On the virial coefficients of the equation of state of a system of non-axial molecules
A thermodynamic perturbation theory in which all angle-dependent interactions are considered as a perturbation of the central potential is applied to calculate the second and third virial coefficients of a fluid composed of non-axial molecules. The influence of a large number of anisotropic pair- and three-body non-ādditive interactions has been considered. Experimental values have been used for the dipole moment, quadrupole tensor and for anisotropic polarizability. The parameters for the central Lennard-Jones (12-6) potential have been determined from the viscosity data. The relative contribution of each branch of pair and triplet interactions has been evaluated as a function of temperature for molecules possessing both the axial- and non-axial symmetries. It has been shown that the non-axial approximation is an improvement over the axial one. Theoretical results have been compared with the experimental data of CH3OH.
Volume 94, 2020
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