ZnCl_2-KCl系熔盐溶液的分子动力学模拟

Molecular Dynamics Simulation of ZnCl_2-KCl Molten Salt Solution

用Busing离子间势,对ZnCl_2—KCl系熔盐溶液的结构作分子动力学计算机模拟研究.模拟结果与中子衍射、X射线衍射、Raman光谱和红外光谱的若干结论相符.

Busing inter-ionic potential function are used for the molecular dynamics simulation of ZnCl2-KCl molten salt solution. The results of computerized simulation are in agreement with the results of experiment works of the Raman, IR spectra and neutron or X-ray diffraction study on ZnCl2-KCl melts.