M. Wittkop et al., A MONTE-CARLO STUDY OF THE GLASS-TRANSITION IN 3-DIMENSIONAL POLYMER MELTS, Journal of non-crystalline solids, 201(3), 1996, pp. 199-210
The glass transition of densely packed linear polymer chains has been
investigated by means of the three-dimensional bond-fluctuation model
including van der Waals interaction and bond-length potential. The com
puter simulations presented here are based on different chain-lengths,
cooling rates, and a wide range of temperatures. All monitored static
and dynamic properties of the polymer melt change distinctly at one c
haracteristic temperature, identified as T-g. Variations of the chain-
length from 50 up to 200 monomers per chain yield nearly identical beh
avior, while an increase of the cooling rate from Gamma(Q) = 2.7 x 10(
-8) MCS(-1) (Monte Carlo steps) to infinity causes pronounced differen
ces below T-g both in static and dynamic properties.