Dynamics of n-alkanes: Comparison to Rouse model

The crossover to Rouse-type behavior for the self-diffusion constant D, the viscosity η, and the equilibrium structural statistics of n-alkanes (6⩽n⩽66) is studied numerically. For small n the chains are non-Gaussian and the mean squared end-to-end distance 〈R2〉 is greater than 6〈RG2〉, where 〈RG2…