Coupling of COMSOL and PHREEQC for the Simulation of Environmental Flow and Transport Processes with Geochemical Reactions
COMSOL_PHREEQC is a software tool that couples the generic finite element solver COMSOL Multiphysics® with the geochemical modeling framework PHREEQC to simulate a wide variety of environmental flow and transport processes (COMSOL) together with comprehensive geochemical reactions (PHREEQC).
2013
Dr. Laurin Wissmeier
Dr. Wissmeier can be contacted at laurin.wissmeier@afconsult.com. The tool is realized through MATLAB and COMSOL’s LiveLink® together with the COM version of PHREEQC, called IPhreeqcCOM. Software requirements: • MATLAB® (tested version: 8.0; release 2012b) o With the optional Parallel Processing Toolbox, geochemical reaction calculations can be distributed among multiple processors. • COMSOL with MATLAB LiveLink (tested version 4.3a) • COM version of IPhreeqc (tested version 2.18.5570; available free of charge at http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/index.html) For the user-friendly creation of coupled models, the common graphical interfaces of COMSOL and PHREEQC are employed. To receive the latest coupling files, with numerous application examples write an e-mail to laurin.wissmeier@epfl.ch. For technical details consult: Wissmeier, L. and D. A. Barry (2011). "Simulation tool for variably saturated flow with comprehensive geochemical reactions in two- and three-dimensional domains." Environmental Modelling & Software 26(2011): 210-218. and Wissmeier, L., D. A. Barry and I. R. Phillips (2011). "Predictive hydrogeochemical modelling of bauxite residue sand in field conditions." Journal of Hazardous Materials 191(1–3): 306-324.
EPFL