Calculation of Stable Isotope (O, C, Cа) Fractionation Factors for Apatite

Isotope fractionation β-factors has been determined for hydroxyapatite, fluorapatite, and carbon-apatite upon 18O/16O, 13C/12C, 44Ca/40Ca substitutions depending on temperature. Calculations were performed based on density functional theory (DFT). The results are expressed in terms of the cubic polynomials against x=106/T(K)2, and can be utilized as geothermometers if combined with β-factors of coexisting phases. The new values of β-factors completely supersedes the conventional semi-empirical (estimated by the method of increments) calibrations of isotopic equilibria involving apatite.

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06.12.2018

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13.12.2018

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GOST	Krylov D., Kuznetsov A., Akimova E. Calculation of Stable Isotope (O, C, Cа) Fractionation Factors for Apatite // Doklady Akademii nauk – 2018. – V. 482. – Issue 6 C. 698-700 [Electronic resource]. URL: http://ras.jes.su/dan/s086956520002926-1-1-en (circulation date: 29.04.2024). DOI: 10.31857/S086956520002926-1
MLA	Krylov, Dmitry, Kuznetsov, Anton, Akimova, Ekaterina "Calculation of Stable Isotope (O, C, Cа) Fractionation Factors for Apatite." Doklady Akademii nauk 482.6 (2018):698-700. DOI: 10.31857/S086956520002926-1
APA	Krylov D., Kuznetsov A., Akimova E. (2018). Calculation of Stable Isotope (O, C, Cа) Fractionation Factors for Apatite. Doklady Akademii nauk 482(6), pp.698-700 DOI: 10.31857/S086956520002926-1

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