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Application of Gaussian multi-peak fitting to radial distribution function
Feng Wang-Sheng1,3; Fang Yan1; Xu Ji-Xiang1,3; Fang Chun-Hui1; Jia Quan-Jie2; Wang Huan-Hua2; Jiang Xiao-Ming2
2008-03-01
发表期刊ACTA PHYSICO-CHIMICA SINICA
卷号24期号:3页码:497-501
文章类型Article
摘要Aqueous structures with salt to water molar ratios of 1:30 (Rb2SO4) and 1:14 (Cs2SO4) were measured by X-ray scattering of synchrotron radiation. The radial distribution functions (RDF) of the two example solutions were obtained by analyzing the scattering data. RDF overlapped peaks near the first hydration shell were dealt with Gaussian multi-peak fitting. The fitting data were agreed well with the experimental data. The adscription of every fitting peak was determined by comparing the fitting data with hydrated ion and crystal structure data reported in literatures. The analysis of fitting result indicates that the coordination number of Rb+ and Cs+ is six in the first hydration shell, and the spatial structures are both distorted octahedrons. The contact ion pairs of metal ions with sulphate ion exist in two solutions where the characteristic distances of Rb-S and Cs-S were determined to be 0.407 and 0.427 nm, respectively. The study demonstrated that multi-peak fitting was useful for interpreting the hydrated structure of ions.
关键词Synchrotron Radiation X-ray Scattering Radial Distribution Function Multi-peak Fitting Hydrated Structure
WOS标题词Science & Technology ; Physical Sciences
关键词[WOS]X-RAY-SCATTERING ; AQUEOUS-SOLUTIONS ; M-II ; WATER ; DYNAMICS ; ZN ; MN ; CS
收录类别SCI
语种英语
WOS研究方向Chemistry
WOS类目Chemistry, Physical
WOS记录号WOS:000254353000026
引用统计
被引频次:5[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.isl.ac.cn/handle/363002/5830
专题青海盐湖研究所知识仓储
作者单位1.Chinese Acad Sci, Qinghai Inst Salt Lakes, Xining 810008, Peoples R China
2.Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China
3.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China
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Feng Wang-Sheng,Fang Yan,Xu Ji-Xiang,et al. Application of Gaussian multi-peak fitting to radial distribution function[J]. ACTA PHYSICO-CHIMICA SINICA,2008,24(3):497-501.
APA Feng Wang-Sheng.,Fang Yan.,Xu Ji-Xiang.,Fang Chun-Hui.,Jia Quan-Jie.,...&Jiang Xiao-Ming.(2008).Application of Gaussian multi-peak fitting to radial distribution function.ACTA PHYSICO-CHIMICA SINICA,24(3),497-501.
MLA Feng Wang-Sheng,et al."Application of Gaussian multi-peak fitting to radial distribution function".ACTA PHYSICO-CHIMICA SINICA 24.3(2008):497-501.
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