Bringing the On‐Line Control and Optimization of Semibatch Emulsion Copolymerization to the Pilot Plant

Abstract

Due to hardening competition and increased focus on resource efficiency, efforts are made to develop advanced industrial optimization and control systems with the goal to shift the (semi‐)batch production from recipe‐based to a state‐based approach. This study illustrates the steps needed for the implementation of optimization and on‐line control of semibatch emulsion copolymerization involving the development of process model, its validation and connection with control software, and the realization at pilot plant scale. The process model must be fast and robust enough to provide estimation of the process trajectory reliably and quickly. Moreover, in connection with nonlinear model predictive control (NMPC), the model has to be able to learn from the process and to update parameter values in real time, e.g., due to change of reactor jacket heat transfer. The Cybernetica CENIT software is employed for NMPC. The industrial pilot‐scale semibatch emulsion copolymerization of four comonomers (two of them water soluble) is used for the demonstration of NMPC functionality for: (i) reactor temperature control, (ii) minimization of batch time while preserving product quality, and (iii) minimization of batch duration with desired simultaneous shift in product quality.

How to Fight Kinetics in Complex Radical Polymerization Processes: Theoretical Case Study of Poly(divinyl ether‐alt‐maleic anhydride)

“…Diffusion factors were taken into account as some addition reactions in the DVEMAN copolymerization were found to be low barrier . Diffusion effects were explored via the coupled encounter pair model that was found to be applicable for rough estimation of diffusion in polymerization processes . The coupled encounter pair model considers that, in order for chemical equilibrium to be established, a series of resistances need to be overcome, both in the forward and in the backward direction.…”

“…Recent progress in different modeling techniques amplified with development of computational resources and methods and in conjunction with experimental field advancements enabled theoretical investigation of polymerization on different scale, for example, polymer molecular scale or micro‐, meso‐, and macroscales . Application of the modeling methods to the investigation of regulation factors of structural and stereoisomerism of DVEMAN is a novel area that can give necessary theoretical ground for applied research.…”

Studying Reactivity Relationships of Copolymers N-naphthylacrylamide with (Acrylicacid and Methylacrylate)

“…Conventional techniques for evaluating monomer reactivity ratios depend on, first, changing the momentary copolymer composition equation into a frame that is straight in the parameters r 1 and r 2 and after that assessing the monomer reactivity ratios by graphical plotting or by the direct minimum squares technique. Linearization of the copolymer composition condition will contort the blunder dispersions related with the information (17,18,19). The aims of this work are to synthesize a new monomer (NAA) then copolymerized with different monomers (AA and MA).…”

Multiscale modeling of poly(lactic acid) production: From reaction conditions to rheology of polymer melt

“…Motivated by recent advances in the online monitoring and model-based control of industrial polymerization processes [48,49,50], we aim at the development of robust and computationally efficient model of L,L-lactide ring opening polymerization for a potential use as a soft sensor for product MMD and melt viscosity in off-line and on-line optimization of the industrial production of PLA. For this purpose we define a hybrid modular framework which is based on data flow between (i) macro-scale batch reactor model [21], micro-scale hybrid Monte Carlo (MC) simulation of the process, and (iii) a tool for estimation of rheological properties of polymer melt with general branch-on-branch molecular architecture [51].…”