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Citation: Zhang Youmin, Zhao Xinsheng. STUDY OF SOLVATION OF MONATOMIC IONS
Ⅱ. THEORETICAL CALCULATION OF GIBBS FREE ENERGY OF SOLVATION IN PROTIC AND DIPOLAR APROTIC SOLVENTS[J]. Acta Physico-Chimica Sinica, ;1986, 2(02): 110-118. doi: 10.3866/PKU.WHXB19860203 shu

STUDY OF SOLVATION OF MONATOMIC IONS
Ⅱ. THEORETICAL CALCULATION OF GIBBS FREE ENERGY OF SOLVATION IN PROTIC AND DIPOLAR APROTIC SOLVENTS

1.
Chemistry Department. Peking University, Beijing

Received Date: 20 October 1984
Available Online: 15 April 1986

An approach of theoretical calculation of Cibbs Free Energy of ionic solvation has been proposed. A new treatment of electrostatic interaction between ion and solvent molecules located in the first solvation layer has been shown. Contribution of solute-solvent interaction to energy calcuiation has been considered. Born equation was used in the calculation of electrostatic energy out of the first solva- tion layer. Scaled particle theory was used for non-electrostatic interactions. Re- pulsion energy was estimated by the formula given by F. H. Lee and Y. K. Tai. Calculations of various kinds of ions in H_2O, DMF and PC are in od agreement with experimental values.
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STUDY OF SOLVATION OF MONATOMIC IONSⅡ. THEORETICAL CALCULATION OF GIBBS FREE ENERGY OF SOLVATION IN PROTIC AND DIPOLAR APROTIC SOLVENTS

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通讯作者: 陈斌, bchen63@163.com

STUDY OF SOLVATION OF MONATOMIC IONS
Ⅱ. THEORETICAL CALCULATION OF GIBBS FREE ENERGY OF SOLVATION IN PROTIC AND DIPOLAR APROTIC SOLVENTS