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运用Monte Carlo法,模拟D,L-丙交酯(DLLA)与L-丙交酯(LLA)共聚体系,在不同投料比情况下的立体化学构型,计算了两种立体异构体在共聚高分子链中所占的比例,与各种异构体序列的长度分布;计算了轮数R;分析了竞聚率r和投料比p对DLLA-LLA共聚物的立体化学结构的影响,发现r直接影响立体异构序列的交替程度;计算了共聚链上四单元组和六单元组的含量,引用文献提供的13C NMR谱图进行验证;研究了共聚组成、重均序列长度等模拟结果与某些物性实验数据之间的关系,发现共聚物的结晶速率和一定范围内的重均序列长度有关。
Monte Carlo method was used to simulate the stereochemical configuration of D, L-lactide (DLLA) and L-lactide (LLA) copolymerization system at different feed ratios. The effects of the two stereoisomers on the copolymerization The proportion of polymer chains and the length distribution of the various isomer sequences were calculated. The number of rounds R was calculated. The influence of the reactivity ratio r and the feed ratio p on the stereochemical structure of the DLLA-LLA copolymer was analyzed. r directly affects the degree of alternation of the stereoisomeric sequences; the content of quaternary and hexad units on the copolymerization chain is calculated, and the 13C NMR spectra provided in the literature are used for validation; the simulation results such as copolymerization composition and weight-average sequence length Some physical properties of experimental data and found that the crystallization rate of the copolymer and a certain range of weight-average sequence length.