Thermodynamics of 1-alkanol + n-alkane mixtures: new data and predictions from the NTGC model

Abstract

Densities, isentropic compressibilities, and isobaric molar heat capacities for the 1-propanol+( n-dodecane or n-tridecane) systems were determined over the whole composition range, at atmospheric pressure, and at temperatures within the interval (280.15–318.15 K). Isobaric thermal expansivities, isothermal compressibilities, and isochoric molar heat capacities, as well as the excess quantities for the given properties were derived from the measured data. Partial destruction of the hydrogen-bonded structure of 1-propanol during mixing, which implies a non-random distribution of the molecules in the mixture, seems to be the dominant effect at a microscopic level. Thermodynamic modeling in the framework of the NTGC group-contribution molecular model was carried out in order to analyze the ability of the model using a previously-defined functional group partitioning of 1-propanol molecules.