Email this article Isotope Fractionation in TiO2 Polymorphs (Rutile, Anatase, Brookite) Estimated from “First Principles”
- Authors: Krylov D.P.1, Kuznetsov A.B.1
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Affiliations:
- Institute of Precambrian Geology and Geochronology, Russian Academy of Sciences
- Issue: Vol 489, No 1 (2019)
- Pages: 1294-1296
- Section: Geochemistry
- URL: https://ogarev-online.ru/1028-334X/article/view/195584
- DOI: https://doi.org/10.1134/S1028334X19110047
- ID: 195584
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Abstract
Temperature relations of β-factors for 18O/16O fractionations in TiO2 polymorphs have been determined using the density functional theory:
1000 ln βrt(18O/16O) = 6.93039x – 0.08158x2 + 0.00116x3 + 0.08305*P
1000 ln βant(18O/16O) = 7.34275x – 0.09906x2 + 0.00153x3 + 0.08027*P
1000 ln βbrk(18O/16O) = 7.19088x – 0.09157x2 + 0.00139x3 + 0.07601*P,
x = 106/T(K)2, P is pressure (GPa). The deduced relations can be applied for isotope thermometry if combined with β-factors of coexisting phases.
About the authors
D. P. Krylov
Institute of Precambrian Geology and Geochronology, Russian Academy of Sciences
Author for correspondence.
Email: dkrylov@dk1899.spb.edu
Russian Federation, St. Petersburg, 199034
A. B. Kuznetsov
Institute of Precambrian Geology and Geochronology, Russian Academy of Sciences
Email: dkrylov@dk1899.spb.edu
Russian Federation, St. Petersburg, 199034
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