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对高浓度高分子系统的 Monte Carlo模拟算法和高分子链的微松驰模式进行了分析比较 ,采用键长涨落模型空穴扩散算法对无热高分子系统的平均末端距和对称共聚高分子系统的微观相结构进行了模拟 ,发现去除或保留中间链节蛇行运动 ,得到的模拟结果有一定的差别。去除该运动模式得到的平均末端距、标度指数及共聚高分子系统的微观层状结构的层间距要比保留该运动模式的大 ,表明中间链节的蛇行运动会导致高分子链的过分收缩。
The Monte Carlo simulation algorithm of polymer system with high concentration and the micro-relaxation mode of polymer chain were analyzed and compared. The average terminal distance of the non-thermal polymer system and the symmetric copolymerization polymer The microstructure of the system was simulated and it was found that there was a certain difference between the simulation results obtained when removing or retaining the meandering of intermediate links. The average tip distance, scale index, and interlamellar spacing of the microstructured macromolecular system obtained by removing this mode of motion are larger than those of the mode of retaining this mode of motion, indicating that the serpentine motion of the intermediate links results in excessive shrinkage of the polymer chains.