Continuous time simulation of transient polymer network models

Abstract

A continuous time simulation algorithm for polymer melts is presented. The method is introduced via an explicit application to transient polymer network models, but it may be applied to a much larger class of models. The central quantity of the simulation is the lifetime of a strand. This can be calculated according to a proper distribution, which may depend on the orientation and length of the generated new strand. As the equation of motion of the strand can be integrated analytically during the lifetime of the strand, the procedure works much more efficiently than a previous simulation algorithm for transient network models. The material functions can be calculated as ensemble averages. The new method is shown to work for time-dependent flows. A simplified algorithm for steady flows is also given. Some predictions are made for a specific configuration-dependent transient network model.