Prediction of equilibrium properties of single and binary n-alcohols

Abstract

A description of equilibrium quantities, including the excess functions of mixing, was possible using a small number of parameters essentially obtainable from the properties of pure components. For this purpose, molecules were divided into segments, segments related to graph points, interesting walks on graphs counted, and thermodynamic properties expressed in terms of interactions of pairs of walks. For such an approach, the association of alcohols is irrelevant and no reference to association schemes was made. “Odd” behaviour of the lower members of the homologous series of n-alcohols was discussed in terms of walks on corresponding graphs.