Ben-Naim Arieh
Department of Physical Chemistry, The Hebrew University of Jerusalem, Jerusalem 91905, Israel.
J Chem Phys. 2008 Jan 14;128(2):024506. doi: 10.1063/1.2818067.
The two one-dimensional models introduced in Part I are used to study the thermodynamics of solvation of inert solutes in water. It is shown that the anomalously large Gibbs energy of solvation of inert solutes in water, on one hand, and the large negative entropy of solvation, on the other hand, arise from different molecular sources. While the primitive model can give rise to a large positive solvation Gibbs energy, it fails to show large negative entropy and enthalpy of solvation. It is remarkable that the primitive cluster model can show both the large positive Gibbs energy and enthalpy of solvation.
第一部分介绍的两个一维模型用于研究惰性溶质在水中溶剂化的热力学。结果表明，一方面，惰性溶质在水中异常大的溶剂化吉布斯自由能，另一方面，大的负溶剂化熵，源于不同的分子来源。虽然原始模型可以产生大的正溶剂化吉布斯自由能，但它无法显示出大的负溶剂化熵和焓。值得注意的是，原始簇模型可以同时显示出大的正吉布斯自由能和溶剂化焓。
