Equilibrium nickel isotope fractionation in nickel sulfide minerals

doi:10.1016/j.gca.2017.10.018

	Equilibrium nickel isotope fractionation in nickel sulfide minerals
	Liu, Shanqi 1; Li, Yongbing 2; Ju, Yiwen 2; Liu, Jie 1; Liu, Jianming 3; Shi, Yaolin 2
刊名	GEOCHIMICA ET COSMOCHIMICA ACTA
	2018-02-01
卷号	222 页码:1-16
关键词	Ni isotopes Equilibrium isotope fractionation Sulfides Density functional theory
ISSN号	0016-7037
DOI	10.1016/j.gca.2017.10.018
文献子类	Article
英文摘要	Nickel is an important element on Earth, and a major element in the Earth's core, and plays important roles in many geological and biological systems. As an important sink of Ni, Ni sulfides are closely concerned with Ni migration in magma systems and the genesis and evolution of magmatic sulfide deposits. Ni isotopes of Ni sulfides may be a powerful geochemical tracer in magmatic processes and evolution of magmatic sulfide deposits. However Ni isotope fractionation factors of sulfides remain poorly known, which makes the applications of Ni isotopes to geological problems associated with sulfides difficult. In this study, the first-principles methods are used to compute Ni isotope fractionation parameters of polydymite (Ni3S4), heazlewoodite (Ni3S2), millerite (NiS), godlevskite (Ni9S8) and vaesite (NiS2). The reduced partition function ratios of Ni-60/(58) Ni (10(3) ln beta(60-58)) for these minerals decrease in the order of polydymite > heazlewoodite > millerite > godlevskite > vaesite. Ni isotope fractionations in these Ni sulfides show an approximately linear dependence on the average Ni-S bond lengths, and have a significant negative correlation with the average Ni-Ni bond lengths. Furthermore, a change in Fe/Ni ratio can also lead to Ni isotope fractionation, and with substitution Fe for Ni, the reduced partition function ratios of Ni-60/(58) Ni decrease. (C) 2017 Elsevier Ltd. All rights reserved.
WOS关键词	DENSITY-FUNCTIONAL THEORY ; 1ST-PRINCIPLES CALCULATIONS ; S-ISOTOPE ; MANTLE XENOLITHS ; SILICATE MELT ; FERROMANGANESE CRUSTS ; ELECTRONIC-STRUCTURE ; CHEMICAL-COMPOSITION ; MAGMATIC SULFIDES ; THERMAL-EXPANSION
WOS研究方向	Geochemistry & Geophysics
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000424972200001
资助机构	National Natural Science Foundation of China(41604071 ; National Natural Science Foundation of China(41604071 ; University of Chinese Academy of Sciences and Institutes(Y552013Y00) ; University of Chinese Academy of Sciences and Institutes(Y552013Y00) ; 41530315) ; 41530315) ; National Natural Science Foundation of China(41604071 ; National Natural Science Foundation of China(41604071 ; University of Chinese Academy of Sciences and Institutes(Y552013Y00) ; University of Chinese Academy of Sciences and Institutes(Y552013Y00) ; 41530315) ; 41530315) ; National Natural Science Foundation of China(41604071 ; National Natural Science Foundation of China(41604071 ; University of Chinese Academy of Sciences and Institutes(Y552013Y00) ; University of Chinese Academy of Sciences and Institutes(Y552013Y00) ; 41530315) ; 41530315) ; National Natural Science Foundation of China(41604071 ; National Natural Science Foundation of China(41604071 ; University of Chinese Academy of Sciences and Institutes(Y552013Y00) ; University of Chinese Academy of Sciences and Institutes(Y552013Y00) ; 41530315) ; 41530315)
内容类型	期刊论文
源URL	[http://ir.iggcas.ac.cn/handle/132A11/82840]
专题	中国科学院地质与地球物理研究所
通讯作者	Li, Yongbing
作者单位	1.Sun Yat Sen Univ, Sch Earth Sci & Engn, Guangzhou 510275, Guangdong, Peoples R China 2.Univ Chinese Acad Sci, Key Lab Computat Geodynam, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Inst Geol & Geophys, Key Lab Mineral Resources, Beijing 100029, Peoples R China
推荐引用方式 GB/T 7714	Liu, Shanqi,Li, Yongbing,Ju, Yiwen,et al. Equilibrium nickel isotope fractionation in nickel sulfide minerals[J]. GEOCHIMICA ET COSMOCHIMICA ACTA,2018,222:1-16.
APA	Liu, Shanqi,Li, Yongbing,Ju, Yiwen,Liu, Jie,Liu, Jianming,&Shi, Yaolin.(2018).Equilibrium nickel isotope fractionation in nickel sulfide minerals.GEOCHIMICA ET COSMOCHIMICA ACTA,222,1-16.
MLA	Liu, Shanqi,et al."Equilibrium nickel isotope fractionation in nickel sulfide minerals".GEOCHIMICA ET COSMOCHIMICA ACTA 222(2018):1-16.