甲基丙烯酸甲酯聚合动力学和分子量模型及仿真

考虑甲基丙烯酸甲酯聚合过程中体积收缩，反应物和生成物的浓度变化，以及由于凝胶、玻璃化和笼闭等效应对各速率常数和物性参数的影响，从基元反应和物料平衡出发，推导了半间歇，有链转移剂参与情况下的聚合动力学和分子量模型。用模型仿真计算了聚合温度、引发剂、溶剂和链转移剂的种类和浓度等对甲基丙烯酸甲酯聚合动力学和聚合过程中分子量变化的影响规律，并与实验和文献数据进行比较。

Kinetics and Molecular Weight Models and Simulation for Methyl Methacrylate Polymerization

The volume contraction, changing of reactant and resultant, and the effects of gel, glass and cage effects on the rate constants and physical properties in the methyl methacrylate polymerization process are considered. On the basis of the elementary reactions and the species mass balance, novel kinetic and molecular weight models for methyl methacrylate semi-batch polymerization with the participation of chain transfer agent and new materials addition flow rate are presented. Using the presented models, the effects of temperature, initiator concentration and type, monomer or solvent concentration and type, and chain transfer agent concentration and type on the kinetics of methyl methacrylate polymerization and molecular weight of polymer are simulated. Experimental and literature data of kinetics and molecular weight are compared with the simulation results to examine the presented models.