Reactive transport codes for subsurface environmental simulation

Carl I. Steefel(Lawrence Berkeley National Laboratory), C.A.J. Appelo(GGD Amsterdam), Bhavna Arora(Lawrence Berkeley National Laboratory), Diederik Jacques(Belgian Nuclear Research Centre), Thomas Kalbacher(Helmholtz Centre for Environmental Research), Olaf Kolditz(Helmholtz Centre for Environmental Research), Vincent Lagneau(Centre de Géosciences), Peter C. Lichtner(OFM Research (United States)), K. Ulrich Mayer(University of British Columbia), J.C.L. Meeussen(Wageningen University & Research), Sergi Molins(Lawrence Berkeley National Laboratory), D. Moulton(Los Alamos National Laboratory), Haibing Shao(Helmholtz Centre for Environmental Research), Jiřı́ Šimůnek(University of California, Riverside), Nicolas Spycher(Lawrence Berkeley National Laboratory), Steven B. Yabusaki(Pacific Northwest National Laboratory), Gour‐Tsyh Yeh(National Central University)
Computational Geosciences
September 25, 2014
10.1007/s10596-014-9443-x
Cited by 805Open Access
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Abstract

A general description of the mathematical and numerical formulations used in modern numerical reactive transport codes relevant for subsurface environmental simulations is presented. The formulations are followed by short descriptions of commonly used and available subsurface simulators that consider continuum representations of flow, transport, and reactions in porous media. These formulations are applicable to most of the subsurface environmental benchmark problems included in this special issue. The list of codes described briefly here includes PHREEQC, HPx, PHT3D, OpenGeoSys (OGS), HYTEC, ORCHESTRA, TOUGHREACT, eSTOMP, HYDROGEOCHEM, CrunchFlow, MIN3P, and PFLOTRAN. The descriptions include a high-level list of capabilities for each of the codes, along with a selective list of applications that highlight their capabilities and historical development.

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