高聚物非等温结晶过程的Monte Carlo法模拟

Monte Carlo simulation of nonisothermal crystallization of polymers

采用MonteCarlo方法模拟高聚物非等温结晶过程,获得PET试样在从熔体降温过程中相对结晶度随时间的变化曲线.通过MonteCarlo方法模拟曲线与DSC实验值的对比,发现通过调整结晶的起始温度和晶核数目可以使模拟曲线与实验值具有很好的一致性,表明所建模型正确,并为获取体系中晶核的数目和结晶起始温度奠定了基础.

The nonisothermal crystallization of polymer was investigated by using the Monte Carlo simulation method. The curves of the relative degree of crystallinity versus time were arrived. The results show that simulation curve can be kept a good coincidence with the DSC curve by adjusting the number of the nuclei and the temperature at which crystallization begins to occur. From Monte Carlo simulation, the parameters that can not be directly obtained from DSC curve can be obtained.