| 水及有机溶剂中离子溶剂化焓的理论计算 |
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| 引用本文： | 王风云,叶静娴,陈民生. 水及有机溶剂中离子溶剂化焓的理论计算[J]. 物理化学学报, 1992, 8(5): 673-676. DOI: 10.3866/PKU.WHXB19920519 |
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| 作者姓名： | 王风云 叶静娴 陈民生 |
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| 作者单位： | Chemistry Department, East China Institute of Technology, Nanjing 210014 |
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| 摘 要： |
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| 关 键 词： | 水 有机溶剂 溶剂化焓 计算 |
| 收稿时间： | 1991-04-15 |
| 修稿时间： | 1991-10-21 |
A Calculation of Ion Solvation Enthalpy in Aqueous and Nonaqueous Solutions |
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| Wang Feng-Yun,Ye Jing-Xian,Chen Min-Sheng. A Calculation of Ion Solvation Enthalpy in Aqueous and Nonaqueous Solutions[J]. Acta Physico-Chimica Sinica, 1992, 8(5): 673-676. DOI: 10.3866/PKU.WHXB19920519 |
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| Authors: | Wang Feng-Yun Ye Jing-Xian Chen Min-Sheng |
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| Affiliation: | Chemistry Department, East China Institute of Technology, Nanjing 210014 |
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| Abstract: | In the light of the interactions between particles, this paper is a calculation of the standard solvation enthalpies for ions Li~+, Na~+, K~+, Rb~+, Cs~+, Ag~+, Cl~-, Br~- and I~- in solvents as H_2O, MeOH, FA, DMF, DMSO, MeCN, PC and SL. The contributions from the cavity formation process, electrostatic attraction, electrostatic repulsion and those from nonelectrostatic interactions are considered. The accordance between the calculated values and those from literature is good except Li~+. |
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| Keywords: | Aqueous Nonaqueous Solvation enthalpy Calculation |
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