Safety risk investigation of trace moisture on solvent-free polyurethane synthesis reaction

IF 5.9 3区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Industrial and Engineering Chemistry Pub Date : 2024-11-23 DOI:10.1016/j.jiec.2024.11.019

Ruixiang Zhou , Weilong Li , Jiayi Li , Jiwen Hu , Xuefeng Gui , Yonglu Dong , Hongcai Yang , Xiaohua Huang , Shudong Lin

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Abstract

Polyurethane materials are widely used, yet their thermal hazards remain underexplored. This study investigates the solvent-free polyaddition of hexamethylene diisocyanate (HDI) and hydroxyethyl acrylate (HEA) under trace moisture conditions. Titration results showed that moisture significantly reduces the reaction rate, while Karl Fischer titration confirmed effective moisture removal using molecular sieves. NMR and FTIR revealed that dehydration enhances isocyanate electrophilicity and hydroxyl nucleophilicity, accelerating the reaction. DSC indicated that moisture induces additional exothermic peaks due to side reactions, and ARC testing showed elevated initial temperatures and reduced adiabatic temperature rise. A kinetic model revealed a consistent reaction order of 0.8, regardless of moisture. T_D8 and T_D24 were predicted, and a risk matrix assessed the thermal hazards. This study provides essential guidance for the safe and efficient development of novel eco-friendly polyurethane formulations and offers valuable insights for large-scale industrial safety.

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聚氨酯材料被广泛使用，但对其热危害的研究仍然不足。本研究探讨了在微量水分条件下，六亚甲基二异氰酸酯（HDI）和丙烯酸羟乙酯（HEA）的无溶剂聚合反应。滴定结果表明，水分大大降低了反应速率，而卡尔费休滴定法证实了使用分子筛可以有效去除水分。核磁共振和傅立叶变换红外光谱显示，脱水增强了异氰酸酯的亲电性和羟基的亲核性，从而加速了反应。DSC 显示，由于副反应，水分会引起额外的放热峰，ARC 测试显示初始温度升高，绝热温升降低。动力学模型显示，无论湿度如何，反应顺序均为 0.8。预测了 TD8 和 TD24，风险矩阵评估了热危害。这项研究为安全高效地开发新型环保聚氨酯配方提供了重要指导，并为大规模工业安全提供了宝贵的见解。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Industrial and Engineering Chemistry 工程技术-工程：化工

CiteScore

10.40

自引率

6.60%

发文量

639

审稿时长

29 days

期刊介绍： Journal of Industrial and Engineering Chemistry is published monthly in English by the Korean Society of Industrial and Engineering Chemistry. JIEC brings together multidisciplinary interests in one journal and is to disseminate information on all aspects of research and development in industrial and engineering chemistry. Contributions in the form of research articles, short communications, notes and reviews are considered for publication. The editors welcome original contributions that have not been and are not to be published elsewhere. Instruction to authors and a manuscript submissions form are printed at the end of each issue. Bulk reprints of individual articles can be ordered. This publication is partially supported by Korea Research Foundation and the Korean Federation of Science and Technology Societies.