Reactive transport codes for subsurface environmental simulation

C. I. Steefel; C. A.J. Appelo; B. Arora; D. Jacques; T. Kalbacher; O. Kolditz; V. Lagneau; P. C. Lichtner; K. U. Mayer; J. C.L. Meeussen; S. Molins; D. Moulton; H. Shao; J. Šimůnek; N. Spycher; S. B. Yabusaki; G. T. Yeh

doi:10.1007/s10596-014-9443-x

Reactive transport codes for subsurface environmental simulation

C. I. Steefel, C. A.J. Appelo, B. Arora, D. Jacques, T. Kalbacher, O. Kolditz, V. Lagneau, P. C. Lichtner, K. U. Mayer, J. C.L. Meeussen, S. Molins, D. Moulton, H. Shao, J. Šimůnek, N. Spycher, S. B. Yabusaki, G. T. Yeh

Graduate Institute of Applied Geology

Research output: Contribution to journal › Article › peer-review

593 Scopus citations

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.

Original language	English
Pages (from-to)	445-478
Number of pages	34
Journal	Computational Geosciences
Volume	19
Issue number	3
DOIs	https://doi.org/10.1007/s10596-014-9443-x
State	Published - 26 Sep 2015

Keywords

Code benchmark
Computer software
Environmental simulation
Modeling
Reactive transport

Access to Document

10.1007/s10596-014-9443-x

Cite this

Steefel, C. I., Appelo, C. A. J., Arora, B., Jacques, D., Kalbacher, T., Kolditz, O., Lagneau, V., Lichtner, P. C., Mayer, K. U., Meeussen, J. C. L., Molins, S., Moulton, D., Shao, H., Šimůnek, J., Spycher, N., Yabusaki, S. B., & Yeh, G. T. (2015). Reactive transport codes for subsurface environmental simulation. Computational Geosciences, 19(3), 445-478. https://doi.org/10.1007/s10596-014-9443-x

@article{6f6f78387d6d4862858c9d37a2cf64be,

title = "Reactive transport codes for subsurface environmental simulation",

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.",

keywords = "Code benchmark, Computer software, Environmental simulation, Modeling, Reactive transport",

author = "Steefel, {C. I.} and Appelo, {C. A.J.} and B. Arora and D. Jacques and T. Kalbacher and O. Kolditz and V. Lagneau and Lichtner, {P. C.} and Mayer, {K. U.} and Meeussen, {J. C.L.} and S. Molins and D. Moulton and H. Shao and J. {\v S}imůnek and N. Spycher and Yabusaki, {S. B.} and Yeh, {G. T.}",

note = "Publisher Copyright: {\textcopyright} 2014, The Author(s).",

year = "2015",

month = sep,

day = "26",

doi = "10.1007/s10596-014-9443-x",

language = "???core.languages.en_GB???",

volume = "19",

pages = "445--478",

journal = "Computational Geosciences",

issn = "1420-0597",

number = "3",

}

Steefel, CI, Appelo, CAJ, Arora, B, Jacques, D, Kalbacher, T, Kolditz, O, Lagneau, V, Lichtner, PC, Mayer, KU, Meeussen, JCL, Molins, S, Moulton, D, Shao, H, Šimůnek, J, Spycher, N, Yabusaki, SB & Yeh, GT 2015, 'Reactive transport codes for subsurface environmental simulation', Computational Geosciences, vol. 19, no. 3, pp. 445-478. https://doi.org/10.1007/s10596-014-9443-x

TY - JOUR

T1 - Reactive transport codes for subsurface environmental simulation

AU - Steefel, C. I.

AU - Appelo, C. A.J.

AU - Arora, B.

AU - Jacques, D.

AU - Kalbacher, T.

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, H.

AU - Šimůnek, J.

AU - Spycher, N.

AU - Yabusaki, S. B.

AU - Yeh, G. T.

PY - 2015/9/26

Y1 - 2015/9/26

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 - Code benchmark

KW - Computer software

KW - Environmental simulation

KW - Modeling

KW - Reactive transport

UR - http://www.scopus.com/inward/record.url?scp=84933181545&partnerID=8YFLogxK

U2 - 10.1007/s10596-014-9443-x

DO - 10.1007/s10596-014-9443-x

M3 - 期刊論文

AN - SCOPUS:84933181545

SN - 1420-0597

VL - 19

SP - 445

EP - 478

JO - Computational Geosciences

JF - Computational Geosciences

IS - 3

ER -

Reactive transport codes for subsurface environmental simulation

Abstract

Keywords

Access to Document

Fingerprint

Cite this