STATISTICAL MECHANICS OF IMPERFECT MOLECULAR CRYSTALS

被引：6

作者：

ALLNATT, AR

ROWLEY, LA

机构：

[1] Department of Chemistry, The University, Manchester 13, England

来源：

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 1969年 / 30卷 / 09期

关键词：

D O I：

10.1016/0022-3697(69)90144-9

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Equations are developed for the calculation of thermodynamic functions of imperfect molecular crystals containing one species of point defect on a cubic lattice, following a method proposed by Mayer[7]. The treatment of vibrations requires essentially only the techniques applicable to a perfect crystal, requires no static relaxation calculation, and can allow for defect-defect interactions. The free energy of solution, and the activity coefficient in an approximation similar to that of Bragg and Williams, are calculated for argon in krypton in moderate agreement with experiment. Results for vacancy concentrations in krypton are less satisfactory. The limitations of the method are indicated. © 1969.

引用

页码：2187 / &

共 23 条

[1]

BRADBURN M, 1943, P CAMB PHIL SOC, V40, P113

[2] RELAXATION ENERGY OF VACANCIES AND IMPURITIES IN A MOLECULAR LATTICE [J].