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Chemical Insight into the Structure and Formation of Coke on PtSn Alloy during Propane Dehydrogenation
Advanced Sustainable Systems ( IF 6.5 ) Pub Date : 2020-06-11 , DOI: 10.1002/adsu.202000092
Zhe Wang 1 , Yuzhuo Chen 1 , Shanjun Mao 1 , Kejun Wu 2 , Kaichao Zhang 2 , Qichuan Li 2 , Yong Wang 1
Affiliation  

Propane dehydrogenation (PDH) catalyzed by PtSn/Al2O3 is a vital industrial process for producing propylene, a significant building block in the chemical industry. However, coke produced in the process deactivates the catalyst and the energy‐intensive regeneration procedures can produce considerable CO2 emission. In this work, coke on the spent catalysts is analyzed by thermogravimetric‐mass spectra, Raman spectra, 1H solid NMR spectra, and infrared spectra. Several C3 species, including propyl, propylidene and propylidyne are found on the surface of the PtSn alloy. Several reaction pathways are investigated by density functional theory (DFT) calculations. It is also found that this coke can be hydrogenated to propylene in the PDH process. These results could provide theoretical guidance for optimizing process parameters in industry.

中文翻译:

丙烷脱氢过程中PtSn合金上焦炭的结构和形成的化学认识

PtSn / Al 2 O 3催化的丙烷脱氢(PDH)是生产丙烯的重要工业过程,丙烯是化学工业中的重要组成部分。但是,过程中产生的焦炭会使催化剂失活,而耗能大的再生程序会产生大量的CO 2排放。在这项工作中,通过热重质谱,拉曼光谱,1 H固体NMR光谱和红外光谱分析了废催化剂上的焦炭。几个C 3在PtSn合金的表面上发现了包括丙基,亚丙基和亚丙基在内的各种金属。通过密度泛函理论(DFT)计算研究了几种反应途径。还发现该焦炭可以在PDH工艺中被氢化成丙烯。这些结果可为优化工业过程参数提供理论指导。
更新日期:2020-06-11
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