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Mapping the Structure–Property Space of Bimodal Polyethylene Using Response Surface Methods. Part 2: Experimental Investigation of Polymer Microstructure and Yield Estimations
Macromolecular Reaction Engineering ( IF 1.5 ) Pub Date : 2020-08-30 , DOI: 10.1002/mren.202000023
Paul J. DesLauriers 1 , Jeff S. Fodor 1 , Saeid Mehdiabadi 2 , Venugopal Hegde 2 , João B. P. Soares 2
Affiliation  

A proof of concept for a quick and easy determination of polymer microstructure and yield estimations made with dual catalyst systems through optimally designed experiments and response surface methodology has been experimentally established. Acceptable accuracy (predicted R2 > 0.9780) has been achieved on all the primary target responses (blend molar masses and short chain branching). These primary responses are further deconvoluted into underlying Flory distributions for resolution into component properties and subsequently modeled and predicted accurately (predicted R2 = 0.7440 to 0.9897) for a given set of polymerization conditions. These models are also used to explore their ability to be used for polymerization kinetics evaluation using uptake curves for yield responses. Reasonable predictive ability for yield estimation is also observed (predicted R2 = 0.9346). This methodology has the makings of a new simplified exploratory pathway for inexpensive kinetic investigation and product prediction for dual metallocene catalyst systems.

中文翻译:

使用响应面法绘制双峰聚乙烯的结构-性能空间图。第2部分:聚合物微观结构和产率估算的实验研究

实验上建立了通过优化设计的实验和响应面方法快速简便地确定双催化剂体系的聚合物微观结构和产率估算的概念证明。 在所有主要目标响应(混合摩尔质量和短链支化)上均达到了可接受的准确性(预测的R 2 > 0.9780)。将这些主要响应进一步反卷积为基础的Flory分布,以解析为组件属性,然后进行精确建模和预测(预测R 2 在给定的一组聚合条件下(= 0.7440至0.9897)。这些模型还用于探索其用于吸收率曲线的吸收曲线用于聚合动力学评估的能力。还观察到了合理的预测产量的预测能力(预测的R 2  = 0.9346)。该方法为双茂金属催化剂体系的廉价动力学研究和产物预测提供了新的简化探索途径。
更新日期:2020-08-30
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