Abstract: Experimental data of refractive index, excess molar volume and viscosity of binary mixture of morpholine with cumene over the whole composition range at 298.15 K, 303.15 K, 308.15 K and normal atmospheric pressure have been measured. The experimental data were used to compute the density, deviation in molar refraction, deviation in viscosity and excess Gibbs free energy of activation as a function of composition. The experimental viscosity data have been correlated with empirical equations like Grunberg- Nissan, Herric correlation and three body McAllister’s equation. The excess thermodynamic properties were fitted to Redlich-Kister polynomial equation. The variation of these properties with composition and temperature of the binary mixtures are discussed in terms of intermolecular interactions.
Abstract: Group contribution based models are widely used in
industrial applications for its convenience and flexibility. Although a
number of group contribution models have been proposed, there were
certain limitations inherent to those models. Models based on group
contribution excess Gibbs free energy are limited to low pressures and
models based on equation of state (EOS) cannot properly describe
highly nonideal mixtures including acids without introducing
additional modification such as chemical theory. In the present study
new a new approach derived from quantum chemistry have been used
to calculate necessary EOS group interaction parameters. The
COSMO-RS method, based on quantum mechanics, provides a
reliable tool for fluid phase thermodynamics. Benefits of the group
contribution EOS are the consistent extension to hydrogen-bonded
mixtures and the capability to predict polymer-solvent equilibria up to
high pressures. The authors are confident that with a sufficient
parameter matrix the performance of the lattice EOS can be improved
significantly.
Abstract: Isobaric vapor-liquid equilibrium measurements are
reported for binary mixture of 2-Methyltetrahydrofuran and Cumene
at 97.3 kPa. The data were obtained using a vapor recirculating type
(modified Othmer's) equilibrium still. The mixture shows slight
negative deviation from ideality. The system does not form an
azeotrope. The experimental data obtained in this study are
thermodynamically consistent according to the Herington test. The
activity coefficients have been satisfactorily correlated by means of
the Margules, and NRTL equations. Excess Gibbs free energy has
been calculated from the experimental data. The values of activity
coefficients have also been obtained by the UNIFAC group
contribution method.