We have used a very simple dynamic Monte Carlo approach to simulate polymer behavior in a 2-dimensional lattice. In this paper we show that the model is able to simulate all the basic features of crystallization and melting of real polymer crystals. Crystals of large polymer molecules can be obtained with a thickness which depends on the temperature of crystallization. We also demonstrate that the crystals melt in agreement with the Gibbs-Thompson equation, showing a strong influence of the rate of heating on the melting process. Furthermore thin crystals may thicken upon annealing: in adequate conditions. The results obtained may be used in the interpretation of scattering experiments on the crystallization of polymers.
Simulation of melting transitions in crystalline polymers
TOMA, LUCIO;
2000-01-01
Abstract
We have used a very simple dynamic Monte Carlo approach to simulate polymer behavior in a 2-dimensional lattice. In this paper we show that the model is able to simulate all the basic features of crystallization and melting of real polymer crystals. Crystals of large polymer molecules can be obtained with a thickness which depends on the temperature of crystallization. We also demonstrate that the crystals melt in agreement with the Gibbs-Thompson equation, showing a strong influence of the rate of heating on the melting process. Furthermore thin crystals may thicken upon annealing: in adequate conditions. The results obtained may be used in the interpretation of scattering experiments on the crystallization of polymers.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
