Some aspects of theory and simulations of polymers in steady flows

We present a study of various properties of bead spring chains in steady flows. The Langevin equation of the normal modes of the chain is solved by Fourier transformation. From the resulting power spectrum, the autocorrelation functions of all configuration‐dependent quantities can be calculated. In equilibrium, the influence of the bead masses on the short‐time dynamics is discussed. The influence of different flow fields (shear, elongational and Kramers potential flow) on the mean‐square chain dimension is calculated. A comparison with results obtained from non‐equilibrium molecular dynamics and Monte Carlo calculations is made. Finally, the influence of shear flow on the configurational and rheological properties of cyclic polymers and on the excluded volume behavior of linear chains is examined.