Process Model for Styrene and n-Butyl Acrylate Emulsion Copolymerization in Smart-Scale Tubular Reactor

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• 作者：Richard Pokorny ; Alexandr Zubov ; Petr Matu?ka ; Fabian Lueth ; Werner Pauer ; Hans-Ulrich Moritz ; Juraj Kosek
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2016
• 出版时间：January 20, 2016
• 年：2016
• 卷：55
• 期：2
• 页码：472-484
• 全文大小：596K
• ISSN：1520-5045

文摘

Real-time optimization-based control methodologies in emulsion (co)polymerization allow achievement of a significant intensification of the process and increase of the product quality. This paper describes the development of the fast and computationally simple process model of continuous styrene and n-butyl acrylate emulsion copolymerization for use in nonlinear model predictive control (NMPC) of a smart-scale tubular reactor. The model predictions agree well with experimental data for monomer conversion, copolymer composition, temperature profile, average particle size, and number-average molecular weight. To account for the slower reaction rate at the beginning of the reaction, the model incorporates a thermodynamic description of comonomer partitioning between particle, water, and droplet phases based on Morton equations. For the purpose of the process model, a simple empirical function representing the solution of Morton partitioning was implemented. The number concentration of particles was estimated from measured monomer conversion profiles, as the predictions by first-principle nucleation models generally provide values substantially different from experiments. After the model incorporation into a framework for online state estimation and control, it will be used for open- and closed-loop control of the smart-scale tubular reactor.