COMPUTER-SIMULATION OF KINETICS OF COIL-STRETCHED CHAIN TRANSITION INELONGATIONAL FLOW

The Brownian dynamics technique is used to simulate the behavior of a polymer chain in an elongational flow. A macromolecule is represented by dumbbell with conformation-dependent friction coefficient. Equilibr ium and kinetic properties of the chain are studied. The effective pot ential approximation is shown to be quite appropriate for the descript ion of the chain distribution function. The transition times through t he effective potential barrier are in a good agreement with the predic tion of the Kramers theory. The S-shaped curve for the extension ratio of the dumbbell as a function of the velocity gradient is observed wh en simulation times are comparable with the transition times.