A versatile pore network model is used to study deactivation by coking in a single catalyst particle. This approach allows to gain detailed insights into the progression of deactivation from active site, to pore, and to particle—providing valuable information for catalyst design. The model is applied to investigate deactivation by coking during propane dehydrogenation in a Pt‐Sn/Al₂O₃ catalyst particle. We find that the deactivation process can be separated into two stages when there exist severe diffusion limitation and pore blockage, and the toxicity of coke formed in the later stage is much stronger than of coke formed in the early stage. The reaction temperature and composition change the coking rate and apparent reaction rate, informed by the kinetics, but, remarkably, they do not change the capacity for a catalyst particle to accommodate coke. Conversely, the pore network structure significantly affects the capacity to contain coke. © 2018 The Authors. AIChE Journal published by Wiley Periodicals, Inc. on behalf of American Institute of Chemical Engineers. AIChE J, 65: 140–150, 2019

中文翻译：

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丙烷脱氢过程中从单个位点到颗粒的焦化失活催化剂的孔网络模型

使用通用的孔网络模型来研究通过在单个催化剂颗粒中焦化来失活。这种方法可以使您深入了解失活从活性位点到孔以及颗粒的进展，从而为催化剂设计提供了有价值的信息。该模型用于研究在Pt-Sn / Al ₂ O ₃中丙烷脱氢过程中焦化的失活催化剂颗粒。我们发现，当存在严重的扩散限制和孔堵塞时，失活过程可以分为两个阶段，后期形成的焦炭的毒性要比早期形成的焦炭强得多。反应动力学和反应温度改变了焦化速率和表观反应速率，但是，它们并没有改变催化剂颗粒容纳焦炭的能力。相反，孔网络结构显着影响了容纳焦炭的能力。©2018作者。Wiley Periodicals，Inc.代表美国化学工程师学会出版的AIChE Journal。AIChE J，65：140–150，2019