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

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
{"title":"Modeling of 1,6-Hexanediol Diacrylate Photopolymerization with Spatial Gradients and Film Shrinkage","authors":"Alaa El Halabi,&nbsp;Anh-Duong Dieu Vo,&nbsp;Kaveh Abdi,&nbsp;Piet D. Iedema,&nbsp;Kimberley B. McAuley","doi":"10.1002/mren.202400038","DOIUrl":null,"url":null,"abstract":"<p>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<sup>−2</sup>). 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.</p>","PeriodicalId":18052,"journal":{"name":"Macromolecular Reaction Engineering","volume":"19 1","pages":""},"PeriodicalIF":1.8000,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/mren.202400038","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Macromolecular Reaction Engineering","FirstCategoryId":"5","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/mren.202400038","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0

Abstract

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.

Abstract Image

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
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信