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Application of Gaussian multi-peak fitting to radial distribution function
其他题名高斯多峰拟合在径向分布函数中的应用
Feng, WS; Fang, Y; Xu, JX; Fang, CH; Jia, QJ; Wang, HH; Jiang, XM; Jia QJ(贾全杰); Wang HH(王焕华); Jiang XM(姜晓明)
2008
发表期刊ACTA PHYSICO-CHIMICA SINICA
卷号24期号:3页码:497-501
通讯作者[Feng Wang-Sheng ; Fang Yan ; Xu Ji-Xiang ; Fang Chun-Hui] Chinese Acad Sci, Qinghai Inst Salt Lakes, Xining 810008, Peoples R China ; [Jia Quan-Jie ; Wang Huan-Hua ; Jiang Xiao-Ming] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China ; [Feng Wang-Sheng ; Xu Ji-Xiang] Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China
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
学科领域Chemistry
研究领域[WOS]Chemistry ; Chemistry
DOI10.3866/PKU.WHXB20080326
URL查看原文
语种英语
研究领域[WOS]Chemistry ; Chemistry
WOS类目Chemistry, Physical
WOS记录号WOS:000254353000026
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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.ihep.ac.cn/handle/311005/237719
专题多学科研究中心
作者单位中国科学院高能物理研究所
推荐引用方式
GB/T 7714
Feng, WS,Fang, Y,Xu, JX,et al. Application of Gaussian multi-peak fitting to radial distribution function[J]. ACTA PHYSICO-CHIMICA SINICA,2008,24(3):497-501.
APA Feng, WS.,Fang, Y.,Xu, JX.,Fang, CH.,Jia, QJ.,...&姜晓明.(2008).Application of Gaussian multi-peak fitting to radial distribution function.ACTA PHYSICO-CHIMICA SINICA,24(3),497-501.
MLA Feng, WS,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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