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首页> 外文期刊>Macromolecular theory and simulations >Molecular Weight Distribution in Ring-Opening Polymerization of Propylene Oxide Catalyzed by Double Metal Complex: A Model Simulation
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Molecular Weight Distribution in Ring-Opening Polymerization of Propylene Oxide Catalyzed by Double Metal Complex: A Model Simulation

机译：双金属复合物催化环氧丙烷环开环聚合的分子量分布：模型模拟

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摘要

In the present work, method of moments is used to model the molecular weight distribution (MWD) of polypropylene glycol (PPG) produced with ring-opening polymerization of propylene oxide catalyzed by double metal complex (DMC), and an explicit expression about the polydispersity index (PDI) of PPG is obtained. The simulated results indicate that decreasing the initial concentration ratio of monomer to total chains (K-1) or increasing the rate constant ratio of chain transfer to propagation (K-2) leads to smaller PDI. Reducing the concentration of DMC can induce larger PDI. When the PPG's initial PDI (i.e., PDI of initiator) increases, PDI of the final PPG grows up linearly. However, with the increase of monomer conversion, PDI increases first and then decreases, that is, there is a critical conversion. The possible lack of chain transfer at the beginning of polymerization and the insufficient chain transfer caused by increased K-1, decreased concentration of catalyst, and decreased K-2 will cause larger PDI, namely, broad MWD.
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