Acta Phys. -Chim. Sin. ›› 1995, Vol. 11 ›› Issue (01): 71-73.doi: 10.3866/PKU.WHXB19950114

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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

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