Published August 6, 2019 | Version v1
Software Restricted

IsoDIC: An Isotope-Enabled Numerical Model of Dissolved Inorganic Carbon

Creators

  • 1. Woods Hole Oceanographic Institution

Description

IsoDIC is a fully isotope-enabled model of the DIC-H2O-CO2 system that quantitatively simulates the evolution of solution carbonate chemistry and stable isotope composition, including carbon isotope (d13C), oxygen isotope (d18O), triple oxygen isotope (D'17O) and clumped isotope composition (D47, D48 and D49), of DIC (Dissolved Inorganic Carbon) in an aqueous solution during three isotope fractionation processes that are common to most carbonate formations in the lab and in the nature: (1) DIC-H2O isotope exchange; (2) CO2 degassing, and (3) CO2 absorption.

License: Creative Commons Attribution-NonCommercial-No Derivatives 4.0 International (CC BY-NC-ND 4.0)

Please cite the following references when using the IsoDIC code:

Guo, W. (2020) Kinetic clumped isotope fractionation in the DIC-H2O-CO2 system: Patterns, controls, and implications, Geochimica et Cosmochimica Acta, 268, 230-257.

Guo, W., Zhou, C. (2019) Triple oxygen isotope fractionation in the DIC-H2O-CO2 system: A numerical framework and its implications, Geochimica et Cosmochimica Acta, 246, 541-564.

Guo, W. (2019) IsoDIC: An Isotope-Enabled Numerical Model of Dissolved Inorganic Carbon, http://doi.org/10.5281/zenodo.3333821

This work was supported by the U.S. National Science Foundation [NSF-EAR-1530253], the American Chemical Society Petroleum Research Fund, the Andrew W. Mellon Foundation Endowed Fund For Innovative Research and the Investment in Science Fund at Woods Hole Oceanographic Institution.

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The IsoDIC app is currently available to academic researchers under the Creative Commons Attribution-NonCommercial-No Derivatives 4.0 International (CC BY-NC-ND 4.0) license. By requesting access to this app, you agree to comply with the terms specified in this license (https://creativecommons.org/licenses/by-nc-nd/4.0/).

Academic researchers can access the model code for a reasoned, research-related purpose.

Email addresses provided will be used to distribute future updates and/or fixes of the model code.

 

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Additional details

Funding

Carbonate Formation Induced by CO2 Degassing: Controls on the Isotopic Compositions and Implications for Clumped Isotope Thermometry 1530253
U.S. National Science Foundation

References

  • Guo, W. (2020) Kinetic clumped isotope fractionation in the DIC-H2O-CO2 system: Patterns, controls, and implications, Geochimica et Cosmochimica Acta, 268, 230-257.
  • Guo, W., Zhou, C. (2019) Triple oxygen isotope fractionation in the DIC-H2O-CO2 system: A numerical framework and its implications, Geochimica et Cosmochimica Acta, 246, 541-564.
  • Guo, W. (2019) IsoDIC: An Isotope-Enabled Numerical Model of Dissolved Inorganic Carbon, http://doi.org/10.5281/zenodo.3333821