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首页> 外文期刊>Proceedings of the National Academy of Sciences of the United States of America >Note on the energy density in the solvent induced by a solute
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Note on the energy density in the solvent induced by a solute

机译：注意溶质在溶剂中引起的能量密度

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摘要

The question of how far the effect of the presence of a solute molecule propagates into the solvent is studied in a lattice model that had been used earlier to describe hydrophobic interactions. The local energy density in the model solvent is obtained as an explicit function of distance from the solute and is found to decay to its bulk-phase value with the same decay length as that of the solvent-mediated part of the potential of mean force between a pair of solute molecules. The integrated deviation of the energy density from its bulk-phase value is evaluated in Bethe-Guggenheim approximation and shown to be identical to the energy change accompanying the dissolution of the solute as obtained from the temperature dependence of its solubility.
机译：在早先用于描述疏水相互作用的晶格模型中研究了溶质分子存在的影响传播到溶剂中的程度的问题。获得模型溶剂中的局部能量密度，作为其与溶质之间距离的明确函数，并发现其衰减至其体相值，且其衰减长度与溶剂介导的平均力之间的部分具有相同的衰减长度。一对溶质分子。能量密度与其体相值的积分偏差通过Bethe-Guggenheim近似进行评估，并显示出与随溶质溶解而产生的能量变化相同，溶质随溶解度的温度变化而变化。

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