Multiparticle collision dynamics simulation of a polymer in a viscous fluid

We perform a hybrid molecular dynamics simulation of a polymer immersed in a viscous liquid. Using the multiparticle collision dynamics algorithm to incorporate the hydrodynamic effects, we examine static and dynamic properties of a self-avoiding flexible polymer. The diffusion coefficient of the polymer is found to be proportional to N−ν, where N is the molecular weight of the polymer and ν = 3/5 is the swelling exponent, as predicted by the Zimm model. The velocity autocorrelation function of the center of mass of the polymer is obtained as a function of time t, which shows an algebraic decay as t−3/2 at long-time scales. Our results confirm the theoretical prediction for the dynamical properties of a polymer and show the validity of the hybrid simulation scheme in studying the dynamics of a polymer in a viscous fluid.