Rotational dynamics in simple dense liquids

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Abstract
Recollision kinetic theory (RcKT) is applied to the calculation of the rotational friction coefficient of a hard nonspherical convex body in a dense fluid of hard spheres. The ratio of the rotational friction, fR , to its Enskog value, fER , is determined to be fR/fER≂1+1.06ρ* exp(5ρ*2), where ρ* is the packing fraction of the hard sphere solvent. RcKT accounts for the effect of caginglike correlated recollisions on molecular rotation. The above equation brings kinetic theory predictions of rotational friction and orientational correlation times into closer accord with experimental and molecular dynamics derived values.