Stochastic simulation for morphological development during the isothermal crystallization of semicrystalline polymers: A case study of syndiotactic polypropylene

A stochastic simulation scheme for predicting morphological development during nucleation and subsequent crystal growth based on predetermined crystallization kinetic data of a semicrystalline polymer under quiescent isothermal conditions is proposed. Based on previously obtained crystallization kinetic data for syndiotactic polypropylene (s‐PP) used as the input information, the simulation scheme was successful in predicting the morphological development of s‐PP during isothermal crystallization from the melt state. The predicted development of crystallinity during crystallization was reanalyzed with the Avrami macrokinetic model, and good agreement between the predicted and theoretical values for s‐PP was observed. On the basis of this simulation scheme, both the spherulite size and its distribution during the course of crystallization could also be predicted. Although the spherulitic growth rate influenced both the spherulite size and its distribution during the course of crystallization, it had no effect on the final spherulitic morphology or the resulting average spherulitic size. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2009