苯基异氰酸酯
拉曼光谱
动力学
化学
傅里叶变换红外光谱
化学动力学
反应机理
光谱学
物理化学
分析化学(期刊)
催化作用
有机化学
化学工程
物理
量子力学
光学
工程类
作者
Lifeng Xu,Chi Li,K. Y. Simon Ng
摘要
Reactions of 2-propanol, 2-butanol, 2-pentanol, 2-hexanol, and 2-octanol with phenylisocyanate were monitored by FTIR and Raman spectroscopy. The results show that Raman spectroscopy is as effective as FTIR spectroscopy in following urethane reaction kinetics. The activation energies calculated are 10.0, 10.5, 11.9, 12.8, and 14.8 (kcal/mole) for 2-propanol, 2-butanol, 2-pentanol, 2-hexanol, and 2-octanol reacting with phenylisocyanate without catalyst, respectively. The steric hindrance effects of primary, secondary, and tertiary butanol with phenylisocyanate reaction kinetics were observed. The initial reaction rates of these alcohol systems have a typical ratio of 1:0.3:0.1, respectively. The reaction kinetics simulation, based on a simple kinetics model, fits reasonably well with experimental data obtained by Raman spectroscopy. This agreement further demonstrates the effectiveness of Raman spectroscopy in monitoring urethane reaction kinetics and suggests an effective method for verifying the reaction kinetics and mechanism under nonisothermal conditions. The results of this work will form the basis for our future in-situ study of thermoset polymerization kinetics under exposure to radio frequency electromagnetic (RF) fields.
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