Abstract
An isotropic temperature-dependent intermolecular potential is proposed for simultaneous prediction of the second virial coefficient B and the viscosity of over a wide temperature range. Potential parameters at 0 K (repulsive power n = 24.28, equilibrium distance , potential well depth K) and the enlargement of the first excited state are determined by solving an inverse problem of minimization of the sum of squared deviations between calculated and measured data normalized to the relative experimental error. The temperature dependence of the average excited state parameters and is implied in the temperature dependence of the effective excited state enlargement calculated via the vibrational partition function. Tables with recommended potential parameters, second virial coefficient, viscosity and self-diffusion in a temperature range of 175-900 K are proposed.
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