Using initial rate data, the mechanistic investigation for the thermal degradation kinetics of 2-amino-2-methyl-1-propanol (AMP) to 4,4-Dimethyl-1,3-oxazolidin-2-one (DMOZD) as function of amine and CO2 concentration in the solution was performed. Activation energies of different reaction steps in introduced mechanisms imply that the reaction between AMP and CO2 to produce carbamate will happened close to equilibrium condition, while the carbamate will tends to revert back to initial amine rather than convert to the DMOZD at lower temperatures. Investigation of different forms of reaction pathways and various reaction orders for reactants including AMP and CO2 demonstrate that the actual reaction mechanism is complex. The closest and simplest mechanism to fit the experimental data provides non-integer reaction order in respect to AMP and CO2 concentration in rate equation, which indicated of more complexity of reaction mechanism. Through the degradation rate data, the activation energy and reaction rate constant for the reaction of AMP and CO2 to form zwitterion were also calculated. The obtained reaction parameters through a zwitterion mechanism were consistent with reported literature values, which were calculated through a different approaches. However, the zwitterion formation in the degradation mechanism displayed no improvement in the experimental rate prediction ability of the model equation compare to more simplified pathways. Employing the long term experimental concentration vs. time data, the overall reaction between amine and CO2 to produce DMOZD was analyzed. The DMOZD and reactant concentrations at the steady state were calculated through an apparent reaction rate model. The results show that depending on the AMP concentrations, CO2 loading and solution temperature, at steady state conditions the percentage ratio of DMOZD concentration over AMP is between 0.5 and 7.

中文翻译：

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2-氨基-2-甲基-1-丙醇对环4,4-二甲基-1,3-恶唑烷-2-酮的热降解速率；机械方面和动力学研究

使用初始速率数据，机理研究了2-氨基-2-甲基-1-丙醇（AMP）转化为4,4-二甲基-1,3-恶唑烷-2-酮（DMOZD）的热降解动力学，其机理为进行溶液中胺和CO 2浓度的测定。引入的机理中不同反应步骤的活化能暗示，AMP和CO2之间产生氨基甲酸酯的反应将接近平衡条件，而氨基甲酸酯则倾向于在较低温度下还原为初始胺而不是转化为DMOZD。对包括AMP和CO2在内的反应物不同形式的反应途径和各种反应顺序的研究表明，实际的反应机理很复杂。拟合实验数据的最接近，最简单的机理提供了速率方程中关于AMP和CO2浓度的非整数反应顺序，这表明反应机理更加复杂。通过降解速率数据，还计算了AMP与CO2反应形成两性离子的活化能和反应速率常数。通过两性离子机理获得的反应参数与报道的文献值一致，这些文献值是通过不同方法计算得出的。然而，与更简化的途径相比，降解机理中的两性离子形成并未显示出模型方程的实验速率预测能力的改善。利用长期实验浓度对比时间数据，分析了胺和CO2之间产生DMOZD的总体反应。通过表观反应速率模型计算稳态下的DMOZD和反应物浓度。结果表明，取决于AMP浓度，CO2负载量和溶液温度，在稳态条件下，DMOZD浓度与AMP的百分比比在0.5到7之间。