Abstract
The vapour-liquid equilibrium of n-alkanes is computed from a simple perturbation theory. A very accurate equation of state for the repulsive n-alkane chain is combined with a mean-field term which accounts for the contribution of attractive forces to the free energy. The theory correctly predicts the existence of a maximum in the critical density of n-alkanes. When differences in the energetic interactions between methane, methyl and methylene groups are included, a maximum in the critical pressure is found for ethane, in good agreement with experiment. The simplicity of the perturbation scheme allows for an analysis of the conditions that a chain model should possess in order to present maxima either in critical density or pressure. It is shown that the conditions needed for the existence of a maximum in the critical density are (1) overlaps between contiguous sites and (2) small differences in mass between monomer, exterior and interior sites. The conditions needed for the existence of a maximum in the...
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