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Precipitation Copolymerization of Vinyl-imidazole and Vinyl-pyrrolidone, 2 - Kinetic Model~a

机译:乙烯基咪唑和乙烯基吡咯烷酮的沉淀共聚,2-动力学模型〜a

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摘要

A mathematical model simulating the precipitation polymerization of vinyl-imidazole (VI) and vinyl-pyrrolidone (VP) in organic solvent is developed. Free radical polymerization can occur in two phases: the continuous solvent rich one and the dispersed polymer-rich one. The relevance of each reaction locus has been identified by comparing the simulation results of a reduced version of the comprehensive model of precipitation polymerization developed in this work to the experimental data of cumulative copolymer composition. It is found that the interphase transport of active chains between the two phases is negligible. Consequently, due to the equilibrium partitioning of monomers and initiator largely in favor of the dispersed phase, the polymer chains are mainly produced in the polymer-rich phase. Finally, the comprehensivemodel including the population balance equations for active and dead polymer chains is discussed, which allows describing the complete molecular weight distribution (MWD) of the final product. This way, a further confirmation of the dominance of the precipitated phase as main reaction locus is provided.
机译:建立了模拟有机溶剂中乙烯基咪唑(VI)和乙烯基吡咯烷酮(VP)沉淀聚合的数学模型。自由基聚合可以分为两个阶段:连续的富溶剂阶段和分散的富聚合物阶段。通过将这项工作中开发的沉淀聚合综合模型的简化版本的模拟结果与累积共聚物组成的实验数据进行比较,可以确定每个反应源的相关性。发现两相之间的活性链的相间传输是微不足道的。因此,由于单体和引发剂的平衡分配在很大程度上有利于分散相,因此聚合物链主要在富含聚合物的相中产生。最后,讨论了包含活性和死聚合物链的总体平衡方程的综合模型,该模型可以描述最终产品的完整分子量分布(MWD)。这样,进一步证实了沉淀相作为主要反应源的优势。

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  • 来源
    《Macromolecular reaction engineering》 |2011年第10期|p.501-517|共17页
  • 作者单位

    Chemistry and Applied Biosciences, Institute for Chemical and Bioengineering, ETH Zurich, 8093 Zurich, Switzerland;

    Chemistry and Applied Biosciences, Institute for Chemical and Bioengineering, ETH Zurich, 8093 Zurich, Switzerland;

    Chemistry and Applied Biosciences, Institute for Chemical and Bioengineering, ETH Zurich, 8093 Zurich, Switzerland;

    BASF SE, GKE/M-B001, 67056 Ludwigshafen, Germany;

    BASF SE, GKE/M-B001, 67056 Ludwigshafen, Germany;

    Chemistry and Applied Biosciences, Institute for Chemical and Bioengineering, ETH Zurich, 8093 Zurich, Switzerland;

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