Abstract

Full classical trajectory calculations at temperatures between 77 and 1000 K for COCO collisions using the potential energy surface of van der Pol, van der Avoird and Wormer have been used to test the Mason-Monchik approximation values for the first- and second-order expressions for traditional transport properties: diffusion, viscosity and thermal conductivity. While results of useful accuracy can be obtained for part of the second-order corrections, the errors for these transport properties in first order are much larger than those seen for N 2N 2. Hence this approximation may not be reliable for rotor-rotor collisions.

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