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Geoscientific Model Development An interactive open-access journal of the European Geosciences Union
https://doi.org/10.5194/gmd-2017-51
© Author(s) 2017. This work is distributed under
the Creative Commons Attribution 3.0 License.
Model description paper
25 Apr 2017
Review status
This discussion paper is a preprint. A revision of this manuscript was accepted for the journal Geoscientific Model Development (GMD) and is expected to appear here in due course.
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 Computational Earth Science Group (EES-16), Los Alamos National Laboratory
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 three-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, 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.

Citation: Hansen, S. K., Pandey, S., Karra, S., and Vesselinov, V. V.: CHROTRAN 1.0: A mathematical and computational model for in situ heavy metal remediation in heterogeneous aquifers, Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2017-51, in review, 2017.
Scott K. Hansen et al.
Scott K. Hansen et al.
Scott K. Hansen et al.

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Short summary
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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