Development of robust and efficient methods for the computation of multiphase systems has long been a challenge in both chemical and petroleum engineering as well as in materials science. Several techniques have been developed, particularly those which apply the Gibbs free energy minimization. In addition to calculation of global equilibrium problems, practical process simulation would benefit ...

Application of the lattice Boltzmann method (LBM) to invasion percolation of single component multiphase fluids in porous media offers an opportunity for more realistic modeling of the configurations and dynamics of liquid/vapor and liquid/solid interfaces. The complex geometry of connected paths in standard invasion percolation models arises solely from the spatial arrangement of simple elemen...

We present a new method of deriving microstructure-dependent bounds on the effective properties of general heterogeneous media. The microstructure is specified by the average Eshelby tensors. In the small contrast limit, we introduce and calculate the expansion coefficient tensors. We then show that the effective tensor satisfies a differential inequality with the initial condition given by the...

The constitutive relationships required for the parameterization of multiphase flow and transport problems are of critical importance to hydrologic modeling. Recently, a hypothesis has been developed that predicts a functional relationship between capillary pressure, saturation, and interfacial area. A network model was developed to test this hypothesis. Microscale physical processes were simul...

The effect of flow instabilities on capillary trapping mechanisms is a major source of uncertainty in CO2 sequestration in deep saline aquifers. Standard macroscopic models of multiphase flow in porous media are unable to explain and quantitatively predict the onset and structure of viscous-unstable flows, such as the displacement of brine by the injected CO2. We present the first step of a res...

An understanding of load sharing among constituent phases aids in designing mechanical properties of multiphase materials. Here we investigate load partitioning between the body-centered-cubic iron matrix and NiAl-type precipitates in a ferritic alloy during uniaxial tensile tests at 364 and 506 °C on multiple length scales by in situ neutron diffraction and crystal plasticity finite element mo...

We consider a computational model for the evolution of methane hydrates in subsurface. Methane hydrates, an ice-like compound abundant in subsea sediments and unstable in standard conditions, are an environmental hazard and simultaneously an energy source. Our multiphysics model includes multiphase multicomponent mass conservation equations and several variants of energy balance equation with o...

Smoothed particle hydrodynamics (SPH) is a Lagrangian method based on a meshless discretization of partial differential equations. In this review, we present SPH discretization of the Navier-Stokes and advection-diffusionreaction equations, implementation of various boundary conditions, and time integration of the SPH equations, and we discuss applications of the SPH method for modeling pore-sc...

The Numerical modeling of burning particles, initiated from a heavily aluminized High Explosive (HE) is being investigated. Reactive multiphase flows must be modeled to properly account for variable-size aluminum particles burning behind the blast wave. The governing equations also include models for solid evaporation and chemical reactions. The final paper will present comparison of experiment...