Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids
classification
❄️ cond-mat.soft
cond-mat.stat-mechphysics.chem-ph
keywords
theoryassociatingbondcooperativityfluidsperturbationresummedthermodynamic
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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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