甲烷二氧化碳转化过程中镍基催化剂碳沉积的缓解:实验和 DFT 综合研究

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摘要

CH4 干转化(DRM)反应可同时将两种温室气体 CO2 和 CH4 转化为高价值合成气。镍基催化剂由于成本低、活性高而被广泛研究。然而,碳沉积导致镍基催化剂失活是 DRM 反应面临的主要挑战。本综述阐述了 DRM 反应机理、碳沉积的原因以及镍基催化剂抗碳沉积的策略。通过调整镍颗粒的尺寸、引入促进剂、合理设计载体、控制反应过程以及利用催化剂的约束效应,可以抑制碳的沉积。通过 DFT 和微动力学,我们获得了进一步提高和优化催化剂抗碳性能的宝贵见解。这项研究为设计具有高抗碳沉积性能的镍基催化剂用于 DRM 反应提供了指导。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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The mitigation of carbon deposition for Ni-based catalyst in CO2 reforming of methane: A combined experimental and DFT study

The dry reforming of CH4 (DRM) reaction can simultaneously convert two greenhouse gases CO2 and CH4 into high valued syngas. Nickel-based catalysts have been widely studied because of the low cost and high activity. However, carbon deposition making the deactivation of Ni-based catalyst is the main challenges for DRM reaction. This review illustrates DRM reaction mechanism and the causes of carbon deposition, as well as the resistance strategies of carbon deposition for Ni-based catalyst. The deposited carbon can be restrained by adjusting the size of Ni particles, introduction of promoters, reasonable design of support, controlling the reaction process and employing the confinement effect of the catalysts. The valuable insights are garnered for the further augmentation and optimization of the anti-carbon performance of catalysts by DFT and microkinetic. This work provides a tutorial for designing Ni-based catalysts with high anti-carbon deposition properties for DRM reaction.

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