Prediction of Density for Aromatic-Compounds from the Statistical- Thermodynamically Perturbation Theory Based Equation of State

Abstract

In this studies, an analytical equation of state proposed by Ihm-Song-Mason was employed to calculate the density of aromatic-compounds including: benzene, anisole, bromobenzene, ethylbenzene, heptylbenzene, toluene, diphenylmethane, tetralin, m-cresol, o-xylene, m-xylene, p-xylene, 2,4-dichlorotoluene and 1,2,3-trimethylbenzene. The best available values of the Lennard-Jones (12,6) parameters have been taken to evaluate the second virial coefficient for each compounds required by the equation of state. The second virial coefficient is not very sensitive to the feature of the intermolecular potential. The remaining parameters in the equation of state depend only on the repulsive part of the potential. Consequently, they are insensitive to the details of the interaction potential. The calculated second virial coefficients in conjunction to the other temperature-dependent parameters of the equation of state were employed to predict the density of aromatic-compounds. A comparison between the experimental values of density and the calculated values from Ihm-Song-Mason equation of state has been made. Agreement with experiment is very good for all of the compounds.