The Energy Barrier to Recombination in Hydrated Plasma

被引：0
|
作者：
S. V. Shevkunov
机构：
[1] St. Petersburg State Polytechnic University,
来源：
High Energy Chemistry | 2005年 / 39卷
关键词：
Experimental Data; Entropy; Physical Chemistry; Hydrate; Free Energy;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
An abnormally high potential barrier that separates the H3O+ and Cl− ions in a cluster of water molecules was revealed. The profile of the barrier was calculated by computer simulation. The calculation was based on a detailed model of intermolecular interactions developed on the basis of experimental data on the free energy and entropy for the addition reactions of water molecules in the vapor phase to the hydration shell of ions in conjunction with the results of quantum-chemical calculations.
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页码：351 / 355
页数：4
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