Cluster perturbation theory thermodynamic properties

As we described in Section III.G, perturbation theories can be extended in a systematic way using cluster expansion techniques. These techniques have recently been applied to the calculation of the thermodynamic properties and vapor-liquid equilibrium of 12-6 diatomics and seem to offer a clear improvement over the first-order perturbation theories. To illustrate this point. Table I shows values of the critical density and critical temperature predicted by the ISF-ORPA theory and the first-order perturbation theory together with results recently obtained from molecular dynamics... 

Buta et al. (2001) tested the Monte Carlo approach for the lattice cluster theory to derive the thermodynamic properties of binary polymer blends. They considered the two polymers to have the same polymerization indices, i.e., M = 40, 50, or 100. The results confirm that this lattice cluster theory had a higher accuracy compared to the Flory-Huggins theory and the Guggenheim s random mixing approximation. However, some predictions for the specific heat were found to be inaccurate because of the low order cutoff of the high temperature perturbative expansion. 

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