Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.jcat.2010.06.008
DC FieldValue
dc.titleCarbon deposition on Co catalysts during Fischer-Tropsch synthesis: A computational and experimental study
dc.contributor.authorFei Tan, K.
dc.contributor.authorXu, J.
dc.contributor.authorChang, J.
dc.contributor.authorBorgna, A.
dc.contributor.authorSaeys, M.
dc.date.accessioned2014-10-09T06:44:12Z
dc.date.available2014-10-09T06:44:12Z
dc.date.issued2010-09-09
dc.identifier.citationFei 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
dc.identifier.issn00219517
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/88605
dc.description.abstractThe 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.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1016/j.jcat.2010.06.008
dc.sourceScopus
dc.subjectCarbide
dc.subjectCarbon deposition
dc.subjectDeactivation
dc.subjectFischer-Tropsch Synthesis
dc.subjectGraphene
dc.typeArticle
dc.contributor.departmentCHEMICAL & BIOMOLECULAR ENGINEERING
dc.description.doi10.1016/j.jcat.2010.06.008
dc.description.sourcetitleJournal of Catalysis
dc.description.volume274
dc.description.issue2
dc.description.page121-129
dc.identifier.isiut000282116100002
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