Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids

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.

References in corpus (3)

• Thermodynamic perturbation theory for associating fluids with small bond angles: Effects of steric hindrance, ring formation and double bonding
• Molecular Theory for Self Assembling Mixtures of Patchy Colloids and Colloids with Spherically Symmetric Attractions: The Single Patch Case
• Molecular theory for the phase equilibria and cluster distribution of associating fluids with small bond angles

Cited by in corpus (6)

• On the Formation of Equilibrium Gels via a Macroscopic Bond Limitation
• A second order thermodynamic perturbation theory for hydrogen bond cooperativity in water
• Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids with small bond angles: Effects of steric hindrance and ring formation
• Thermodynamic perturbation theory for associating fluids confined in a 1- dimensional pore
• On the cooperativity of association and reference energy scales in thermodynamic perturbation theory
• A general mixture equation of state for double bonding carboxylic acids with >= 2 association sites