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Title: CHROTRAN, 1.0

Abstract

CHROTRAN is a fork of the widely-used PFLOTRAN flow and reactive transport numerical simulation code. It implements custom physics and chemistry appropriate to the design of in-situ reduction of heavy metals such as Cr(VI) in groundwater. CHROTRAN includes full dynamics for five species: the metal to be remediated, an electron donor, biofilm, 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, and biofilm inactivation. The software implementation handles heterogeneous flow fields, arbitrarily many chemical species and amendment injection points, and features full coupling between flow and reactive transport, allowing for assessment of the effect of bio-fouling.

Authors:
 [1];  [1];  [1];  [1]
  1. LANL
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
Contributing Org.:
Los Alamos National Laboratory (LANL)
OSTI Identifier:
1351891
Report Number(s):
CHROTRAN; 005231MLTPL00
C17061
DOE Contract Number:  
AC52-06NA25396
Resource Type:
Software
Software Revision:
00
Software Package Number:
005231
Software CPU:
MLTPL
Open Source:
Yes
Open Source under the GPL v3 License.
Source Code Available:
Yes
Country of Publication:
United States

Citation Formats

Hansen, Scott K., Pandey, Sachin, Karra, Satish, and Vesselinov, Velimir. CHROTRAN, 1.0. Computer software. https://www.osti.gov//servlets/purl/1351891. Vers. 00. USDOE. 13 Apr. 2017. Web.
Hansen, Scott K., Pandey, Sachin, Karra, Satish, & Vesselinov, Velimir. (2017, April 13). CHROTRAN, 1.0 (Version 00) [Computer software]. https://www.osti.gov//servlets/purl/1351891.
Hansen, Scott K., Pandey, Sachin, Karra, Satish, and Vesselinov, Velimir. CHROTRAN, 1.0. Computer software. Version 00. April 13, 2017. https://www.osti.gov//servlets/purl/1351891.
@misc{osti_1351891,
title = {CHROTRAN, 1.0, Version 00},
author = {Hansen, Scott K. and Pandey, Sachin and Karra, Satish and Vesselinov, Velimir},
abstractNote = {CHROTRAN is a fork of the widely-used PFLOTRAN flow and reactive transport numerical simulation code. It implements custom physics and chemistry appropriate to the design of in-situ reduction of heavy metals such as Cr(VI) in groundwater. CHROTRAN includes full dynamics for five species: the metal to be remediated, an electron donor, biofilm, 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, and biofilm inactivation. The software implementation handles heterogeneous flow fields, arbitrarily many chemical species and amendment injection points, and features full coupling between flow and reactive transport, allowing for assessment of the effect of bio-fouling.},
url = {https://www.osti.gov//servlets/purl/1351891},
doi = {},
year = {Thu Apr 13 00:00:00 EDT 2017},
month = {Thu Apr 13 00:00:00 EDT 2017},
note =
}

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