【摘要】 用ＭＣ方法对熔融碱金属卤化物进行了模拟计算，势能采用Ｆｕｍｉ－Ｔｏｓｉ热，计算了简单熔融盐、熔盐混合物以及互易系熔盐的经向分布函数和各体系的热力学量，包括摩尔内能、等容热容和摩尔体积。计算机模拟计算结果与实测值和其他计算值一致。结果表明若使用适当的势能形式，计算机摸拟技术能用于研究熔融盐的结构和热力学性质。更多还原

【Abstract】 with Funi-Tosi pair interaction potential,the thermodynamics properties and the structureof alkali halide melts have been calculated by Monte Carlo computer simulation method. The radial distribution function,ionic coordination number and the local structure were computed for severalsystems. The obtained equilbrium proporties,such as mole internal energy,speific heat and molevolum,are shown to be in good agreement with the experinent measurements,which shows that thecomputer simulation can be used to investigat the structure and equilibrium properties.更多还原