Reactive Geochemical Transport Modeling of Concentrated Aqueous Solutions: Supplement to TOUGHREACT User's Guide for the Pitzer Ion-Interaction Model

摘要

In this report, we present: The Pitzer ion-interaction theory and models; Input file requirements for using the TOUGHREACT Pitzer ion-interaction model; and associated databases; Run-time error messages; Verification test cases and application examples. For the main code structure, features, overall solution methods, description of input/output files for parameters other than those specific to the implemented Pitzer model, and error messages, see the TOUGHREACT Users Guide (Xu et al., 2005). The TOUGHREACT Pitzer version runs on a DEC-alpha architecture CPU, under OSF1 V5.1, with Compaq Digital Fortran Compiler. The compiler run-time libraries are required for execution as well as compilation. The code also runs on Intel Pentium IV and higher-version CPU-based machines with Compaq Visual Fortran Compiler or Intel Fortran Compiler (integrated with the Microsoft Development Environment). The minimum hardware configuration should include 1 GB RAM and 1 GB (2 GB recommended) of available disk space.