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用分子动力学模拟方法研究了NaF—NaCl和KF—KCl熔盐系在氯化物一端1000℃的混杂过程.模拟表明该过程是一弱放热过程,与现有实验数据相符,同时利用偏径向分布函数的差别初步解释了模拟结果,分析偏径向分布函数图,观察到混合系统的Cl-—Cl-的第一峰分裂成双峰.
Molecular dynamics simulations were performed to investigate the confounding process of the molten salt system of NaF-NaCl and KF-KCl at 1000 ℃ at one end of the chloride.The simulation shows that this process is a weak exothermic process and accords with the existing experimental data, The results of the simulation are explained preliminarily to the difference of distribution function, and the radial distribution function diagram is analyzed. It is observed that the first peak of Cl - Cl- in the hybrid system splits into two peaks.