A SIMPLE EMPIRICAL-MODEL DESCRIBING THE THERMODYNAMICS OF HYDRATION OF IONS OF WIDELY VARYING CHARGES, SIZES, AND SHAPES

被引:732
作者
MARCUS, Y [1 ]
机构
[1] UNIV LEICESTER,DEPT CHEM,LEICESTER LE1 7RH,ENGLAND
关键词
MODEL FOR ION HYDRATION; THERMODYNAMIC FUNCTIONS OF HYDRATION; ELECTROSTRICTION; WATER STRUCTURE MAKING; BREAKING;
D O I
10.1016/0301-4622(94)00051-4
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Cations and anions and small and large ions are hydrated in different manners, due to the orientation of water molecules around them. Still, a very simple model accounts reasonably well for the thermodynamics of hydration of ions with charges z varying from +/-1 to +/-4, depending only on z and their radii r, when taken as spheres. The model specifies the width of the hydration shell, Delta r, the number n of water molecules immobilized and electrostricted in it, proportional to \z\/r, and the bulk and high-field dielectric properties of the water. It accounts for the Gibbs energy, enthalpy, entropy, heat capacity of hydration and the partial molar volumes of the ions.
引用
收藏
页码:111 / 127
页数:17
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