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In this paper we develop a thermodynamic perturbation theory for two siteassociating fluids which exhibit bond cooperativity. We include both sterichindrance and ring formation such that the equation of state is bond angledependent. Here the bond angle is the angle separating the centers of the twoassociation sites. As a test, new Monte Carlo simulations are performed, andthe theory is found to accurately predict the internal energy as well as thedistribution of associated clusters as a function of bond angle and bondcooperativity.

journal of chemical physics online/the journal of chemical physics/journal of chemical physics

Resummed thermodynamic perturbation theory for bond cooperativity in  associating fluids with small bond angles: Effects of steric hindrance and  ring formation