水及有机溶剂中离子溶剂化焓的理论计算

doi:10.3866/PKU.WHXB19920519

Acta Phys. -Chim. Sin. ›› 1992, Vol. 8 ›› Issue (05): 673-676.doi: 10.3866/PKU.WHXB19920519

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A Calculation of Ion Solvation Enthalpy in Aqueous and Nonaqueous Solutions

Wang Feng-Yun; Ye Jing-Xian; Chen Min-Sheng

Chemistry Department, East China Institute of Technology, Nanjing 210014

Received:1991-04-15 Revised:1991-10-21 Published:1992-10-15
Contact: Wang Feng-Yun

Abstract

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~+.

Key words: Aqueous, Nonaqueous, Solvation enthalpy, Calculation

Wang Feng-Yun; Ye Jing-Xian; Chen Min-Sheng. A Calculation of Ion Solvation Enthalpy in Aqueous and Nonaqueous Solutions[J].Acta Phys. -Chim. Sin., 1992, 8(05): 673-676.

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A Calculation of Ion Solvation Enthalpy in Aqueous and Nonaqueous Solutions

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