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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 100, 2002 - Issue 2
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Original Articles

Equation of state of long chain molecules and rings

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Pages 311-316 | Received 11 Jun 2001, Accepted 21 Aug 2001, Published online: 23 Nov 2009
 

Abstract

An equation of state for long chain molecules has been proposed using statistical associating fluid theory (SAFT). The formalism derived here is based on the assumption that the chain is formed by the pairs of trimers. The equations of state for 48-mers and 192-mers are formulated and compared with Monte Carlo results. The theory has been developed to treat hard sphere molecules with two attraction sites to form a ring molecule. The equations of state for trimer, hexamer and 12-mer ring molecules have been formulated. There is excellent agreement with available Monte Carlo results. Second virial coefficients of tangent chain molecules and ring molecules have been determined numerically and compared with simulation results.

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