IGGCAS OpenIR  > 矿产资源研究院重点实验室
Equilibrium fractionation of S, Fe, and Ni isotopes in Fe-Ni sulfides: A first-principles investigation
Liu, Shanqi1,6; Li, Yongbing2; Li, Menghan3; Yang, Zhiming4; Liu, Jianming5; Shen, Yanan3
2022-11-05
Source PublicationCHEMICAL GEOLOGY
ISSN0009-2541
Volume610Pages:14
AbstractFe, 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.
KeywordFirst -principles calculation Fe-Ni sulfides S isotope fractionation Fe isotope fractionation Ni isotope fractionation
DOI10.1016/j.chemgeo.2022.121100
Funding OrganizationFundamental 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)
WOS KeywordMASS-INDEPENDENT SULFUR ; MICROBIAL SULFATE REDUCTION ; MOSSBAUER-SPECTROSCOPY ; AB-INITIO ; CRYSTAL-CHEMISTRY ; IRON ; PYRITE ; MINERALS ; METAL ; CONSTRAINTS
Language英语
Funding ProjectFundamental 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]
Funding OrganizationFundamental 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)
WOS Research AreaGeochemistry & Geophysics
WOS SubjectGeochemistry & Geophysics
WOS IDWOS:000860018700002
PublisherELSEVIER
Citation statistics
Document Type期刊论文
Identifierhttp://ir.iggcas.ac.cn/handle/132A11/108345
Collection矿产资源研究院重点实验室
Corresponding AuthorLi, Yongbing
Affiliation1.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
Recommended Citation
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.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Liu, Shanqi]'s Articles
[Li, Yongbing]'s Articles
[Li, Menghan]'s Articles
Baidu academic
Similar articles in Baidu academic
[Liu, Shanqi]'s Articles
[Li, Yongbing]'s Articles
[Li, Menghan]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Liu, Shanqi]'s Articles
[Li, Yongbing]'s Articles
[Li, Menghan]'s Articles
Terms of Use
No data!
Social Bookmark/Share
Add to CiteULike Add to Connotea Add to Del.icio.us Add to Digg Add to Reddit Add to Technorati
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.