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Isotope Fractionation in TiO2 Polymorphs (Rutile, Anatase, Brookite) Estimated from “First Principles”. / Krylov, D. P.; Kuznetsov, A. B.

In: Doklady Earth Sciences, Vol. 489, No. 1, 01.11.2019, p. 1294-1296.

Research output: Contribution to journal › Article › peer-review

Harvard

Krylov, DP & Kuznetsov, AB 2019, 'Isotope Fractionation in TiO2 Polymorphs (Rutile, Anatase, Brookite) Estimated from “First Principles”', Doklady Earth Sciences, vol. 489, no. 1, pp. 1294-1296. https://doi.org/10.1134/S1028334X19110047

APA

Krylov, D. P., & Kuznetsov, A. B. (2019). Isotope Fractionation in TiO2 Polymorphs (Rutile, Anatase, Brookite) Estimated from “First Principles”. Doklady Earth Sciences, 489(1), 1294-1296. https://doi.org/10.1134/S1028334X19110047

Vancouver

Krylov DP, Kuznetsov AB. Isotope Fractionation in TiO2 Polymorphs (Rutile, Anatase, Brookite) Estimated from “First Principles”. Doklady Earth Sciences. 2019 Nov 1;489(1):1294-1296. https://doi.org/10.1134/S1028334X19110047

Author

Krylov, D. P. ; Kuznetsov, A. B. / Isotope Fractionation in TiO2 Polymorphs (Rutile, Anatase, Brookite) Estimated from “First Principles”. In: Doklady Earth Sciences. 2019 ; Vol. 489, No. 1. pp. 1294-1296.

BibTeX

@article{b5fc40ddcb814cd098b5d5f81bdf74b5,
title = "Isotope Fractionation in TiO2 Polymorphs (Rutile, Anatase, Brookite) Estimated from “First Principles”",
abstract = "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.",
author = "Krylov, {D. P.} and Kuznetsov, {A. B.}",
note = "Publisher Copyright: {\textcopyright} 2019, Pleiades Publishing, Ltd. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.",
year = "2019",
month = nov,
day = "1",
doi = "10.1134/S1028334X19110047",
language = "English",
volume = "489",
pages = "1294--1296",
journal = "Doklady Earth Sciences",
issn = "1028-334X",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "1",

}

RIS

TY - JOUR

T1 - Isotope Fractionation in TiO2 Polymorphs (Rutile, Anatase, Brookite) Estimated from “First Principles”

AU - Krylov, D. P.

AU - Kuznetsov, A. B.

N1 - Publisher Copyright: © 2019, Pleiades Publishing, Ltd. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.

PY - 2019/11/1

Y1 - 2019/11/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85076982432&partnerID=8YFLogxK

U2 - 10.1134/S1028334X19110047

DO - 10.1134/S1028334X19110047

M3 - Article

AN - SCOPUS:85076982432

VL - 489

SP - 1294

EP - 1296

JO - Doklady Earth Sciences

JF - Doklady Earth Sciences

SN - 1028-334X

IS - 1

ER -

ID: 75950229