Reactive Geochemical Transport Modeling of Concentrated AqueousSolutions: Supplement to TOUGHREACT User's Guide for the PitzerIon-Interaction Model

Zhang, Guoxiang ; Spycher, Nicolas ; Xu, Tianfu ; Sonnenthal, Eric ; Steefel , Carl

Lawrence Berkeley National Laboratory

关键词: Reactive Transport Pitzer Ion-Ionteraction Model Highconcentration High Ionic Strength Vapor Pressure Lowering Dryout;    Verification Reactive Transport Pitzer Ion-Ionteraction Model Highconcentration High Ionic Strength Vapor Pressure Lowering Dryout;    54;    Simulation;    Aqueous Solutions;   

DOI  :  10.2172/919388
RP-ID  :  LBNL--62718
RP-ID  :  DE-AC02-05CH11231
RP-ID  :  919388

美国|英语

来源: UNT Digital Library

【 摘 要 】

In this report, we present: -- The Pitzer ion-interactiontheory and models -- Input file requirements for using the TOUGHREACTPitzer ion-interaction model and associated databases -- Run-time errormessages -- Verification test cases and application examples. For themain code structure, features, overall solution methods, description ofinput/output files for parameters other than those specific to theimplemented Pitzer model, and error messages, see the TOUGHREACT User'sGuide (Xu et al., 2005). The TOUGHREACT Pitzer version runs on aDEC-alpha architecture CPU, under OSF1 V5.1, with Compaq Digital FortranCompiler. The compiler run-time libraries are required for execution aswell as compilation. The code also runs on Intel Pentium IV andhigher-version CPU-based machines with Compaq Visual Fortran Compiler orIntel Fortran Compiler (integrated with the Microsoft DevelopmentEnvironment). The minimum hardware configuration should include 1 GB RAMand 1 GB (2 GB recommended) of available disk space.