Concentration-dependent structure of mixed NH4Cl and (NH4)(2)SO4 aqueous solutions from the X-ray diffraction, Raman spectroscopy and molecular dynamics simulations
文献类型：期刊论文
| 作者 | Wang, JH; Lin, H; Li, F; Li, SY; An, SS; Yuan, JS |
| 刊名 | JOURNAL OF MOLECULAR STRUCTURE
 |
| 出版日期 | 2019 |
| 卷号 | 1185期号:-页码:469—477 |
| 关键词 | AB-INITIO WATER-STRUCTURE HYDRATION AMMONIUM HYDROGEN ION SCATTERING K+ TEMPERATURE SOLVATION |
| ISSN号 | 0022-2860 |
| DOI | 10.1016/j.molstruc.2019.01.082 |
| 文献子类 | 期刊论文 |
| 英文摘要 | Influences of concentration on micro structures of mixed NH4Cl and (NH4)(2)SO4 aqueous solutions are investigated by Raman spectroscopy, X-ray diffraction spectroscopy and molecular dynamics simulations. We deduce the reduced pair distribution function G(r) from X-ray diffraction diagrams, obtain the radial distribution function (RDF) from the molecular dynamics simulations and get the excess Raman spectroscopy from Raman spectroscopy. The results above illustrate that the formation of interaction between NH4 thorn and SO42- causes a characteristic peak in the X-ray diffraction spectroscopy, which can be used to prove the existence of both NH4+ and SO42- in solutions. Besides, as the mixed concentrations change, two structural turning points appear. One turning point is mixed concentrations of 23% NH4Cl and 10% (NH4)(2)SO4, while the other one is mixed concentrations of 11% NH4Cl and 30% (NH4)(2)SO4. At these points, the old network structure and original ion contact pairs are damaged, while the new ion pairs are generated, due to the addition of mixed NH4Cl and (NH4)(2)SO4 in aqueous solutions. Furthermore, these conclusions of experimental and simulated test are completely consistent and mutually supportive. (C) 2019 Published by Elsevier B.V. |
| 语种 | 英语 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/31519]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 作者单位 | 1.Hebei Univ Technol, Sch Chem Engn & Technol, Tianjin 300130, Peoples R China; 2.Quanzhou Normal Univ, Coll Chem Engn, Fujian 362000, Quanzhou, Peoples R China 3.Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China; 4.Minist Educ, Engn Res Ctr Seawater Utilizat Technol, Tianjin 300130, Peoples R China; |
| 推荐引用方式 GB/T 7714 | Wang, JH,Lin, H,Li, F,et al. Concentration-dependent structure of mixed NH4Cl and (NH4)(2)SO4 aqueous solutions from the X-ray diffraction, Raman spectroscopy and molecular dynamics simulations[J]. JOURNAL OF MOLECULAR STRUCTURE,2019,1185(-):469—477. |
| APA | Wang, JH,Lin, H,Li, F,Li, SY,An, SS,&Yuan, JS.(2019).Concentration-dependent structure of mixed NH4Cl and (NH4)(2)SO4 aqueous solutions from the X-ray diffraction, Raman spectroscopy and molecular dynamics simulations.JOURNAL OF MOLECULAR STRUCTURE,1185(-),469—477. |
| MLA | Wang, JH,et al."Concentration-dependent structure of mixed NH4Cl and (NH4)(2)SO4 aqueous solutions from the X-ray diffraction, Raman spectroscopy and molecular dynamics simulations".JOURNAL OF MOLECULAR STRUCTURE 1185.-(2019):469—477. |
入库方式： OAI收割
来源：上海应用物理研究所
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