Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.jcat.2010.06.008
Title: Carbon deposition on Co catalysts during Fischer-Tropsch synthesis: A computational and experimental study
Authors: Fei Tan, K.
Xu, J.
Chang, J.
Borgna, A.
Saeys, M. 
Keywords: Carbide
Carbon deposition
Deactivation
Fischer-Tropsch Synthesis
Graphene
Issue Date: 9-Sep-2010
Source: Fei Tan, K., Xu, J., Chang, J., Borgna, A., Saeys, M. (2010-09-09). Carbon deposition on Co catalysts during Fischer-Tropsch synthesis: A computational and experimental study. Journal of Catalysis 274 (2) : 121-129. ScholarBank@NUS Repository. https://doi.org/10.1016/j.jcat.2010.06.008
Abstract: The deactivation of a 20 wt% Co/γ-Al2O3 catalyst during Fischer-Tropsch Synthesis (FTS) at 240 °C, 20 bar, and a H2:CO ratio of 2 was studied in a fixed-bed micro-reactor. The CO conversion had reduced by 30% after 200 h, and both carbidic and polyaromatic carbon species could be detected on the catalyst using a combination of Temperature-Programmed Hydrogenation (TPH), X-ray Photoelectron Spectroscopy (XPS) and High Resolution Transmission Electron Microscopy (HRTEM). Using Density Functional Theory (DFT), the relative stability of different types of deposited carbon on the Co catalyst was evaluated. Extended layers of graphene were the most stable form, followed by a p4g surface carbide phase initiating from the step edges. Both are more stable than surface CH2 groups by 99 and 79 kJ/mol. The calculated C 1s core-level binding energies of 284.5 and 283.4 eV further support the presence of polyaromatic carbon and of a surface carbide. © 2010 Elsevier Inc. All rights reserved.
Source Title: Journal of Catalysis
URI: http://scholarbank.nus.edu.sg/handle/10635/88605
ISSN: 00219517
DOI: 10.1016/j.jcat.2010.06.008
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