TY - JOUR
T1 - Reactive transport codes for subsurface environmental simulation
AU - Steefel, C.I.
AU - Appelo, C.A.J.
AU - Arora, B.
AU - Kalbacher, D.
AU - Kolditz, O.
AU - Lagneau, V.
AU - Lichtner, P.C.
AU - Mayer, K.U.
AU - Meeussen, J.C.L.
AU - Molins, S.
AU - Moulton, D.
AU - Shao, D.
AU - Simunek, J.
AU - Spycher, N.
AU - Yabusaki, S.B.
AU - Yeh, G.T.
PY - 2015
Y1 - 2015
N2 - 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.
AB - 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.
KW - variably saturated flow
KW - dynamic leaching tests
KW - fluid-rock interaction
KW - porous-media
KW - chemical-reactions
KW - co2 sequestration
KW - biogeochemical processes
KW - geochemical speciation
KW - preferential flow
KW - heterogeneous aquifers
U2 - 10.1007/s10596-014-9443-x
DO - 10.1007/s10596-014-9443-x
M3 - Article
VL - 19
SP - 445
EP - 478
JO - Computational Geosciences
JF - Computational Geosciences
SN - 1420-0597
IS - 3
ER -