不等活性AA-BB型缩聚反应动力学的MonteCarlo模拟

Monte Carlo Simulation of the Kinetics of AA-BB Type Condensation Polymerization of Unequal Functional Group Reactivity

采用MonteCarlo方法模拟了不等活性的AA -BB型缩聚反应的数均分子量随时间演化的动力学行为 ,并在模拟中首次考虑了逆反应 ,模拟结果与实验结果吻合得很好 ,从而合理地解释了聚芳醚腈砜 (PENS)

Monte Carlo method for studying the kinetics of AA-BB type condensation polymerization of unequal functional group reactivity is presented in this paper. By using this method we simulate the evolution of M n of the synthetic reaction of poly(arylene ether intrile sulfone)s (PENS), and for the first time introduce the reverse reaction into the simulation. The results obtained from the simulation are in good agreement with the experimental results, so that we explain feasonably why the kinetics curve slide from line rule in the original and final stage of the synthetic reaction.