Models and methods summary for the FEHMN application

Modification of the finite element heat and mass transfer code (FEHMN) to model multicomponent reactive transport

“…Additional reactive test problems are documented in the V&V Report for the E H M N Application (Dash, 1995b) and the V&V Plan and Procedures for the FEHMN Application (Dash, 1995a). Although numerous verification tests have been conducted, FEHMN is simply too complex for complete and unambiguous verification and validation.…”

“…Specifically, once all of the matrix elements in equation (13) are calculated, the system of equations can be solved by the linear equation solver, GZSOLVE (Zyvoloski and Robinson, 1995b). GZSOLVE solves the matrix equation set of the form of equation (I 3) using incomplete factorization and a Generalized Minimum Residual (GMRES) acceleration method.…”

“…FCA and SSIA both use GZSOLVE (Zyvoloski, 1995b) which utilizes the GMRES algorithm (Barrett et al, 1994;Dongarra et al, 1991) to solve the banded equation sets. SNIA uses a direct solver to solve the small, dense equation sets.…”

“…These verification runs are documented in the V&V Report (Dash,199%) for the FEHMN Application and the V&V Plan and Procedures for the FEHMN Application (Dash, 1995a). After the new reactive transport was added 6 EHMN, these verification runs were rerun to confirm that FEHMN was still working properly after the numerous code revisions.…”

LDRD final report: Physical simulation of nonisothermal multiphase multicomponent flow in porous media

“…Stearn table values are used for the thermodynamic properties of water, in both gas and liquid. The rational polynomial approximations given in Zyvoloski, et al, 1995, are implemented. Because of the low solubility of air in liquid water, a Henry's law partitioning (e.g., Reid et al, 1987) is assumed, where the Henry's "constant", PH rzl , has been modified for the molecular weight ratio of water to air.…”