Structure of MgSO4 in Concentrated Aqueous Solutions by X-Ray Diffraction
文献类型：期刊论文
| 作者 | Cao Ling-di1,2; Fang Yan1 ; Fang Chun-hui1
|
| 刊名 | CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
 |
| 出版日期 | 2011-05-01 |
| 卷号 | 27期号:3页码:490-495 |
| 关键词 | Solution Structure X-ray Diffraction Magnesium Sulfate Radial Distribution Function(Rdf) |
| 文献子类 | Article |
| 英文摘要 | Detailed time-and-space-averaged structure of MgSQ(4) in the concentrated aqueous solutions was investigated via X-ray diffraction with an X'pert Pro theta-theta diffractometer at 298 K, yielding structural function and radial distribution function(RDF). The developed KURVLR program was employed for the theoretical investigation in consideration of the ionic hydration and ion association. Multi-peaks Gaussian fitting method was applied to deconvolving the overlapping bands of Differential radial distribution function(DRDF). The calculation of the geometric model shows that octahedrally six-coordinated Mg(H2O)(6)(2+), with an Mg2+center dot center dot center dot O-w bond length of 0.201 nm dominates in the solutions. There exists contact ion-pair(CIP) in the more concentrated solution(1:18, H2O/salt molar ratio) with a coordination number of 0.8 and a characteristic Mg center dot center dot center dot S distance of 0.340 nm. The result indicates the hydrated SO(4)(2-)ion happens in the solution. The S...O-w bond distance was determined to be 0.382 nm with a coordination number of 13. The fraction of CIP increases significantly with the increasing concentration. The symmetry of the hydration structure of sulfate ion is lowered by forming complex with magnesium ion. |
| WOS关键词 | MAGNESIUM-SULFATE ; AB-INITIO ; CRYSTAL-STRUCTURE ; HIGH-PRESSURE ; HYDRATION ; ION ; WATER ; CONDUCTANCE ; SIMULATION ; DYNAMICS |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000291505100032 |
| 源URL | [http://ir.isl.ac.cn/handle/363002/5993]  |
| 专题 | 青海盐湖研究所_青海盐湖研究所知识仓储 青海盐湖研究所_盐湖资源与化学实验室 |
| 作者单位 | 1.Chinese Acad Sci, Inst Salt Lakes, Key Lab Salt Resources & Chem, Xining 810008, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Cao Ling-di,Fang Yan,Fang Chun-hui. Structure of MgSO4 in Concentrated Aqueous Solutions by X-Ray Diffraction[J]. CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,2011,27(3):490-495. |
| APA | Cao Ling-di,Fang Yan,&Fang Chun-hui.(2011).Structure of MgSO4 in Concentrated Aqueous Solutions by X-Ray Diffraction.CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,27(3),490-495. |
| MLA | Cao Ling-di,et al."Structure of MgSO4 in Concentrated Aqueous Solutions by X-Ray Diffraction".CHEMICAL RESEARCH IN CHINESE UNIVERSITIES 27.3(2011):490-495. |
入库方式： OAI收割
来源：青海盐湖研究所
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