Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids

B. D. Marshall; W. G. Chapman

doi:10.1063/1.4834637

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arXiv · 1309.4758

Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids

B. D. Marshall·W. G. Chapman

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Abstract

We develop a resummed thermodynamic perturbation theory for bond cooperativity in associating fluids by extension of Wertheim's multi - density formalism. We specifically consider the case of an associating hard sphere with two association sites and both pairwise and triplet contributions to the energy. To test the theory we perform new monte carlo simulations. Theory and simulation are found to be in excellent agreement.

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B. D. Marshall, W. G. Chapman. 2013-09-18. Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids. https://doi.org/10.1063/1.4834637

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