Analytic calculation of nucleation rates from a kinetic Monte Carlo simulation of flow induced crystallization in polymers

作者：Hamer Matthew J; Wattis Jonathan A D; Graham Richard S^*

来源：Journal of Non-Newtonian Fluid Mechanics, 2010, 165(19-20): 1294-1301.

DOI：10.1016/j.jnnfm.2010.06.012

• Polymer nucleation
• Flow induced crystallization
• Kinetic Monte Carlo

We present an analytically derived model for flow induced crystallization (FIC), based upon the recent Graham-Olmsted simulation. We use combinatorial techniques to calculate nucleation energy landscapes, which correctly predict simulation data. Applying both the analytic calculation and the simulation, we put forward a simple expression relating nucleation rate to polymer chain stretch. We also investigate bimodal blends, an important step to understanding polydisperse systems and eventually modeling industrial polymer melts.

• 出版日期2010-10