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Title: Stable and radioactive carbon isotope partitioning in soils and saturated systems: a reactive transport modeling benchmark study

Abstract

© 2020, Springer Nature Switzerland AG. This benchmark provides the first rigorous test of a three-isotope system [12C, 13C, and 14C] subject to the combined effects of radioactive decay and both stable equilibrium and kinetic fractionation. We present a series of problems building in complexity based on the cycling of carbon in both organic and inorganic forms. The key components implement (1) equilibrium fractionation between multiple coexisting carbon species as a function of pH, (2) radioactive decay of radiocarbon with associated mass-dependent speciation demonstrating appropriate correction of the Δ14C value in agreement with reporting convention, and (3) kinetic stable isotope fractionation due to the oxidation of organic carbon to inorganic forms as a function of time and space in an open, through-flowing system. Participating RTM codes are CrunchTope, ToughReact, Hytec, and The Geochemist’s Workbench. Across all problem levels, simulation results from all RTMs demonstrate good agreement.

Authors:
ORCiD logo [1];  [2];  [2];  [3]
  1. Univ. of Illinois at Urbana-Champaign, IL (United States)
  2. PSL Univ., Fontainebeau (France)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Univ. of Illinois at Urbana-Champaign, IL (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER)
OSTI Identifier:
1603096
Alternate Identifier(s):
OSTI ID: 1631620
Grant/Contract Number:  
SC0019198; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Computational Geosciences
Additional Journal Information:
Journal Volume: 25; Journal Issue: 4; Journal ID: ISSN 1420-0597
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
58 GEOSCIENCES

Citation Formats

Druhan, Jennifer L., Guillon, Sophie, Lincker, Manon, and Arora, Bhavna. Stable and radioactive carbon isotope partitioning in soils and saturated systems: a reactive transport modeling benchmark study. United States: N. p., 2020. Web. doi:10.1007/s10596-020-09937-6.
Druhan, Jennifer L., Guillon, Sophie, Lincker, Manon, & Arora, Bhavna. Stable and radioactive carbon isotope partitioning in soils and saturated systems: a reactive transport modeling benchmark study. United States. https://doi.org/10.1007/s10596-020-09937-6
Druhan, Jennifer L., Guillon, Sophie, Lincker, Manon, and Arora, Bhavna. Wed . "Stable and radioactive carbon isotope partitioning in soils and saturated systems: a reactive transport modeling benchmark study". United States. https://doi.org/10.1007/s10596-020-09937-6. https://www.osti.gov/servlets/purl/1603096.
@article{osti_1603096,
title = {Stable and radioactive carbon isotope partitioning in soils and saturated systems: a reactive transport modeling benchmark study},
author = {Druhan, Jennifer L. and Guillon, Sophie and Lincker, Manon and Arora, Bhavna},
abstractNote = {© 2020, Springer Nature Switzerland AG. This benchmark provides the first rigorous test of a three-isotope system [12C, 13C, and 14C] subject to the combined effects of radioactive decay and both stable equilibrium and kinetic fractionation. We present a series of problems building in complexity based on the cycling of carbon in both organic and inorganic forms. The key components implement (1) equilibrium fractionation between multiple coexisting carbon species as a function of pH, (2) radioactive decay of radiocarbon with associated mass-dependent speciation demonstrating appropriate correction of the Δ14C value in agreement with reporting convention, and (3) kinetic stable isotope fractionation due to the oxidation of organic carbon to inorganic forms as a function of time and space in an open, through-flowing system. Participating RTM codes are CrunchTope, ToughReact, Hytec, and The Geochemist’s Workbench. Across all problem levels, simulation results from all RTMs demonstrate good agreement.},
doi = {10.1007/s10596-020-09937-6},
journal = {Computational Geosciences},
number = 4,
volume = 25,
place = {United States},
year = {Wed Feb 19 00:00:00 EST 2020},
month = {Wed Feb 19 00:00:00 EST 2020}
}

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