Articles | Volume 8, issue 10
Development and technical paper
22 Oct 2015
Development and technical paper |  | 22 Oct 2015

A parallelization scheme to simulate reactive transport in the subsurface environment with OGS#IPhreeqc 5.5.7-3.1.2

W. He, C. Beyer, J. H. Fleckenstein, E. Jang, O. Kolditz, D. Naumov, and T. Kalbacher

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Cited articles

Bailey, R. T., Morway, E. D., Niswonger, R. G., and Gates, T. K.: Modeling variably saturated multispecies reactive groundwater solute transport with MODFLOW-UZF and RT3D, Ground Water, 51, 752–761, 2013.
Ballarini, E., Beyer, C., Bauer, R. D., Griebler, C., and Bauer, S.: Model based evaluation of a contaminant plume development under aerobic and anaerobic conditions in 2-D bench-scale tank experiments, Biodegradation, 25, 351–371, 2014.
Beyer, C., Li, D., De Lucia, M., Kühn, M., and Bauer, S.: Modelling CO2-induced fluid-rock interactions in the Altensalzwedel gas reservoir. Part II: coupled reactive transport simulation, Environ. Earth Sci., 67, 573–588, 2012.
Centler, F., Shao, H. B., De Biase, C., Park, C. H., Regnier, P., Kolditz, O., and Thullner, M.: GeoSysBRNS – A flexible multidimensional reactive transport model for simulating biogeochemical subsurface processes, Comput. Geosci., 36, 397–405, 2010.
Charlton, S. R. and Parkhurst, D. L.: Modules based on the geochemical model PHREEQC for use in scripting and programming languages, Comput. Geosci., 37, 1653–1663, 2011.
Short summary
This technical paper presents a new tool to simulate reactive transport processes in subsurface systems and which couples the open-source software packages OpenGeoSys and IPhreeqc. A flexible parallelization scheme was developed and implemented to enable an optimized allocation of computer resources. The performance tests of the coupling interface and parallelization scheme illustrate the promising efficiency of this generally valid approach to simulate reactive transport problems.