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Isotope Fractionation and the Pressure Effect on 18O/16O in Kyanite-Sillimanite-Andalusite Polymorphs (Al2SiO5): Ab-Initio Modelling

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Abstract

The β-factor dependences on temperature upon 18O/16O substitution have been originally deduced in andalusite, sillimanite and kyanite accounting for pressure effect:

1000lnβand(18O/16O) = 10.66466x – 0.19330x2 + 0.00282x3 + P(0.12748x – 0.00289x2)

1000lnβsil(18O/16O) = 10.51480x – 0.17485x2 + 0.001406x3 + P(0.12124x – 0.00286x2)

1000lnβky(18O/16O) = 10.14019x – 0.07573x2 + 0.00550x3 + P(0.09907x – 0.00206x2),

x = 106/T2 (K)–2, P is pressure (GPa). The relations can be used in isotope geothermometry. Pressure produces an increase of the β-factors and consequently, δ18O\(_{{{\text{A}}{{{\text{l}}}_{{\text{2}}}}{\text{Si}}{{{\text{O}}}_{{\text{5}}}}}}\) up to ≈0.5‰ in conditions of the “cold” subduction (at extremely low dT/dP gradients).

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ACKNOWLEDGMENTS

The authors are indebted to V.B. Polyakov for valuable comments and suggestions while reviewing the manuscript. Computations were carried out using facilities of the Resource Center “Computer Center of SPbU” (http://cc.spbu.ru).

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Authors and Affiliations

  1. Institute of Precambrian Geology and Geochronology Russian Academy of Sciences, 199034, St. Petersburg, Russia

    D. P. Krylov,  A. B. Kuznetsov & A. A. Gavrilova

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  1. D. P. Krylov
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  2. A. B. Kuznetsov
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Correspondence to D. P. Krylov.

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The work was supported by the Russian Foundation for Basic Research, project nos. 19-05-00175 and NIR 0153-2019-0003.

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Krylov, D.P., Kuznetsov, A.B. & Gavrilova, A.A. Isotope Fractionation and the Pressure Effect on 18O/16O in Kyanite-Sillimanite-Andalusite Polymorphs (Al2SiO5): Ab-Initio Modelling. Dokl. Earth Sc. 491, 235–237 (2020). https://doi.org/10.1134/S1028334X20040091

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