1,6-己二醇二丙烯酸酯光聚合的空间梯度和薄膜收缩建模

IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL
Alaa El Halabi, Anh-Duong Dieu Vo, Kaveh Abdi, Piet D. Iedema, Kimberley B. McAuley
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Modeling of 1,6-Hexanediol Diacrylate Photopolymerization with Spatial Gradients and Film Shrinkage

Modeling of 1,6-Hexanediol Diacrylate Photopolymerization with Spatial Gradients and Film Shrinkage

A dynamic model is proposed to account for shrinkage and swelling during the photopolymerization of 1,6-hexanediol diacrylate (HDDA) with the bifunctional initiator bis-acylphosphine oxide (BAPO) in the presence of oxygen. The model is composed of 14 partial differential equations (PDEs) that are used to track changes in film thickness along with time- and spatially-varying concentrations of monomer, initiator, oxygen, pendant vinyl groups, and seven types of radicals. Shrinkage has a noticeable influence on the model predictions. For a variety of simulated photopolymerization experiments, there is ≈9% discrepancy between predicted overall vinyl-group conversions obtained from the current model with shrinkage and a previous model without. Prediction discrepancies become larger for simulated experiments involving thin films (8 µm) or low light intensities (1200 W m−2). In the future, it will be important to re-estimate the kinetic parameters used in the shrinkage model to obtain accurate model predictions for use in process improvement studies.

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来源期刊
Macromolecular Reaction Engineering
Macromolecular Reaction Engineering 工程技术-高分子科学
CiteScore
2.60
自引率
20.00%
发文量
55
审稿时长
3 months
期刊介绍: Macromolecular Reaction Engineering is the established high-quality journal dedicated exclusively to academic and industrial research in the field of polymer reaction engineering.
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