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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
Source PublicationACTA PHYSICO-CHIMICA SINICA
Volume24Issue:3Pages:497-501
SubtypeArticle
AbstractAqueous 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.
KeywordSynchrotron Radiation X-ray Scattering Radial Distribution Function Multi-peak Fitting Hydrated Structure
WOS HeadingsScience & Technology ; Physical Sciences
WOS KeywordX-RAY-SCATTERING ; AQUEOUS-SOLUTIONS ; M-II ; WATER ; DYNAMICS ; ZN ; MN ; CS
Indexed BySCI
Language英语
WOS Research AreaChemistry
WOS SubjectChemistry, Physical
WOS IDWOS:000254353000026
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.isl.ac.cn/handle/363002/5830
Collection青海盐湖研究所知识仓储
Affiliation1.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
Recommended Citation
GB/T 7714
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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