Mean reciprocal distances of short polymethylene chains. Calculation of the translational diffusion coefficient of n-alkanes

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Abstract
The reciprocal distance averages of chain molecules 〈R−1ij〉 are calculated by a nonlattice Monte Carlo method. These 〈R−1ij〉’s are needed in the theory of hydrodynamic properties. The calculation is carried out for polymethylene chains of up to 50 C–C bonds. Interactions of short range and of long range are taken into account by means of the relative stability of rotational isomers and of a hard sphere excluded volume. The results obtained are used to interpret literature data on the translational diffusion coefficient of n‐alkanes, in benzene, and in carbon tetrachloride.