We propose a novel kinetic model for the methane dehydroaromatization (MDA) reaction over the Mo/ZSM-5 catalyst to express the practical behavior of the catalytic reaction. Unlike existing MDA kinetic models, we introduced a deactivation model involving carbon deposit formation to simulate the more realistic behavior of the MDA reaction. The proposed kinetic model integrated the “apparent kinetic model,” which focuses on detectable components, and the “micro-kinetic model,” which incorporates the acidic properties and active sites of the catalyst. To validate this model, we conducted fixed-bed experiments across a wide range of operating conditions, including temperature, gas velocity, and metal loading. Compared with experimental data, our model predictions exhibited a remarkable error of 5 %. Specifically, by leveraging the relationship between the deactivation behavior and carbon deposit formation, the model accurately predicted the CH4 conversion rates, component yields, and coke production throughout the reaction. This model sheds light on catalytic behavior during carbon deposit generation under diverse operating conditions, contributing to a comprehensive understanding of the MDA reaction mechanism. The developed kinetic model can be applied to estimate reactor performance across various scenarios. By providing a kinetic model that incorporates information regarding the catalytic properties of Mo/ZSM-5 and the apparent gas concentration, our study offers a potent tool for estimating practical reactor performance and advancing MDA catalyst development.

中文翻译：

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Mo/ZSM-5 催化剂上甲烷脱氢芳构化的动力学模型


我们提出了一种新的 Mo/ZSM-5 催化剂上甲烷脱氢芳构化 (MDA) 反应的动力学模型，以表达催化反应的实际行为。与现有的 MDA 动力学模型不同，我们引入了涉及碳沉积形成的失活模型来模拟 MDA 反应的更真实行为。所提出的动力学模型集成了“表观动力学模型”和“微动力学模型”，前者侧重于可检测组分，后者结合了催化剂的酸性特性和活性位点。为了验证该模型，我们在各种操作条件下进行了固定床实验，包括温度、气体速度和金属负载。与实验数据相比，我们的模型预测出现了 5% 的显着误差。具体来说，通过利用失活行为和积炭形成之间的关系，该模型准确预测了整个反应过程中的 CH4 转化率、组分产率和焦炭产量。该模型揭示了不同操作条件下碳沉积生成过程中的催化行为，有助于全面了解 MDA 反应机理。开发的动力学模型可用于估计各种情况下的反应堆性能。通过提供一个包含 Mo/ZSM-5 催化特性和表观气体浓度信息的动力学模型，我们的研究为估计实际反应器性能和推进 MDA 催化剂开发提供了一个有效的工具。