Development of the FMT chemical transport simulator: Coupling aqueous density and mineral volume fraction to phase compositions

The Fracture-Matrix Transport (FMT) code couples saturated porous medium advection and diffusion with mechanistic chemical models for speciation and interphase reactions. Previous versions of FMT simulated double-porosity transport in two dimensions on the continuum from advection- to diffusion-dominated, with a user-specified velocity field to allow double-porosity transport. However, aqueous density was assumed constant, and reactive minerals were assumed to occupy negligible volume. Both of these assumptions can be considered poor for evaporite systems, where large changes in porosity and aqueous density can result from high mineral solubilities. Further development of FMT has relaxed these restrictions, allowing aqueous density to vary with phase composition, and allowing void volume to change as minerals dissolve and precipitate. This paper describes the additional mathematical complexity and code modifications required to simulate such systems. The sensitivity of advection-dominated transport to these variables is explored briefly in a one-dimensional example.