Toward understanding Fischer − Tropsch synthesis on cobalt carbides from first principles and microkinetic analysis

[Display omitted] •The complex FTS reaction network on Co2C was analyzed by first-principles based microkinetic modeling.•The formation pathways of major products including oxygenates and hydrocarbons were determined.•The model-predicted product distribution as a function of temperature can reflect...

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Veröffentlicht in:	Chemical engineering journal (Lausanne, Switzerland : 1996) Switzerland : 1996), 2023-08, Vol.469, p.143947, Article 143947
Hauptverfasser:	Yu, Haipeng, Wang, Lingtao, Yu, Yingzhe, Yang, Guochao, Zhang, Minhua
Format:	Artikel
Sprache:	eng
Schlagworte:	acetaldehyde cobalt Cobalt carbide DFT ethane ethanol ethylene Fischer−Tropsch synthesis methane Microkinetics Syngas synthesis gas temperature
Online-Zugang:	Volltext
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