IF 3.4 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Jie Zhou, Zhen Liu, Zhihua Zhu, Zuoxiang Zeng and Li Sun
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引用次数: 0

摘要

在不同湿度(65-85% RH)和温度(20-40 °C)条件下,通过原位傅立叶变换红外光谱(FTIR)对聚氨酯(PUR)热熔胶受潮固化过程的时间动态进行了研究。2271 cm-1 处峰值强度的降低证实了聚氨酯开始受潮固化。数据显示,湿气固化反应的萌芽阶段符合一阶反应动力学。此外,随着环境湿度和温度的增加,聚氨酯受潮固化反应的速度明显加快。密度泛函理论(DFT)被用来研究附加水簇对 PUR 湿固化过程的影响。理论模型提出,这些额外的水分子催化了氢转移,从而促进了湿固化反应,这一发现与我们的经验观察结果相吻合。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

The kinetics of the polyurethane moisture curing reaction: a combined experimental and DFT mechanistic study†

The kinetics of the polyurethane moisture curing reaction: a combined experimental and DFT mechanistic study†

An examination of the temporal dynamics of the moisture curing process of polyurethane (PUR) hot melt adhesives under varied humidity (65–85% RH) and temperature (20–40 °C) was performed via in situ Fourier transform infrared (FTIR) spectroscopy. The commencement of the moisture curing for PUR was substantiated by a reduction in peak intensity at 2271 cm−1. The data revealed that the nascent phase of the moisture curing reaction aligns with the first-order reaction kinetics. Further, there was a noticeable acceleration in the rate of the PUR's moisture curing reaction with an increment in environmental humidity and temperature. Density functional theory (DFT) was harnessed to delve into the effects of additional water clusters on the PUR's moisture curing progression. The theoretical model proposed that these additional water molecules catalyzed the hydrogen transfer, thus bolstering the moisture curing reaction, a finding that corroborated with our empirical observations.

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来源期刊
Reaction Chemistry & Engineering
Reaction Chemistry & Engineering Chemistry-Chemistry (miscellaneous)
CiteScore
6.60
自引率
7.70%
发文量
227
期刊介绍: Reaction Chemistry & Engineering is a new journal reporting cutting edge research into all aspects of making molecules for the benefit of fundamental research, applied processes and wider society. From fundamental, molecular-level chemistry to large scale chemical production, Reaction Chemistry & Engineering brings together communities of chemists and chemical engineers working to ensure the crucial role of reaction chemistry in today’s world.
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