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Accounting for Spatial Variations during Photopolymerization of 1,6-hexane-diol Diacrylate in the Presence of Oxygen
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  • Alaa El Halabi,
  • Kaveh Abdi,
  • Anh-Duong Vo,
  • Ardalan Ebrahimzadeh,
  • Jasper van den Hoek,
  • Luuk van der Velden,
  • Robin Willemse,
  • Marjolein van der Linden,
  • Piet Iedema,
  • Kimberley McAuley
Alaa El Halabi
Queen's University
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Kaveh Abdi
Queen's University Faculty of Engineering and Applied Science
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Anh-Duong Vo
Queen's University
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Ardalan Ebrahimzadeh
Canon Production Printing Netherlands BV
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Jasper van den Hoek
Canon Production Printing Netherlands BV
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Luuk van der Velden
Canon Production Printing Netherlands BV
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Robin Willemse
Canon Production Printing Netherlands BV
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Marjolein van der Linden
Canon Production Printing Netherlands BV
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Piet Iedema
University of Amsterdam
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Kimberley McAuley
Queen's University

Corresponding Author:[email protected]

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Abstract

A dynamic model is proposed for photopolymerization of 1,6-hexane-diol diacrylate (HDDA) with bifunctional initiator bis-acylphosphine oxide (BAPO) in the presence of oxygen. This partial-differential-equation (PDE) model predicts time- and spatially-varying vinyl-group conversion as well as concentrations of monomer, initiator, oxygen, and seven types of radicals. Experiments to obtain diffusivities of oxygen, BAPO and HDDA are reported. Oxygen-related parameters are estimated using real-time Fourier-transform infrared (FTIR) conversion data. FTIR experiments were conducted using a range of film thicknesses (8-17 μm), BAPO levels (1-4 wt%) and light intensities (200-6000 W/m^2). The model predicts qualitative trends. Conversion predictions for runs with high intensities (≥5000 W/m^2) and high BAPO (4 wt%) are accurate with a root-mean-squared error (RMSE) of 0.04. Larger RMSE (0.13) for runs with lower intensities and BAPO indicates that improved parameter estimates are required. Parameter estimates will be updated using in future using a model that accounts for shrinkage during polymerization.
03 Jul 2024Published in AIChE Journal. https://doi.org/10.1002/aic.18490