Influence of chain length and degree of branching of alcohol plus chlorobenzene mixtures on determination and modelling of V-E by CEOS and CEOS/G(E) mixing rules

Abstract

The densities of binary mixtures of (1-propanol, or 1-butanol, or 2-butanol, or 1-pentanol+chlorobenzene) have been measured at temperatures 288.15, 293.15, 298.15, 303.15, 308.15 and 313.15 K and atmospheric pressure while for the system (2-methyl-2-propanol + chlorobenzene) measurements were performed at the same pressure and temperatures 303.15, 308.15, 313.15, 318.15 and 323.15 K. All measurements were performed by means of an Anton Paar DMA 5000 digital vibrating-tube densimeter. Excess molar volumes V-E were determined and fitted by the Redlich-Kister equation. It was observed that in all cases, V increase with rising of temperature. The values of limiting excess partial molar volumes have been calculated, as well. The obtained results have been analysed in terms of specific molecular interactions present in these mixtures taking into consideration effect of the chain length of alcohols, degree of branching in the chain, relative position of the alkyl and OH group in an alcohol and the effect of temperature on them. In addition, the correlation of V binary data was performed with the Peng-Robinson-Stryjek-Vera cubic equation of state (PRSV CEOS) coupled with the van der Waals (vdW1) and CEOS/G(E) mixing rule introduced by Twu, Coon, Bluck and Tilton (TCBT). Also, the possibility of cross prediction between V and VILE by means of the NRTL parameters of G(E) model available in literature and those incorporated in the TCBT model was tested.