Entropy of glassy polymer melts: Comparison between Gibbs-DiMarzio theory and simulation

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Abstract
We calculate the free energy of a model for a polymer melt in a computer simulation of the bond-fluctuation model and determine the entropy of the melt over a wide range of temperatures, including the region close to the glass transition. The results are compared with the Gibbs-DiMarzio theory, a theory by Flory for semiflexible polymers, and a modification of their theories due to Milchev. We can describe the data within the framework of the Flory theory with Milchev’s correction and discuss the consequences for the understanding of the glass transition. © 1996 The American Physical Society.