COMPUTER SIMULATION OF STRUCTURE OF La-LaCl3-KCl MELT
来源期刊：JOURNAL OF RARE EARTHS1990年第4期
论文作者：杨忠保 郭春泰 唐定骧 徐驰
文章页码：260 - 264
摘 要：<正> The structure of the La-LaCl3-KCl molten system at 1223K has been investigated by computersimulation using Monte Carlo method.The partial radial distribution functions of some ion pair as well as thepotential and internal energy of the system at 1223K have been calculated.The results implies that about50% of La（Ⅲ）is six coordinated and LaCl42- tetrahedron is the predominant configuration for La（Ⅱ）.It is also concluded that the distribution of free space in the molten system is not uniform.There exist manyfissures and empty holes in the molten salt.
杨忠保，郭春泰，唐定骧，徐驰
摘 要：<正> The structure of the La-LaCl3-KCl molten system at 1223K has been investigated by computersimulation using Monte Carlo method.The partial radial distribution functions of some ion pair as well as thepotential and internal energy of the system at 1223K have been calculated.The results implies that about50% of La（Ⅲ）is six coordinated and LaCl42- tetrahedron is the predominant configuration for La（Ⅱ）.It is also concluded that the distribution of free space in the molten system is not uniform.There exist manyfissures and empty holes in the molten salt.
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