Pair correlation functions of liquid CS2. A comparison between statistical-mechanical theories and computer simulation

✍ Scribed by O. Steinhauser; H. Bertagnolli

• Publisher: Elsevier Science
• Year: 1981
• Tongue: English
• Weight: 429 KB
• Volume: 80
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(81)80064-4

✦ Synopsis

The atom pair correlation functions of liquid CS2 were calculated by RISM theory and the normalized expansion coef-Bcients of the generalized pair correlation function evaluated by a cluster expansion. We used Lennard-Jones interactions between the atoms constituting the molecules. All correlatron functions are compared to a computer simulation.