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

• Published in: Geoscientific Model Development 2017-12, Vol.10 (12), p.4525-4538
• Main Authors: Hansen, Scott K, Pandey, Sachin, Karra, Satish, Vesselinov, Velimir V
• Format: Article
• Language: English
• Subjects: Aquifers; Biocides; Biofouling; Biogeochemistry; Biomass; Bioremediation; Chemical speciation; Chromium; Computer applications; Computer simulation; Contamination; Dynamics; Environmental aspects; Environmental remediation; Groundwater; Groundwater pollution; Heavy metals; Mathematical models; Reduction (metal working); Remediation; Transport; Water pollution
• ISSN: 1991-9603; 1991-959X; 1991-962X; 1991-9603; 1991-962X
• DOI: 10.5194/gmd-10-4525-2017

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.