically consistent for the direct simulations of two-phase pore-scale flow. A novel geometric wetting (wall) boundary condition is implemented as part of the phase-field method for the simulation of two-fluid flows with moving contact lines. The geometric boundary condition accurately replicates the prescribed equilibrium contact angle and is extended to account for dynamic (non-equilibrium) effects. The coupled advective Cahn–Hilliard and modified Navier–Stokes (phase-field) system is solved by using a robust and accurate semi-implicit finite volume method. An extension of the momentum balance equations is also implemented for Herschel–Bulkley (non-Newtonian) fluids. Non-equilibrium-induced two-phase flow problems and dynamic two-phase flows in simple two-dimensional (2-D) and three-dimensional (3-D) geometries are investigated to validate the model and its numerical implementation. Quantitative comparisons are made for cases with analytical solutions. Two-phase flow in an idealized 2-D pore-scale conduit is simulated to demonstrate the viability of the proposed direct numerical simulation approach.

Asynchronous Hybrid Parallel SpMV in an Industrial Application

Pore-scale simulation is both computationally challenging and a key element of hydrocarbon exploration and production ([1], [2], [3]). The subject of this study is the efficient solution of the linear systems arising from the discretization of the Cahn–Hilliard equation ([4], [5]), which governs the separation of a two-component fluid mixture. We investigate synchronous and asynchronous parallel iterative solvers for our simulation. We focus our efforts on two main aspects: first, software infrastructure that supports this kind of computations, mainly Trilinos and GaspiLS. Second, scalability and performance analysis. The asynchronous solver performs well and scales better than the synchronous ones for most test problems, especially for large systems distributed over many computational nodes (up to 23% faster and 10% higher parallel efficiency in these cases).

An energy-based equilibrium contact angle boundary condition on jagged surfaces for phase-field methods

We consider an energy-based boundary condition to impose an equilibrium wetting angle for the Cahn-Hilliard-Navier-Stokes phase-field model on voxel-set-type computational domains. These domains typically stem from μCT (micro computed tomography) imaging of porous rock and approximate a (on μm scale) smooth domain with a certain resolution. Planar surfaces that are perpendicular to the main axes are naturally approximated by a layer of voxels. However, planar surfaces in any other directions and curved surfaces yield a jagged/topologically rough surface approximation by voxels. For the standard Cahn-Hilliard formulation, where the contact angle between the diffuse interface and the domain boundary (fluid-solid interface/wall) is 90°, jagged surfaces have no impact on the contact angle. However, a prescribed contact angle smaller or larger than 90° on jagged voxel surfaces is amplified. As a remedy, we propose the introduction of surface energy correction factors for each fluid-solid voxel face that counterbalance the difference of the voxel-set surface area with the underlying smooth one. The discretization of the model equations is performed with the discontinuous Galerkin method. However, the presented semi-analytical approach of correcting the surface energy is equally applicable to other direct numerical methods such as finite elements, finite volumes, or finite differences, since the correction factors appear in the strong formulation of the model.

A finite volume / discontinuous Galerkin method for the advective Cahn–Hilliard equation with degenerate mobility on porous domains stemming from micro-CT imaging

A numerical method is formulated for the solution of the advective Cahn–Hilliard (CH) equation with constant and degenerate mobility in three-dimensional porous media with non-vanishing velocity on the exterior boundary. The CH equation describes phase separation of an immiscible binary mixture at constant temperature in the presence of a conservation constraint and dissipation of free energy. Porous media / pore-scale problems specifically entail images of rocks in which the solid matrix and pore spaces are fully resolved. The interior penalty discontinuous Galerkin method is used for the spatial discretization of the CH equation in mixed form, while a semi-implicit convex–concave splitting is utilized for temporal discretization. The spatial approximation order is arbitrary, while it reduces to a finite volume scheme for the choice of element-wise constants. The resulting nonlinear systems of equations are reduced using the Schur complement and solved via inexact Newton’s method. The numerical scheme is first validated using numerical convergence tests and then applied to a number of fundamental problems for validation and numerical experimentation purposes including the case of degenerate mobility. First-order physical applicability and robustness of the numerical method are shown in a breakthrough scenario on a voxel set obtained from a micro-CT scan of a real sandstone rock sample.