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

 
PIIS086956520002926-1-1
DOI10.31857/S086956520002926-1
Publication type Article
Status Published
Authors
Occupation: Senior Research Fellow
Affiliation: Institute of Precambrian Geology and Geochronology, RAS
Address: Russian Federation, Saint-Petersburg
Affiliation: Institute of Precambrian Geology and Geochronology, RAS
Address: Russian Federation, Saint-Petersburg
Occupation: Research Fellow
Affiliation: Institute of Precambrian Geology and Geochronology, RAS
Address: Russian Federation, Saint-Petersburg
Journal nameDoklady Akademii nauk
EditionVolume 482 Issue 6
Pages698-700
Abstract

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.

Keywords
Received06.12.2018
Publication date13.12.2018
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