Hydration entropy of polar, nonpolar and charged species
Hydration entropy of polar, nonpolar and charged species
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DOI：
10.1016/j.cplett.2009.07.101
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发表时间：
2009-09-07
影响因子：
2.8
通讯作者：
Graziano, Giuseppe
中科院分区：
文献类型：
--
作者：
Graziano, Giuseppe
在室温和大气压下，中性溶质的水合熵的大小随着分子体积的增加而增加，其趋势在很大程度上对溶质分子的极性性质不敏感。通过经典尺度粒子理论计算的水中产生空腔时的熵变很好地再现了这种总趋势。相比之下，20碱金属卤化物的水合熵的大小的组成离子的大小的增加而减小，表明电荷-水偶极相互作用的强度起主导作用。(C)2009爱思唯尔有限公司版权所有。
At room temperature and atmospheric pressure, the magnitude of the hydration entropy of neutral solutes increases with the molecular volume according to a trend that is largely insensitive to the polar nature of the solute molecule. This general trend is well reproduced by the entropy change upon cavity creation in water as calculated by means of classic scaled particle theory. In contrast, the magnitude of the hydration entropy of the 20 alkali halides decreases on increasing the size of the constituent ions, demonstrating that the strength of charge-water dipole interactions plays the dominant role. (C) 2009 Elsevier B.V. All rights reserved.