Dynamics of short polymer chains in solution
Department of Physics, Theoretical Physics - 1 Keble Road,
Oxford OX1 3NP, UK
Accepted: 24 August 2000
We present numerical and analytical results describing the effect of hydrodynamic interactions on the dynamics of a short polymer chain in solution. A molecular dynamics algorithm for the polymer is coupled to a direct simulation Monte Carlo algorithm for the solvent. We give an explicit expression for the velocity autocorrelation function of the centre of mass of the polymer which agrees well with numerical results if Brownian dynamics, hydrodynamic correlations and sound wave scattering are included.
PACS: 83.10.Nn – Polymer dynamics / 82.20.Wt – Computational modelling; simulation / 05.40.-a – Fluctuation phenomena, random processes, noise, and Brownian motion
© EDP Sciences, 2000