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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 57, 1986 - Issue 5
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Original Articles

MC simulation results for a hard core model of carbon tetrachloride

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Pages 909-918 | Received 09 Jul 1985, Accepted 18 Nov 1985, Published online: 23 Aug 2006
 

Abstract

Monte Carlo simulations on a hard tetrahedron fluid (hard core model of CCl4) have been performed. The average site-site correlation functions, their generalized (1, 0, 0) spherical harmonic expansion coefficients, equation of state, and virial coefficients have been calculated and compared with theoretical methods currently available. The RISM equation is less accurate for the model studied than for simpler models considered so far. For the equation of state the best results are obtained from the Boublik-Nezbeda equation which agrees with the simulation results throughout the density range considered.

Additional information

Notes on contributors

Horst L. Vörtler

On leave of absence from the Zentralinstitut für Isotopen- und Strahlenforschung, AdW der DDR, 7050 Leipzig, G.D.R.

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