Research output: Contribution to journal › Article › peer-review
Calculation of Stable Isotope (O, C, Ca) Fractionation Factors for Apatite. / Krylov, D. P.; Kuznetsov, A. B.; Akimova, E. Yu.
In: Doklady Earth Sciences, Vol. 482, No. 2, 01.10.2018, p. 1354-1356.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Calculation of Stable Isotope (O, C, Ca) Fractionation Factors for Apatite
AU - Krylov, D. P.
AU - Kuznetsov, A. B.
AU - Akimova, E. Yu
PY - 2018/10/1
Y1 - 2018/10/1
N2 - The isotope fractionation β-factors have been determined for hydroxyapatite, fluorapatite, and carbon–apatite upon 18O/16O, 13C/12C, and 44Ca/40Ca substitutions depending on the temperature. Calculations were performed based on density functional theory (DFT). The results are expressed in terms of cubic polynomials against x = 106/T(K)2 and can be utilized as geothermometers if combined with β-factors of the coexisting phases. The new values of β-factors completely supersede the conventional semi-empirical (estimated by the method of increments) calibrations of isotopic equilibria involving apatite.
AB - The isotope fractionation β-factors have been determined for hydroxyapatite, fluorapatite, and carbon–apatite upon 18O/16O, 13C/12C, and 44Ca/40Ca substitutions depending on the temperature. Calculations were performed based on density functional theory (DFT). The results are expressed in terms of cubic polynomials against x = 106/T(K)2 and can be utilized as geothermometers if combined with β-factors of the coexisting phases. The new values of β-factors completely supersede the conventional semi-empirical (estimated by the method of increments) calibrations of isotopic equilibria involving apatite.
UR - http://www.scopus.com/inward/record.url?scp=85056318348&partnerID=8YFLogxK
U2 - 10.1134/S1028334X18100240
DO - 10.1134/S1028334X18100240
M3 - Article
AN - SCOPUS:85056318348
VL - 482
SP - 1354
EP - 1356
JO - Doklady Earth Sciences
JF - Doklady Earth Sciences
SN - 1028-334X
IS - 2
ER -
ID: 51217480