Microscale modeling of nondilute flow and transport in porous medium systems

Phys Rev E. 2020 Sep;102(3-1):033104. doi: 10.1103/PhysRevE.102.033104.

Abstract

Nondilute transport occurs routinely in porous medium systems. Experimental observations have revealed effects that seemingly depend upon density, viscosity, velocity, and chemical activity. Macroscale models based upon averaged behavior over many pores have been relied upon to describe such systems to date, which require parametrization of important physical phenomena in material coefficients. To advance fundamental understanding of these complex systems, we examine nondilute transport from a fundamental microscale, or pore-scale, continuum modeling perspective. We approximate the solution of a model based upon the variable-density Navier-Stokes equations and a nondilute species transport equation. Known dependencies of the densities, viscosities, chemical activity, and diffusion for a salt solution on chemical composition are included in the model. Microscale model solutions are averaged to the macroscale and compared with extant experimental observations. Investigation of the effects of various physical phenomena on the microscale velocity distribution and the observed macroscale dispersion are considered using dimensional analysis and constrained simulations. Simulation results are used to explain observed experimental results in light of underlying mechanisms. Conditions under which the various physicochemical effects investigated are important are revealed.