Microbially mediated kinetic sulfur isotope fractionation: reactive transport modeling benchmark

Yiwei, Cheng; Arora, Bhavna; Sengör, Sevinc S.; Druhan, Jennifer L.; Wanner, Christoph; van Breukelen, Boris M.; Steefel, Carl I. (2020). Microbially mediated kinetic sulfur isotope fractionation: reactive transport modeling benchmark. Computational geosciences Springer 10.1007/s10596-020-09988-9

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Microbiallymediated sulfate reduction is a ubiquitous process inmany subsurface systems. Isotopic fractionation is characteristic of this anaerobic process, since sulfate-reducing bacteria (SRB) favor the reduction of the lighter sulfate isotopologue (S32O42−) over the heavier isotopologue (S34O42−). Detection of isotopic shifts has been utilized as a proxy for the onset of sulfate reduction in subsurface systems such as oil reservoirs and aquifers undergoing heavy metal and radionuclide bioremediation. Reactive transport modeling (RTM) of kinetic sulfur isotope fractionation has been applied to field and laboratory studies.We developed a benchmark problem set for the simulation of kinetic sulfur isotope fractionation during microbially mediated sulfate reduction.
The benchmark problem set is comprised of three problem levels and is based on a large-scale laboratory column experimental study of organic carbon amended sulfate reduction in soils from a uranium-contaminated aquifer. Pertinent processes impacting sulfur isotopic composition such as microbial sulfate reduction and iron-sulfide reactions are included in the problem set. This benchmark also explores the different mathematical formulations in the representation of kinetic sulfur isotope fractionation as employed in the different RTMs. Participating RTM codes are the following: CrunchTope, TOUGHREACT, PHREEQC, and PHT3D. Across all problem levels, simulation results from all RTMs demonstrate reasonable agreement

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Institute of Geological Sciences
08 Faculty of Science > Institute of Geological Sciences > Rock-Water Interaction

UniBE Contributor:

Wanner, Christoph

Subjects:

500 Science > 550 Earth sciences & geology

ISSN:

1420-0597

Publisher:

Springer

Language:

English

Submitter:

Christoph Wanner

Date Deposited:

02 Sep 2020 10:57

Last Modified:

02 Sep 2020 10:57

Publisher DOI:

10.1007/s10596-020-09988-9

BORIS DOI:

10.7892/boris.146243

URI:

https://boris.unibe.ch/id/eprint/146243

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