Modeling bisphenol-A-polycarbonate

The Hamiltonian C is used as input in a dynamic Monte Carlo simulation, where a stepwise cooling procedure is applied and one equilibrates the system to as low a temperature as possible. The system is regarded as equilibrated after the mean center of mass displacement exceeds the value of the mean-squared radius of gyration. This time is approximately equal to the Rouse time as the longest relaxation time in the system. The mean-square displacement of the center of mass of the chains is then used to 

The Rouse theory, furthermore, contains only one rate constant which is connected to the monomeric friction coefficient 

As concerns the modeling of a real polymer by the use of a lattice model, we have shown how a mapping on a mesoscopic scale can be defined to 

Jackie, Rep. Prog. Phys. 49, 171 (1986) R. Zallen, The Physics of Amorphous Solids (Wiley, New York, 1983). 

Angell, in Relaxation in Complex Systems, edited by K. L. Ngai and G. 

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