This work reports experimental and computational studies of polyurethanes depolymerization from industrial waste through a reaction with potassium hydroxide. A computational study was performed to identify the chemical reaction mechanism, which is more difficult to determine experimentally. Kinetic and thermodynamic parameters of activation process were also obtained by theoretical calculations. An experimental procedure led to products identified by ¹³C solid‐state NMR analysis, which agree to the computational study. A small variation of less than 5% in the activation energy values found between the data obtained through theoretical calculations and experimental methods suggests that the described computational procedure is enough to describe the process in a satisfactory manner.

中文翻译：

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聚氨酯解聚的动力学研究：化学回收的实验和计算见解

这项工作报告了通过与氢氧化钾反应从工业废料中解聚聚氨酯的实验和计算研究。进行了一项计算研究，以确定化学反应机理，这在实验上很难确定。还通过理论计算获得了活化过程的动力学和热力学参数。实验程序导致通过¹³ C固态NMR分析鉴定出的产物与计算研究一致。在通过理论计算和实验方法获得的数据之间发现，活化能值的变化小于5％，这表明所描述的计算程序足以以令人满意的方式描述该过程。