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Reactive transport codes for subsurface environmental simulation

  • ORIGINAL PAPER
  • Open access
  • Published: 26 September 2014
  • Volume 19, pages 445–478, (2015)
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Computational Geosciences Aims and scope Submit manuscript
Reactive transport codes for subsurface environmental simulation
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  • C. I. Steefel1,
  • C. A. J. Appelo2,
  • B. Arora1,
  • D. Jacques3,
  • T. Kalbacher4,
  • O. Kolditz4,
  • V. Lagneau5,
  • P. C. Lichtner6,
  • K. U. Mayer7,
  • J. C. L. Meeussen8,
  • S. Molins1,
  • D. Moulton9,
  • H. Shao4,
  • J. Šimůnek10,
  • N. Spycher1,
  • S. B. Yabusaki11 &
  • …
  • G. T. Yeh12 

  • 12k Accesses

  • 6 Altmetric

  • Explore all metrics

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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Authors and Affiliations

  1. Earth Sciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720, USA

    C. I. Steefel, B. Arora, S. Molins & N. Spycher

  2. Hydrochemical Consultant, Valeriusstraat 11, 1071 MB, Amsterdam, the Netherlands

    C. A. J. Appelo

  3. Institute for Environment, Health, and Safety, Belgian Nuclear Research Center, Mol, Belgium

    D. Jacques

  4. Department of Environmental Informatics, Helmholtz Centre for Environmental Research, Leipzig, Germany

    T. Kalbacher, O. Kolditz & H. Shao

  5. University, Centre de Géosciences, 35 rue Saint Honoré, 77305, Fontainebleau Cedex, France

    V. Lagneau

  6. Lichtner OFM Research, Santa Fe, NM, USA

    P. C. Lichtner

  7. Earth and Ocean Sciences, University of British Columbia, Vancouver, Canada

    K. U. Mayer

  8. WU Environmental Sciences, University of Wageningen, Wageningen, the Netherlands

    J. C. L. Meeussen

  9. Mathematical Modeling and Analysis, Los Alamos National Laboratory, Los Alamos, NM, USA

    D. Moulton

  10. Department of Environmental Sciences, UC Riverside, Riverside, CA, USA

    J. Šimůnek

  11. Earth Systems Science Division, Pacific Northwest National Laboratory, Richland, WA, USA

    S. B. Yabusaki

  12. National Central University, Jhongli, Taiwan

    G. T. Yeh

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  1. C. I. Steefel
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  2. C. A. J. Appelo
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Correspondence to C. I. Steefel.

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Steefel, C.I., Appelo, C.A.J., Arora, B. et al. Reactive transport codes for subsurface environmental simulation. Comput Geosci 19, 445–478 (2015). https://doi.org/10.1007/s10596-014-9443-x

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  • Received: 24 April 2014

  • Accepted: 26 August 2014

  • Published: 26 September 2014

  • Issue Date: June 2015

  • DOI: https://doi.org/10.1007/s10596-014-9443-x

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Keywords

  • Reactive transport
  • Modeling
  • Environmental simulation
  • Computer software
  • Code benchmark
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