TOUGHREACT-Brine: Supplement to TOUGHREACT-V4.0-OMP User’s Guide for Modeling Concentrated Solutions and Osmosis Using the Pitzer Ion-Interaction Model

Author(s): Spycher, Nicolas; Zhang, Guoxiang; Sonnenthal, Eric; Molins, Sergi | Abstract: TOUGHREACT-Brine implements the Pitzer ion activity model into V3.85-OMP and above, taking advantage of all code upgrades since the release of its predecessor version V1.21-Pitzer, including Open-MP parallelization of the geochemical computations, bug fixes, and upgrades to simulate the osmotic flow of water and two-dimensional Poiseuille flow for applications to membrane desalination. Contrarily to the previous standalone V1.21-Pizer version, this “Brine” version has been fully integrated into TOUGHREACT V4.00-OMP, which can be run with or without the Pitzer ion activity model option. In this report, we present: (1) The Pitzer ion-interaction theory and implemented model into TOUGREACT, (2) Input requirements for using the new Brine options, (3) Verification test cases, and (4) Sample problems.