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

Scott K. Hansen, Sachin Pandey, Satish Karra, Velimir V. Vesselinov

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

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.

Original languageEnglish
Pages (from-to)4525-4538
Number of pages14
JournalGeoscientific Model Development
Volume10
Issue number12
DOIs
StatePublished - 1 Jan 2017
Externally publishedYes

ASJC Scopus subject areas

  • Modeling and Simulation
  • Earth and Planetary Sciences (all)

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