Analysis of thermodynamic properties of 1-alkanol + n-alkane mixtures using the nitta-chao group contribution model

Abstract

In 1977, Nitta et al. published a group contribution molecular model for thermodynamic properties of polar and non-polar liquids and their solutions, including energy of vaporization, pVT relationships, excess properties and activity coefficients. At the same time they reported the corresponding characteristic parameters for methyl, methylene, hydroxyl and carbonyl groups and for their mutual interactions. Since the values predicted by the Nitta et al. model for certain excess properties of alcohol + alkane systems using these parameters differ significantly from experimental findings, we have recalculated the relevant parameters using data for a larger number of mixtures and for properties such as excess volumes that were not included in the original database. © 1990.