skip to main content

DOE PAGESDOE PAGES

Title: Reactive transport codes for subsurface environmental simulation

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.
Authors:
 [1] ;  [2] ;  [1] ;  [3] ;  [4] ;  [4] ;  [5] ;  [6] ;  [7] ;  [8] ;  [1] ;  [9] ;  [4] ;  [10] ;  [1] ;  [11] ;  [12]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Hydrochemical Consultant, Amsterdam (Netherlands)
  3. Belgian Nuclear Research Center (SCK-CEN), Mol (Belgium)
  4. Helmholtz Centre for Environmental Research, Leipzig (Germany)
  5. Centre de Geosciences, Fontainbleau Cedex (France)
  6. Lichtner OFM Research, Santa Fe, NM (United States)
  7. Univ. of British Columbia, Vancouver, BC (Canada)
  8. Univ. of Wageningen (Netherlands)
  9. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  10. Univ. of California, Riverside, CA (United States)
  11. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  12. National Central Univ., Jhongli (Taiwan)
Publication Date:
Grant/Contract Number:
AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Computational Geosciences
Additional Journal Information:
Journal Volume: 19; Journal Issue: 3; Journal ID: ISSN 1420-0597
Publisher:
Springer
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)
Country of Publication:
United States
Language:
English
Subject:
54 ENVIRONMENTAL SCIENCES; 97 MATHEMATICS AND COMPUTING
OSTI Identifier:
1407396

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., and Yeh, G. T.. Reactive transport codes for subsurface environmental simulation. United States: N. p., Web. doi:10.1007/s10596-014-9443-x.
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.. Reactive transport codes for subsurface environmental simulation. United States. doi:10.1007/s10596-014-9443-x.
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., and Yeh, G. T.. 2014. "Reactive transport codes for subsurface environmental simulation". United States. doi:10.1007/s10596-014-9443-x. https://www.osti.gov/servlets/purl/1407396.
@article{osti_1407396,
title = {Reactive transport codes for subsurface environmental simulation},
author = {Steefel, C. I. and Appelo, C. A. J. and Arora, B. and Jacques, D. and Kalbacher, T. and Kolditz, O. and Lagneau, V. and Lichtner, P. C. and Mayer, K. U. and Meeussen, J. C. L. and Molins, S. and Moulton, D. and Shao, H. and Šimůnek, J. and Spycher, N. and Yabusaki, S. B. and Yeh, G. T.},
abstractNote = {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.},
doi = {10.1007/s10596-014-9443-x},
journal = {Computational Geosciences},
number = 3,
volume = 19,
place = {United States},
year = {2014},
month = {9}
}