Application of perturbed chain equation-of-state to solid–liquid equilibria: I. Pure component

A perturbed chain equation-of-state was applied to the solid-fluid equilibria (SFE) of Lennard–Jones (LJ) chains and of n-alkanes with carbon number of 4–32. Results for the LJ chains were reasonable and consistent. The model was able to accurately correlate the SFE of the n-alkanes using parameters that represent segment size, chain length, and intermolecular interaction. Parameters regressed from the n-alkanes varied smoothly and consistently with carbon number. A repulsive exponent in Mie's potential of 40 was found to be optimal. This work sets-up extension of the pure-component model to mixtures.