Equilibrium fractionation of S, Fe, and Ni isotopes in Fe-Ni sulfides: A first-principles investigation
文献类型：期刊论文
| 作者 | Liu, Shanqi1,6; Li, Yongbing2; Li, Menghan3; Yang, Zhiming4; Liu, Jianming5; Shen, Yanan3 |
| 刊名 | CHEMICAL GEOLOGY
 |
| 出版日期 | 2022-11-05 |
| 卷号 | 610页码:14 |
| ISSN号 | 0009-2541 |
| 关键词 | First -principles calculation Fe-Ni sulfides S isotope fractionation Fe isotope fractionation Ni isotope fractionation |
| DOI | 10.1016/j.chemgeo.2022.121100 |
| 英文摘要 | Fe, Ni, and S isotopes are important chemical tracers, and they complement each other to improve our under-standing of the Earth's evolution. As common accessory minerals in the Earth's interior and the most important group of ore minerals, sulfide minerals display a wide range of Fe and Ni contents. Using first-principles methods, we investigated the equilibrium fractionation factors of Fe, Ni, and S isotopes of the beta-(Ni, Fe)S, FeS2-NiS2, and Fe3S4-Ni3S4 solid solutions, to constrain the effect of cation contents on Fe, Ni, and S isotopic signatures. For the beta-(Ni, Fe)S solid solution, the iron beta-factors, nickel beta -factors, and sulfur beta -factors all decrease approximately linearly with the increasing Fe content. For the FeS2-NiS2 solid solution, the iron beta -factors, nickel beta -factors, and sulfur beta -factors show a positive linear relationship with the Fe content. For the Fe3S4-Ni(3)S4 solid solution, the iron beta -factors and nickel beta -factors have a strong negative correlation with the Fe content, while the sulfur beta -factors have a weak negative correlation with the Fe content. In general, the trend of variation of the beta -factors with Fe content is the opposite to that of the average bond lengths with the Fe content. Our results provide an improved understanding of Fe, Ni, and S isotopic fractionation in natural systems that may be used to better constrain physical, chemical, and geo-biological evolution on Earth. |
| WOS关键词 | MASS-INDEPENDENT SULFUR ; MICROBIAL SULFATE REDUCTION ; MOSSBAUER-SPECTROSCOPY ; AB-INITIO ; CRYSTAL-CHEMISTRY ; IRON ; PYRITE ; MINERALS ; METAL ; CONSTRAINTS |
| 资助项目 | Fundamental Research Funds for the Central Universities[E1E40406] ; Sun Yat-sen[41721002] ; National Natural Science Foundation of China[41721002] ; National Natural Science Foundation of China[41890842] ; National Natural Science Foundation of China[42103074] ; Fundamental Research Funds for the Central Universities (Sun Yat-sen University)[22qntd2101] |
| WOS研究方向 | Geochemistry & Geophysics |
| 语种 | 英语 |
| 出版者 | ELSEVIER |
| WOS记录号 | WOS:000860018700002 |
| 资助机构 | Fundamental Research Funds for the Central Universities ; Fundamental Research Funds for the Central Universities ; Sun Yat-sen ; Sun Yat-sen ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities (Sun Yat-sen University) ; Fundamental Research Funds for the Central Universities (Sun Yat-sen University) ; Fundamental Research Funds for the Central Universities ; Fundamental Research Funds for the Central Universities ; Sun Yat-sen ; Sun Yat-sen ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities (Sun Yat-sen University) ; Fundamental Research Funds for the Central Universities (Sun Yat-sen University) ; Fundamental Research Funds for the Central Universities ; Fundamental Research Funds for the Central Universities ; Sun Yat-sen ; Sun Yat-sen ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities (Sun Yat-sen University) ; Fundamental Research Funds for the Central Universities (Sun Yat-sen University) ; Fundamental Research Funds for the Central Universities ; Fundamental Research Funds for the Central Universities ; Sun Yat-sen ; Sun Yat-sen ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities (Sun Yat-sen University) ; Fundamental Research Funds for the Central Universities (Sun Yat-sen University) |
| 源URL | [http://ir.iggcas.ac.cn/handle/132A11/108345]  |
| 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.Sun Yat Sen Univ, Sch Earth Sci & Engn, Guangzhou 510275, Peoples R China 2.Univ Chinese Acad Sci, Key Lab Computat Geodynam, Beijing 100049, Peoples R China 3.Univ Sci & Technol China, Sch Earth & Space Sci, Hefei 230026, Peoples R China 4.Chinese Acad Geol Sci, Inst Geol, Beijing 100037, Peoples R China 5.Chinese Acad Sci, Inst Geol & Geophys, Key Lab Mineral Resources, Beijing 100029, Peoples R China 6.Southern Marine Sci & Engn Guangdong Lab Zhuhai, Zhuhai 519080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Shanqi,Li, Yongbing,Li, Menghan,et al. Equilibrium fractionation of S, Fe, and Ni isotopes in Fe-Ni sulfides: A first-principles investigation[J]. CHEMICAL GEOLOGY,2022,610:14. |
| APA | Liu, Shanqi,Li, Yongbing,Li, Menghan,Yang, Zhiming,Liu, Jianming,&Shen, Yanan.(2022).Equilibrium fractionation of S, Fe, and Ni isotopes in Fe-Ni sulfides: A first-principles investigation.CHEMICAL GEOLOGY,610,14. |
| MLA | Liu, Shanqi,et al."Equilibrium fractionation of S, Fe, and Ni isotopes in Fe-Ni sulfides: A first-principles investigation".CHEMICAL GEOLOGY 610(2022):14. |
入库方式： OAI收割
来源：地质与地球物理研究所
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