Coupling of COMSOL and PHREEQC for the Simulation of Environmental Flow and Transport Processes with Geochemical Reactions
Wissmeier, Laurin
2013

Abstract

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).

Details

Title Coupling of COMSOL and PHREEQC for the Simulation of Environmental Flow and Transport Processes with Geochemical Reactions
Author(s) Wissmeier, Laurin
Date 2013
Publisher Dr. Laurin Wissmeier
Keywords
Note 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.
Laboratories ECOL
Record Appears in Scientific production and competences > ENAC - School of Architecture, Civil and Environmental Engineering > IIE - Environmental Engineering Institute > ECOL - Ecological Engineering Laboratory
Working papers
Work produced at EPFL
Record creation date 2013-01-23

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