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Experimental and Modeling Investigations of Aqueous-Phase Radical Copolymerization of 2-(Methacryloyloxyethyl)trimethylammonium Chloride with Acrylic Acid
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2020-02-17 , DOI: 10.1021/acs.iecr.9b06954 Ikenna H. Ezenwajiaku 1 , Rachel Zigelstein 1 , Anna Chovancová 2 , Igor Lacík 2 , Robin A. Hutchinson 1
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2020-02-17 , DOI: 10.1021/acs.iecr.9b06954 Ikenna H. Ezenwajiaku 1 , Rachel Zigelstein 1 , Anna Chovancová 2 , Igor Lacík 2 , Robin A. Hutchinson 1
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The kinetics of batch aqueous-phase solution radical copolymerization of an ionizable monomer acrylic acid (AA) with a cationic monomer 2-(methacryloyloxyethyl)trimethylammonium chloride (TMAEMC) to produce polyelectrolytes is investigated using in situ NMR to follow both overall monomer conversion and comonomer composition. The rate of monomer consumption was dependent on the initial weight fraction of monomer, varied between 0.05 and 0.40, and initial comonomer composition. The unreacted monomer is depleted in TMAEMC with increasing conversion for polymerizations conducted with an initial TMAEMC molar fraction of less than 90%. AA was preferentially incorporated above this level, with the azeotropic behavior dependent on the total monomer concentration in the aqueous solution. Semibatch copolymerizations demonstrate that a constant copolymer composition can be obtained under specific experimental conditions. A model of AA–TMAEMC copolymerization is formulated that predicts polymerization rates and average polymer molar masses, as well as captures the influence of counterion concentration on copolymer composition.
中文翻译：
2-（甲基丙烯酰氧乙基）三甲基氯化铵与丙烯酸的水相自由基共聚合实验与模型研究
使用原位NMR研究了可电离单体丙烯酸（AA）与阳离子单体2-（甲基丙烯酰氧基乙基）三甲基氯化铵（TMAEMC）的间歇水溶液自由基共聚反应的动力学，该反应使用原位NMR追踪整体单体转化率和共聚单体组成。单体消耗的速率取决于单体的初始重量分数（介于0.05和0.40之间）以及初始共聚单体组成。对于以小于90％的初始TMAEMC摩尔分数进行的聚合，未反应的单体在TMAEMC中被耗尽，转化率增加。优选将AA加入到该水平以上，其共沸行为取决于水溶液中总单体浓度。半间歇共聚合表明，可以在特定的实验条件下获得恒定的共聚物组成。建立了AA–TMAEMC共聚模型，该模型可预测聚合速率和平均聚合物摩尔质量，并捕获抗衡离子浓度对共聚物组成的影响。
更新日期：2020-02-17
中文翻译：
2-（甲基丙烯酰氧乙基）三甲基氯化铵与丙烯酸的水相自由基共聚合实验与模型研究
使用原位NMR研究了可电离单体丙烯酸（AA）与阳离子单体2-（甲基丙烯酰氧基乙基）三甲基氯化铵（TMAEMC）的间歇水溶液自由基共聚反应的动力学，该反应使用原位NMR追踪整体单体转化率和共聚单体组成。单体消耗的速率取决于单体的初始重量分数（介于0.05和0.40之间）以及初始共聚单体组成。对于以小于90％的初始TMAEMC摩尔分数进行的聚合，未反应的单体在TMAEMC中被耗尽，转化率增加。优选将AA加入到该水平以上，其共沸行为取决于水溶液中总单体浓度。半间歇共聚合表明，可以在特定的实验条件下获得恒定的共聚物组成。建立了AA–TMAEMC共聚模型，该模型可预测聚合速率和平均聚合物摩尔质量，并捕获抗衡离子浓度对共聚物组成的影响。
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