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Modelling of continuous low‐temperature emulsion co‐polymerization in 3D‐printed reactor.

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Title: Modelling of continuous low‐temperature emulsion co‐polymerization in 3D‐printed reactor.
Authors: Issa, Ferel1 (AUTHOR), Reinbeck, Andreas2 (AUTHOR), Zentel, Kristina M.1 (AUTHOR) kristina.zentel@pre.tu-darmstadt.de
Source: Canadian Journal of Chemical Engineering. Jul2026, Vol. 104 Issue 7, p3692-3713. 22p.
Subjects: Polymerization kinetics, Continuous flow reactors, Acrylates, Emulsion polymerization, Particle size distribution, Styrene, Polymerization reactors, Oxidation-reduction reaction
Abstract: This study presents a kinetic model of the low‐temperature emulsion copolymerization of butyl acrylate and styrene, initiated by a TBHP/ASAc/Fe redox system. This redox initiating system has the advantage of starting the reaction at low temperatures all the way down to room temperature (25°C). This also enables the production of very small latex particles with diameters down to 35 nm. The model was developed using Predici 11 as first principles model and incorporates the kinetics of free‐radical copolymerization. This model can predict the behaviour of the investigated system with regard to monomer conversion (up to 100%), particle size, particle number, and molecular weight distributions. It can also predict other properties such as the composition of the different phases during the polymerization (i.e., in the aqueous phase, the polymer phase, and the droplet phase). All these parameters are described by the model in both batch and continuous reactors. To validate the model, experimental data obtained from batch and 3D‐printed tubular reactors was collected and compared with the predicted values. Expanding the model to include emulsion description in continuous reactors increases its range of applications. Comparing the simulated and experimental results in terms of monomer conversion, particle size, and molecular weight distribution showed reasonable agreement. Discrepancies in continuous operation could be caused by non‐ideal reactor hydrodynamics. The proposed first‐principles model thus provides a reliable tool for the development and optimization of emulsion copolymerization processes in both batch and continuous operating modes by predicting key reaction outcomes. [ABSTRACT FROM AUTHOR]
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Database: Engineering Source
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Abstract:This study presents a kinetic model of the low‐temperature emulsion copolymerization of butyl acrylate and styrene, initiated by a TBHP/ASAc/Fe redox system. This redox initiating system has the advantage of starting the reaction at low temperatures all the way down to room temperature (25°C). This also enables the production of very small latex particles with diameters down to 35 nm. The model was developed using Predici 11 as first principles model and incorporates the kinetics of free‐radical copolymerization. This model can predict the behaviour of the investigated system with regard to monomer conversion (up to 100%), particle size, particle number, and molecular weight distributions. It can also predict other properties such as the composition of the different phases during the polymerization (i.e., in the aqueous phase, the polymer phase, and the droplet phase). All these parameters are described by the model in both batch and continuous reactors. To validate the model, experimental data obtained from batch and 3D‐printed tubular reactors was collected and compared with the predicted values. Expanding the model to include emulsion description in continuous reactors increases its range of applications. Comparing the simulated and experimental results in terms of monomer conversion, particle size, and molecular weight distribution showed reasonable agreement. Discrepancies in continuous operation could be caused by non‐ideal reactor hydrodynamics. The proposed first‐principles model thus provides a reliable tool for the development and optimization of emulsion copolymerization processes in both batch and continuous operating modes by predicting key reaction outcomes. [ABSTRACT FROM AUTHOR]
ISSN:00084034
DOI:10.1002/cjce.70198