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Geoscientific Model Development An interactive open-access journal of the European Geosciences Union
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Volume 10, issue 12
Geosci. Model Dev., 10, 4525–4538, 2017
https://doi.org/10.5194/gmd-10-4525-2017
© Author(s) 2017. This work is distributed under
the Creative Commons Attribution 3.0 License.
Geosci. Model Dev., 10, 4525–4538, 2017
https://doi.org/10.5194/gmd-10-4525-2017
© Author(s) 2017. This work is distributed under
the Creative Commons Attribution 3.0 License.

Model description paper 08 Dec 2017

Model description paper | 08 Dec 2017

CHROTRAN 1.0: A mathematical and computational model for in situ heavy metal remediation in heterogeneous aquifers

Scott K. Hansen, Sachin Pandey, Satish Karra, and Velimir V. Vesselinov Scott K. Hansen et al.
  • Computational Earth Science Group (EES-16), Los Alamos National Laboratory, Los Alamos, NM, USA

Abstract. Groundwater contamination by heavy metals is a critical environmental problem for which in situ remediation is frequently the only viable treatment option. For such interventions, a multi-dimensional reactive transport model of relevant biogeochemical processes is invaluable. To this end, we developed a model, chrotran, for in situ treatment, which includes full dynamics for five species: a heavy metal to be remediated, an electron donor, biomass, a nontoxic conservative bio-inhibitor, and a biocide. Direct abiotic reduction by donor–metal interaction as well as donor-driven biomass growth and bio-reduction are modeled, along with crucial processes such as donor sorption, bio-fouling, and biomass death. Our software implementation handles heterogeneous flow fields, as well as arbitrarily many chemical species and amendment injection points, and features full coupling between flow and reactive transport. We describe installation and usage and present two example simulations demonstrating its unique capabilities. One simulation suggests an unorthodox approach to remediation of Cr(VI) contamination.

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Groundwater contamination by heavy metals is a critical environmental problem for which in situ remediation is frequently the only viable treatment option. We developed a computer model for simulating such interventions, which includes custom reaction kinetics equations for the coupled interactions between the metal, the existing microbial population, and a number of possible chemical amendments. We describe installation and usage and present two instructive example simulations.
Groundwater contamination by heavy metals is a critical environmental problem for which in situ...
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