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Equilibrium Cu isotope fractionation in copper minerals: a first-principles study

文献类型：期刊论文

作者Liu, Shanqi1,2; Li, Yongbing5; Liu, Jie1,2; Yang, Zhiming4; Liu, Jianming3; Shi, Yaolin5
刊名CHEMICAL GEOLOGY
出版日期2021-03-20
卷号564页码:12
ISSN号0009-2541
关键词Cu isotope fractionation First-principles calculation Copper minerals Copper sulfides Porphyry deposit
DOI10.1016/j.chemgeo.2021.120060
英文摘要Copper is of importance in geosciences, biosciences, and industry. Its isotopes can be used to study planetary processes, trace Cu biogeochemical cycling, identify the type of Cu-bearing ore minerals, investigate the formation of ore deposits, and explore concealed ore-bodies. However, Cu isotope fractionation parameters of the majority of copper minerals remain poorly known, impeding the application of Cu isotopes as a geochemical tracer. In this study, the first-principles methods are used to compute Cu isotope fractionation parameters of chalcocite (Cu2S), covellite (CuS), villamaninite (CuS2), chalcopyrite (CuFeS2), cubanite (CuFe2S3), bornite (Cu5FeS4), cuprite (Cu2O), malachite (Cu-2(CO3)(OH)(2)), azurite (Cu-3(CO3)(2)(OH)(2)), antlerite (Cu-3(SO4(OH)(4)), brochantite (Cu-4(SO4)(OH)(6)), liebauite (Ca3Cu5Si9O26), Cu-bearing enstatite (Mg31/16Cu1/16Si2O6), and native copper (Cu). The reduced partition function ratio of Cu-65/Cu-63 (10(3) ln beta(65)(-)(63)) decreases in the order of Cu silicates > Cu carbonates > Cu sulfates > Cu oxide > native Cu > Cu sulfides. The 10(3 )In beta(65)(-)(63) values of these minerals display a weak correlation with oxidation state and Cu coordination number, while display a strong correlation with the average Cu-S bond lengths in Cu sulfides and the average Cu-O bond lengths in Cu oxysalt minerals with the same Cu coordination number. For Cu2S and Cu5FeS4 polymorphs, the extent of Cu isotope fractionation arising from polymorphic transformations is different. Our calculated results are useful for understanding the enrichment of Cu isotopes in nature. Cu isotope fractionation between sulfides and silicates may be a potential geothermometer.
资助项目Guangdong Basic and Applied Basic Research Foundation[2020A1515011441]
WOS研究方向Geochemistry & Geophysics
语种英语
出版者ELSEVIER
WOS记录号WOS:000623316000008
资助机构Guangdong Basic and Applied Basic Research Foundation ; Guangdong Basic and Applied Basic Research Foundation ; Guangdong Basic and Applied Basic Research Foundation ; Guangdong Basic and Applied Basic Research Foundation ; Guangdong Basic and Applied Basic Research Foundation ; Guangdong Basic and Applied Basic Research Foundation ; Guangdong Basic and Applied Basic Research Foundation ; Guangdong Basic and Applied Basic Research Foundation
源URL[http://ir.iggcas.ac.cn/handle/132A11/101011]  
专题地质与地球物理研究所_中国科学院矿产资源研究重点实验室
通讯作者Li, Yongbing
作者单位1.Southern Marine Sci & Engn Guangdong Lab Zhuhai, Zhuhai 519080, Peoples R China
2.Sun Yat Sen Univ, Sch Earth Sci & Engn, Guangzhou 510275, Peoples R China
3.Chinese Acad Sci, Inst Geol & Geophys, Key Lab Mineral Resources, Beijing 100029, Peoples R China
4.Chinese Acad Geol Sci, Inst Geol, Beijing 100037, Peoples R China
5.Univ Chinese Acad Sci, Key Lab Computat Geodynam, Beijing 100049, Peoples R China
推荐引用方式
GB/T 7714		 Liu, Shanqi,Li, Yongbing,Liu, Jie,et al. Equilibrium Cu isotope fractionation in copper minerals: a first-principles study[J]. CHEMICAL GEOLOGY,2021,564:12.
APA Liu, Shanqi,Li, Yongbing,Liu, Jie,Yang, Zhiming,Liu, Jianming,&Shi, Yaolin.(2021).Equilibrium Cu isotope fractionation in copper minerals: a first-principles study.CHEMICAL GEOLOGY,564,12.
MLA Liu, Shanqi,et al."Equilibrium Cu isotope fractionation in copper minerals: a first-principles study".CHEMICAL GEOLOGY 564(2021):12.

入库方式： OAI收割

来源：地质与地球物理研究所

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