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Terpolymerization of Triisopropylsilyl Acrylate, Methyl Methacrylate, and Butyl Acrylate: Reactivity Ratio Estimation
Macromolecular Reaction Engineering ( IF 1.8 ) Pub Date : 2019-06-05 , DOI: 10.1002/mren.201900014
Fereshteh K. Yousefi 1 , Ali Jannesari 1 , Shahla Pazokifard 2 , Mohammad Reza Saeb 1 , Alison J. Scott 3 , Alexander Penlidis 3
Affiliation  

Ternary monomer reactivity ratios of triisopropylsilyl acrylate (SiA), methyl methacrylate (MMA), and n‐butyl acrylate (BA), as common monomers in self‐polishing coatings (SPCs) binders are obtained using experimental data collected from free radical bulk polymerization at 70 °C. Different terpolymerizations at low and medium‐high conversions are performed at optimized feed compositions. Estimations are made using the error‐in‐variables model (EVM) framework, applying the recast form of the Alfrey–Goldfinger (AG) model and a direct numerical integration (DNI) approach to the collected data. Estimations from individual low and medium‐high conversion data are compared to those found with the combined data (full conversion range data). The highest certainty in point estimates are obtained with analysis of the full conversion range data. Furthermore, the reactivity ratios determined from the combined data fall between those found with analysis of individual low and medium‐high conversion data, another corroboration of reliable data collection. Reactivity ratios determined from analysis of the combined data (rSiA/MMA = 0.4185, rMMA/SiA = 1.3754, rSiA/BA = 0.8739, rBA/SiA = 0.5736, rBA/MMA = 0.3692, rMMA/BA = 1.7919) are used in the recast AG model to predict cumulative terpolymer composition as a function of conversion. The experimental data and model prediction show satisfactory agreement.

中文翻译:

丙烯酸三异丙酯甲硅烷基酯,甲基丙烯酸甲酯和丙烯酸丁酯的三元聚合:反应率估算

丙烯酸三异丙基甲硅烷基酯(SiA),甲基丙烯酸甲酯(MMA)和n的三元单体反应率丙烯酸丁酯(BA)作为自抛光涂料(SPC)粘合剂中的常见单体,是使用在70°C下从自由基本体聚合中收集的实验数据获得的。在优化的进料组成下,在低和中高转化率下进行不同的三元聚合。使用变量误差模型(EVM)框架进行估计,对收集的数据应用Alfrey–Goldfinger(AG)模型的重铸形式和直接数值积分(DNI)方法。将来自各个低转换率和中转换率的数据的估算值与组合数据(完整的转换范围数据)的估算值进行比较。通过对整个转换范围数据进行分析,可以获得最高的点估计确定性。此外,根据合并数据确定的反应率介于分析单个低转换率和中转换率的数据之间,这是可靠数据收集的另一佐证。通过分析合并数据确定的反应率(ř SIA / MMA = 0.4185,- [R MMA / SIA = 1.3754,- [R SIA / BA = 0.8739,- [R BA / SIA = 0.5736,- [R BA / MMA = 0.3692,- [R MMA / BA = 1.7919)在重铸AG模型来使用预测累积三元共聚物组成随转化率的变化。实验数据和模型预测表明令人满意的一致性。
更新日期:2019-06-05
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