Molecular dynamics study of liquid carbo
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S.-B. Zhu; G.W. Robinson
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Article
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1989
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Elsevier Science
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English
⚖ 438 KB
Molecular dynamics (MD) simulation of liquid carbon dioxide near the triple point is carried out on the CRAY X-MP supercomputer. An empirical intermolecular potential is derived by use of the model proposed recently for carbon disuiphide. In addition, the intramolecular degrees of freedom are introd