Solvation of a water molecule in cyclohexane and water

被引:8
|
作者
Graziano, G
机构
[1] Univ Naples Federico II, Dipartimento Chim, Complesso Univ Monte S Angelo, I-80126 Naples, Italy
[2] Univ Sannio, Fac Sci, I-82100 Benevento, Italy
关键词
water; cavity creation; H-bonds; van der Waals interactions;
D O I
10.1139/cjc-79-2-105
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Reliable values for the thermodynamic functions associated with the solvation of a water molecule in its own liquid phase and in cyclohexane, at 25 degreesC, are obtained using experimental data from different investigations. They are successfully rationalized by means of a general theory of solvation. The standard Gibbs energy change is given by the balance of two contrasting terms: the work to create a cavity in the solvent suitable to host the water molecule; and the work to turn on the water-solvent interactions. It proves that the work of cavity creation is largely overwhelmed by the formation of two H-bonds in liquid water, whereas it is almost exactly counterbalanced by the establishment of van der Waals interactions in liquid cyclohexane.
引用
收藏
页码:105 / 109
页数:5
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