Polymerization Kinetics Study, Modeling and Predictive Control of Chemical Reactors

本研究方案的目标是开展聚合反应动力学、过程建模和聚合物反应器的非线性控制研究。研究活动的一部分将集中在实验研究氮氧化物介导的苯乙烯及其共聚单体聚合(NMP)，其基本特征是生成低相对分子质量的聚合物。学术界和工业界对这种特殊聚合的兴趣已经扩展到不同的领域：动力学研究、新型引发剂/烷氧基胺的设计和工业应用。开放文献表明，需要更多的动力学研究来进一步了解过程行为。我们的实验室配备了一个用于聚合动力学研究的安瓶实验装置和一个用于中试工艺开发的2L反应器容器。实验研究的目的是阐明这种特殊聚合的物理化学现象，并建立一个全面的动力学模型，该模型将用本研究收集的数据进行验证。将对聚合物样品进行表征，以揭示聚合物的分子量分布、链长和支化。过程建模将有助于解释实验结果，并揭示影响最终用途聚合物性质和聚合物结构链长的主要因素。经过数据验证的动力学模型也可用于改善聚合物反应器在连续和半连续模式下的运行。此外，动态建模的好处可以用来解决无法在线测量聚合物相对分子质量的问题，增强学术和工业层面的工艺设计和工艺控制。拟议的研究项目最终旨在促进瑞尔森在聚合物反应工程方面的创新和研究计划，并为加拿大工业培养高素质的人才。

The goal of this research proposal is to carry out studies on polymerization kinetics, process modeling and nonlinear control of polymer reactors. One part of the research activity will focus on studying experimentally nitroxide mediated polymerization (NMP) of styrene and its comonomers, which fundamental characteristics is to produce polymers with low molecular weights. Academic and industrial interests in this particular polymerization have expanded in different avenues: kinetics studies, design of new initiators/alkoxyamines and industrial applications. Open literature shows that more kinetics studies are required for further understanding of the process behavior. Our lab is equipped with an ampoule experimental set-up to carry out polymerization kinetics study and a 2L reactor vessel for pilot-plant process development. The purpose of the experimental investigation is to elucidate the physico-chemical phenomena of this particular polymerization and develop a comprehensive kinetic model that will be validated with the data collected in this study. Characterization of the polymer samples will be conducted to reveal the molecular weight distribution, chain length and branching of the polymer. The process modeling will help to interpret the experimental findings and reveal the main factors affecting the end-use polymer properties and chain length of polymer structures. Data-validated kinetic models can also be used to improve the operation of polymer reactors in continuous and semi-continuous modes. Further, the benefit of dynamic modeling can be employed to address the issue of unavailable online measurements of polymer molecular weight, enhance process design and process control at both the academic and industrial levels. The proposed research project is ultimately intended to promote innovation and a research program in polymer reaction engineering at Ryerson as well as train highly qualified personnel for Canadian industries.