Factors of 18O/16O fractionation in garnets: Evidence from calculations of isotope frequency shifts

被引：3
作者：
Krylov, D. P. [1 ]
Glebovitsky, V. A. [1 ,2 ]
机构：
[1] Russian Acad Sci, Inst Precambrian Geol & Geochronol, St Petersburg, Russia
[2] St Petersburg State Univ, Inst Earth Sci, St Petersburg, Russia
来源：
DOKLADY EARTH SCIENCES | 2017年 / 475卷 / 01期
基金：
俄罗斯基础研究基金会;
关键词：
AB-INITIO; OXYGEN; MINERALS; MEMBERS; WATER;
D O I：
10.1134/S1028334X17070236
中图分类号：
P [天文学、地球科学];
学科分类号：
07 ;
摘要：
Based on the density functional theory (DFT), frequency shifts of garnet end-members upon isotope substitutions (O-18/O-16, as well as "non-traditional" stable isotopes) were calculated. According to the calculations, the temperature dependencies of fractionation factors (beta-factors) suggested for garnets: 1000ln beta(prp) = 9.68511x-0.19204x (2) + 0.00567x (3); 1000ln beta(grs) = 9.14697x-0.15682x (2) + 0.00412x (3); 1000ln beta(adr) = 8.72470x-0.15092x (2) + 0.00402x (3); 1000ln beta(uvr) = 8.71526x-0.14749x (2) + 0.00385x (3); 1000ln beta(sps) = 9.33600x-0.17598x (2) + 0.00499x (3); 1000ln beta(alm) = 9.45295x-0.18465x (2) + 0.00539x (3), x = 10(6)/T (K)(2). The values obtained combined with with the known values of beta-factors may be applied in geothermometry of garnet-bearing rocks.
引用
收藏
页码：818 / 821
页数：4
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