Theoretical Prediction for the Reaction Rates in Salt-Aqueous Binary and Salt-Aqueous-Nonaqueous Ternary Systems

Chem. J. Chinese Universities ›› 1993, Vol. 14 ›› Issue (9): 1275.

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Theoretical Prediction for the Reaction Rates in Salt-Aqueous Binary and Salt-Aqueous-Nonaqueous Ternary Systems

WANG Feng-Yun, YU Bo-Heng, CHEN Min-Sheng, YE Jing-Xian, JIN Jia-Jun

Department of Chemistry, Nanjing University of Science and Technology, Nanjing, 210014

Received:1992-10-29 Revised:1993-02-10 Online:1993-09-24 Published:1993-09-24

Abstract

Abstract: Considering the contributions from the cavity formation, non-electrostatic (induction and dispersion), electrostatic (i.e.ion-ion, ion-dipole, dipole-dipole), repulsion (hard-sphere and electrostatic) and the hydrogen bond interactions between the solute and the solvent particles, this paper is a prediction of the rate constants for alkaline hydrolysis reaction of ethyl-acetate in a series of H₂O-NaCl, H₂O-KCl, H₂O-BaCl₂, H₂O-SrCl₂ systems, and for solvolysis reaction of t-BuCl in some compositions of H₂O-DMSO-MX, H₂O-Me₂CO-MX, H₂O-MeOH-MX, H₂O-EtOH-MXsystems (where MX = NaCl, NaNO₃, LiClO₄).For most of the systems, the calculated results are in good agreement with those from literatures.Adiscussion on the formula used, the results obtained and the contributions from each interactions is given at the end briefly.

Key words: Mixed solvent, Ethyl-acetate, t-BuCl, Salt effect, Reaction rate constant

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WANG Feng-Yun, YU Bo-Heng, CHEN Min-Sheng, YE Jing-Xian, JIN Jia-Jun . Theoretical Prediction for the Reaction Rates in Salt-Aqueous Binary and Salt-Aqueous-Nonaqueous Ternary Systems[J]. Chem. J. Chinese Universities, 1993, 14(9): 1275.

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Theoretical Prediction for the Reaction Rates in Salt-Aqueous Binary and Salt-Aqueous-Nonaqueous Ternary Systems

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