Factors of 18O/16O fractionation in garnets: Evidence from calculations of isotope frequency shifts
| Autor: | D. P. Krylov, V. A. Glebovitsky |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Isotope
Chemistry Stable isotope ratio Radiochemistry Analytical chemistry Fractionation 010402 general chemistry 010502 geochemistry & geophysics 01 natural sciences 0104 chemical sciences Earth and Planetary Sciences (miscellaneous) General Earth and Planetary Sciences Density functional theory 0105 earth and related environmental sciences |
| Zdroj: | Doklady Earth Sciences. 475:818-821 |
| ISSN: | 1531-8354 1028-334X |
| DOI: | 10.1134/s1028334x17070236 |
| Popis: | Based on the density functional theory (DFT), frequency shifts of garnet end-members upon isotope substitutions (18O/16O, as well as “non-traditional” stable isotopes) were calculated. According to the calculations, the temperature dependencies of fractionation factors (β-factors) suggested for garnets: 1000lnβprp = 9.68511x–0.19204x 2 + 0.00567x 3; 1000lnβgrs = 9.14697x–0.15682x 2 + 0.00412x 3; 1000lnβadr = 8.72470x–0.15092x 2 + 0.00402x 3; 1000lnβuvr = 8.71526x–0.14749x 2 + 0.00385x 3; 1000lnβsps = 9.33600x–0.17598x 2 + 0.00499x 3; 1000lnβalm = 9.45295x–0.18465x 2 + 0.00539x 3, x = 106/T (K)2. The values obtained combined with with the known values of β-factors may be applied in geothermometry of garnet-bearing rocks. |
| Databáze: | OpenAIRE |
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