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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]
Copyright of Canadian Journal of Chemical Engineering is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
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  Data: Modelling of continuous low‐temperature emulsion co‐polymerization in 3D‐printed reactor.
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  Data: <searchLink fieldCode="AR" term="%22Issa%2C+Ferel%22">Issa, Ferel</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Reinbeck%2C+Andreas%22">Reinbeck, Andreas</searchLink><relatesTo>2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zentel%2C+Kristina+M%2E%22">Zentel, Kristina M.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> kristina.zentel@pre.tu-darmstadt.de</i>
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  Data: <searchLink fieldCode="JN" term="%22Canadian+Journal+of+Chemical+Engineering%22">Canadian Journal of Chemical Engineering</searchLink>. Jul2026, Vol. 104 Issue 7, p3692-3713. 22p.
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  Data: <searchLink fieldCode="DE" term="%22Polymerization+kinetics%22">Polymerization kinetics</searchLink><br /><searchLink fieldCode="DE" term="%22Continuous+flow+reactors%22">Continuous flow reactors</searchLink><br /><searchLink fieldCode="DE" term="%22Acrylates%22">Acrylates</searchLink><br /><searchLink fieldCode="DE" term="%22Emulsion+polymerization%22">Emulsion polymerization</searchLink><br /><searchLink fieldCode="DE" term="%22Particle+size+distribution%22">Particle size distribution</searchLink><br /><searchLink fieldCode="DE" term="%22Styrene%22">Styrene</searchLink><br /><searchLink fieldCode="DE" term="%22Polymerization+reactors%22">Polymerization reactors</searchLink><br /><searchLink fieldCode="DE" term="%22Oxidation-reduction+reaction%22">Oxidation-reduction reaction</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: 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]
– Name: AbstractSuppliedCopyright
  Label:
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  Data: <i>Copyright of Canadian Journal of Chemical Engineering is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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        Value: 10.1002/cjce.70198
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      – Code: eng
        Text: English
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        PageCount: 22
        StartPage: 3692
    Subjects:
      – SubjectFull: Polymerization kinetics
        Type: general
      – SubjectFull: Continuous flow reactors
        Type: general
      – SubjectFull: Acrylates
        Type: general
      – SubjectFull: Emulsion polymerization
        Type: general
      – SubjectFull: Particle size distribution
        Type: general
      – SubjectFull: Styrene
        Type: general
      – SubjectFull: Polymerization reactors
        Type: general
      – SubjectFull: Oxidation-reduction reaction
        Type: general
    Titles:
      – TitleFull: Modelling of continuous low‐temperature emulsion co‐polymerization in 3D‐printed reactor.
        Type: main
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            NameFull: Issa, Ferel
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            NameFull: Reinbeck, Andreas
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            NameFull: Zentel, Kristina M.
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            – D: 01
              M: 07
              Text: Jul2026
              Type: published
              Y: 2026
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