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

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