skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

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 Name: Computational Geosciences; 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. https://doi.org/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 = ,
volume = ,
place = {United States},
year = {2020},
month = {2}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Isotopic Fractionation by Transverse Dispersion: Flow-through Microcosms and Reactive Transport Modeling Study
journal, August 2010

  • Rolle, Massimo; Chiogna, Gabriele; Bauer, Robert
  • Environmental Science & Technology, Vol. 44, Issue 16
  • DOI: 10.1021/es101179f

Using Respiration Rates and Stable Carbon Isotopes to Monitor the Biodegradation of Orimulsion by Marine Benthic Bacteria
journal, June 1999

  • Lapham, Laura; Proctor, Lita; Chanton, Jeffrey
  • Environmental Science & Technology, Vol. 33, Issue 12
  • DOI: 10.1021/es981158a

Reactive transport codes for subsurface environmental simulation
journal, September 2014


U–Sr isotopic speedometer: Fluid flow and chemical weathering rates in aquifers
journal, September 2006

  • Maher, Kate; DePaolo, Donald J.; Christensen, John N.
  • Geochimica et Cosmochimica Acta, Vol. 70, Issue 17
  • DOI: 10.1016/j.gca.2006.06.1559

Transverse Hydrodynamic Dispersion Effects on Isotope Signals in Groundwater Chlorinated Solvents’ Plumes
journal, June 2012

  • Van Breukelen, Boris M.; Rolle, Massimo
  • Environmental Science & Technology, Vol. 46, Issue 14
  • DOI: 10.1021/es301058z

A large column analog experiment of stable isotope variations during reactive transport: I. A comprehensive model of sulfur cycling and δ34S fractionation
journal, January 2014

  • Druhan, Jennifer L.; Steefel, Carl I.; Conrad, Mark E.
  • Geochimica et Cosmochimica Acta, Vol. 124
  • DOI: 10.1016/j.gca.2013.08.037

A large column analog experiment of stable isotope variations during reactive transport: II. Carbon mass balance, microbial community structure and predation
journal, January 2014

  • Druhan, Jennifer L.; Bill, Markus; Lim, HsiaoChien
  • Geochimica et Cosmochimica Acta, Vol. 124
  • DOI: 10.1016/j.gca.2013.08.036

Isotopic insights into microbial sulfur cycling in oil reservoirs
journal, September 2014

  • Hubbard, Christopher G.; Cheng, Yiwei; Engelbrekston, Anna
  • Frontiers in Microbiology, Vol. 5
  • DOI: 10.3389/fmicb.2014.00480

Comparison of Electrostatic and Non-Electrostatic Models for U(VI) Sorption on Aquifer Sediments: B. Arora et al. Groundwater XX, no. X: XX-XX
journal, July 2017

  • Arora, Bhavna; Davis, James A.; Spycher, Nicolas F.
  • Groundwater, Vol. 56, Issue 1
  • DOI: 10.1111/gwat.12551

13C fractionation at the root–microorganisms–soil interface: A review and outlook for partitioning studies
journal, September 2010


A Model Linking Stable Isotope Fractionation to Water Flux and Transit Times in Heterogeneous Porous Media
journal, January 2014


34 S/ 32 S Fractionation during Sulfate Reduction in Groundwater Treatment Systems: Reactive Transport Modeling
journal, April 2011

  • Gibson, Blair D.; Amos, Richard T.; Blowes, David W.
  • Environmental Science & Technology, Vol. 45, Issue 7
  • DOI: 10.1021/es1038276

Expanding the role of reactive transport models in critical zone processes
journal, February 2017


Module-oriented modeling of reactive transport with HYTEC
journal, April 2003


Temporal change of 13C-isotope signatures and methanogenic pathways in rice field soil incubated anoxically at different temperatures
journal, January 2004


Numerical simulation of isotope fractionation in steady-state bioreactive transport controlled by transverse mixing
journal, October 2012


Benchmarking the simulation of Cr isotope fractionation
journal, August 2014

  • Wanner, Christoph; Druhan, Jennifer L.; Amos, Richard T.
  • Computational Geosciences, Vol. 19, Issue 3
  • DOI: 10.1007/s10596-014-9436-9

13C in atmospheric CO2
journal, August 1986


Modeling Chlorine Isotope Trends during Sequential Transformation of Chlorinated Ethenes
journal, September 2009

  • Hunkeler, Daniel; Van Breukelen, Boris M.; Elsner, Martin
  • Environmental Science & Technology, Vol. 43, Issue 17
  • DOI: 10.1021/es900579z

A model of isotope fractionation in reacting geochemical systems
journal, November 1996


An integrated sulfur isotope model for Namibian shelf sediments
journal, April 2009

  • Dale, Andrew W.; Brüchert, Volker; Alperin, Marc
  • Geochimica et Cosmochimica Acta, Vol. 73, Issue 7
  • DOI: 10.1016/j.gca.2008.12.015

Modeling Coupled Chemical and Isotopic Equilibration Rates
journal, January 2014


Timing the Onset of Sulfate Reduction over Multiple Subsurface Acetate Amendments by Measurement and Modeling of Sulfur Isotope Fractionation
journal, August 2012

  • Druhan, Jennifer L.; Steefel, Carl I.; Molins, Sergi
  • Environmental Science & Technology, Vol. 46, Issue 16
  • DOI: 10.1021/es302016p

The mineral dissolution rate conundrum: Insights from reactive transport modeling of U isotopes and pore fluid chemistry in marine sediments
journal, January 2006

  • Maher, Kate; Steefel, Carl I.; DePaolo, Donald J.
  • Geochimica et Cosmochimica Acta, Vol. 70, Issue 2
  • DOI: 10.1016/j.gca.2005.09.001

Radiocarbon and Soil Carbon Dynamics
journal, May 2009


Reactive Transport Modeling of Chromium Isotope Fractionation during Cr(VI) Reduction
journal, December 2012

  • Jamieson-Hanes, Julia H.; Amos, Richard T.; Blowes, David W.
  • Environmental Science & Technology, Vol. 46, Issue 24
  • DOI: 10.1021/es3046235

Calcium isotope fractionation in groundwater: Molecular scale processes influencing field scale behavior
journal, October 2013

  • Druhan, Jennifer L.; Steefel, Carl I.; Williams, Kenneth H.
  • Geochimica et Cosmochimica Acta, Vol. 119
  • DOI: 10.1016/j.gca.2013.05.022