物理化学学报 >> 1995, Vol. 11 >> Issue (01): 71-73.doi: 10.3866/PKU.WHXB19950114

研究简报 上一篇    下一篇

ZnCl2熔盐的分子动力学模拟

黄世萍, 刘洪霖, 马彦会, 唐波, 陈念贻   

  1. 中国科学院上海冶金研究所|上海 200050
  • 收稿日期:1993-08-17 修回日期:1993-12-04 发布日期:1995-01-15
  • 通讯作者: 陈念贻

Molecular Dynamics Simulation of ZnCl2 Melts

Huang Shi-Ping, Liu Hong-Lin, Ma Yan-Hui, Tang Bo, Chen Nian-Yi   

  1. Shanghai Institute of Metallurgy,Chinese Academy of Sciences,Shanghai 200050
  • Received:1993-08-17 Revised:1993-12-04 Published:1995-01-15
  • Contact: Chen Nian-Yi

关键词: ZnCl2熔盐, 分子动力学模拟

Abstract:

Busing potential function has been used for the computer simulation of ZnCl2 melts. The agreement between the calculated values of inter-ionic distances and total internal energy with the experimental data are rather good.

Key words: ZnCl2 melts, Molecular dynamics simulation