Computational Geosciences

, Volume 19, Issue 3, pp 445–478 | Cite as

Reactive transport codes for subsurface environmental simulation

  • C. I. SteefelEmail author
  • 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
Open Access


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.


Reactive transport Modeling Environmental simulation Computer software Code benchmark 


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Copyright information

© The Author(s) 2014

Authors and Affiliations

  • C. I. Steefel
    • 1
    Email author
  • C. A. J. Appelo
    • 2
  • B. Arora
    • 1
  • D. Jacques
    • 3
  • T. Kalbacher
    • 4
  • O. Kolditz
    • 4
  • V. Lagneau
    • 5
  • P. C. Lichtner
    • 6
  • K. U. Mayer
    • 7
  • J. C. L. Meeussen
    • 8
  • S. Molins
    • 1
  • D. Moulton
    • 9
  • H. Shao
    • 4
  • J. Šimůnek
    • 10
  • N. Spycher
    • 1
  • S. B. Yabusaki
    • 11
  • G. T. Yeh
    • 12
  1. 1.Earth Sciences DivisionLawrence Berkeley National LaboratoryBerkeleyUSA
  2. 2.Hydrochemical ConsultantAmsterdamthe Netherlands
  3. 3.Institute for Environment, Health, and Safety, Belgian Nuclear Research CenterMolBelgium
  4. 4.Department of Environmental InformaticsHelmholtz Centre for Environmental ResearchLeipzigGermany
  5. 5.University, Centre de GéosciencesFontainebleau CedexFrance
  6. 6.Lichtner OFM ResearchSanta FeUSA
  7. 7.Earth and Ocean SciencesUniversity of British ColumbiaVancouverCanada
  8. 8.WU Environmental SciencesUniversity of WageningenWageningenthe Netherlands
  9. 9.Mathematical Modeling and AnalysisLos Alamos National LaboratoryLos AlamosUSA
  10. 10.Department of Environmental SciencesUC RiversideRiversideUSA
  11. 11.Earth Systems Science DivisionPacific Northwest National LaboratoryRichlandUSA
  12. 12.National Central UniversityJhongliTaiwan

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