Hydrogen Isotope Fractionation in the Talc-Serpentine-Brucite-Water System: Theoretical Studies and Implications

Experimental data for hydrogen isotope and in general for stable isotope fractionation between mineral and water often tend to be widely divergent primarily because of solution and re-precipitation of finely ground mineral grains in the experimental charges. With the objective of development of theoretical methodology for calculation of stable isotope fractionation that may be suitably integrated with experimental data to produce better constraints on the fractionation behavior, we have calculated hydrogen isotope fractionation in the epidote-water and epidote-hydrogen systems for which reliable experimental are available. The calculations were carried out using a combination of classical and statistical thermodynamics and quantum chemical methods. The calculated fractionation factors vs. temperature in both systems have been found to be in very good agreement with the experimental data and provide a theoretical framework for extrapolation of experimental data as function of temperature.

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Work Title Hydrogen Isotope Fractionation in the Talc-Serpentine-Brucite-Water System: Theoretical Studies and Implications
Access
Open Access
Creators
  1. Abu Asaduzzaman
  2. Jibamitra Ganguly
License In Copyright (Rights Reserved)
Work Type Article
Publisher
  1. ACS Earth and Space Chemistry
Publication Date March 22, 2021
Publisher Identifier (DOI)
  1. https://doi.org/10.1021/acsearthspacechem.1c00003
Deposited November 17, 2021

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