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采用Monte Carlo模拟计算方法、可视化编程语言Visual Basic,以研究非稳态、考虑前末端效应、聚合反应可逆等情况下二元自由基共聚合反应,以期得到共聚物的瞬时组成、组成分布、序列分布等决定共聚物效能的重要参数。以数值模拟代替实际实验,不仅可节约成本,而且可减少工作量。模拟结果显示,Monte Carlo模拟值与实验值符合较好,说明本模拟过程模拟效果较好,结果可靠,可用来模拟未知共聚合体系,并为实际共聚物的合成提供帮助。
Using Monte Carlo simulation method and visual programming language Visual Basic to study the instability, taking into account the front-end effect, the reversible polymerization reaction under the conditions of binary radical copolymerization reaction, in order to obtain the instantaneous composition of the copolymer, composition distribution, sequence Distribution and other important parameters to determine the effectiveness of the copolymer. Replacing the actual experiment with numerical simulation not only saves the cost, but also reduces the workload. The simulation results show that the Monte Carlo simulation results are in good agreement with the experimental ones, which shows that the simulation process has good simulation results and reliable results, which can be used to simulate unknown copolymerization system and help to synthesize the practical copolymer.