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Theoretical calculation of equilibrium Mg isotope fractionation between silicate melt and its vapor
Haiyang Luo;  Huiming Bao;  Yuhong Yang;  Yun Liu
2019
发表期刊Acta Geochim
页码1-8
摘要

Isotope fractionation during the evaporation of silicate melt and condensation of vapor has been widely used to explain various isotope signals observed in lunar soils, cosmic spherules, calcium–aluminum-rich inclusions, and bulk compositions of planetary materials. During evaporation and condensation, the equilibrium isotope fractionation factor (a) between high-temperature silicate melt and vapor is a fundamental parameter that can constrain the melt’s isotopic compositions. However, equilibrium a is difficult to calibrate experimentally. Here we used Mg as an example and calculated equilibrium Mg isotope fractionation in MgSiO3 and Mg2SiO4 melt–vapor systems based on first-principles molecular dynamics and the hightemperature approximation of the Bigeleisen–Mayer equation. We found that, at 2500 K, d25Mg values in the MgSiO3 and Mg2SiO4 melts were 0.141 ± 0.004 and 0.143 ± 0.003% more positive than in their respective vapors. The corresponding d26Mg values were 0.270 ± 0.008 and 0.274 ± 0.006% more positive than in vapors, respectively. The general a T equations describing the equilibrium Mg a in MgSiO3 and Mg2SiO4 melt–vapor systems were: aMg lð ÞMg gð Þ ¼ 1 þ 5:264105 T2 1 m 1 m0 and aMg lð ÞMg gð Þ ¼ 1 þ 5:340105 T2 1 m 1 m0 , respectively, where m is the mass of light isotope 24Mg and m0 is the mass of the heavier isotope, 25Mg or 26Mg. These results offer a necessary parameter for mechanistic understanding of Mg isotope fractionation during evaporation and condensation that commonly occurs during the early stages of planetary formation and evolution.

关键词Equilibrium Mg Isotope Fractionation force Constant structural Optimization rpfr
收录类别EI
语种英语
文献类型期刊论文
条目标识符http://ir.gyig.ac.cn/handle/42920512-1/10608
专题矿床地球化学国家重点实验室
作者单位1.State Key Laboratory of Ore Deposit Geochemistry, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550081, China
2.University of Chinese Academy of Sciences, Beijing 100049, China
3.Department of Geology and Geophysics, Louisiana State University, Baton Rouge, LA 70803, USA
4.Center for Lunar and Planetary Sciences, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550081, China
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Haiyang Luo;Huiming Bao;Yuhong Yang;Yun Liu. Theoretical calculation of equilibrium Mg isotope fractionation between silicate melt and its vapor[J]. Acta Geochim,2019:1-8.
APA Haiyang Luo;Huiming Bao;Yuhong Yang;Yun Liu.(2019).Theoretical calculation of equilibrium Mg isotope fractionation between silicate melt and its vapor.Acta Geochim,1-8.
MLA Haiyang Luo;Huiming Bao;Yuhong Yang;Yun Liu."Theoretical calculation of equilibrium Mg isotope fractionation between silicate melt and its vapor".Acta Geochim (2019):1-8.
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