TY - JOUR
T1 - Stable and radioactive carbon isotope partitioning in soils and saturated systems
T2 - a reactive transport modeling benchmark study
AU - Druhan, Jennifer L.
AU - Guillon, Sophie
AU - Lincker, Manon
AU - Arora, Bhavna
N1 - Funding Information:
This work was supported by the US Department of Energy, Subsurface Biogeochemical Research Award no. DE-SC0019198 to PI-Druhan.
Publisher Copyright:
© 2020, Springer Nature Switzerland AG.
PY - 2021/8
Y1 - 2021/8
N2 - 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.
AB - 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.
KW - Carbon isotopes
KW - Equilibrium fractionation
KW - Kinetic fractionation
KW - Radioactive decay
KW - Reactive transport
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U2 - 10.1007/s10596-020-09937-6
DO - 10.1007/s10596-020-09937-6
M3 - Article
AN - SCOPUS:85079686393
VL - 25
SP - 1393
EP - 1403
JO - Computational Geosciences
JF - Computational Geosciences
SN - 1420-0597
IS - 4
ER -