Exploring bimetallic alloy catalysts of Co, Pd and Cu for CO2 reduction combined with ethane dehydrogenation.
In: Applied Energy, Jg. 299 (2021-10-01), S. N.PAG
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Zugriff:
[Display omitted] • Novel bimetallic alloys are designed using an ab initio microkinetic model (MKM) • Bimetallic alloys are calculated to simultaneously reduce CO 2 and produce ethylene. • From the MKM, alloys are predicted to yield significantly reduced coke. • Five distinct alloy compositions are finally screened showing high reactivity. • Out of five, three alloys (CoFe, CuNi, CuSn) are economical for commercialization. First principles theoretical analysis, employing the age-old Sabatier principle and microkinetic modelling, is undertaken to rationally design bimetallic alloy catalysts of Co, Pd and Cu for CO 2 assisted ethane dehydrogenation reaction. Using CO 2 as a mild oxidant, the reaction aims to convert a part of natural gas and meet the increasing demand of ethylene, while also mitigating the growing levels of CO 2 in the atmosphere. The in silico mean field microkinetic model (MKM) facilitates the selection of bimetallic alloy catalysts based on several criteria which include; equal or enhanced conversion of CO 2 and ethane, higher yield of ethylene and reduced coke formation. Catalyst compositions are evaluated at the reaction temperature of 873 K and an inlet composition of ethane and carbon dioxide as 1:1. Six bimetallic alloy catalysts are proposed as potential candidates for CO 2 assisted ethane dehydrogenation reaction – CoFe, CoPd, PdNi, CuNi, CuSn and CuPt. Out of these, three alloys (CoFe, CuNi, and CuSn) consist of cheaper metals and hold considerable potential for experimental testing and scale-up studies. [ABSTRACT FROM AUTHOR]
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Exploring bimetallic alloy catalysts of Co, Pd and Cu for CO2 reduction combined with ethane dehydrogenation.
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Autor/in / Beteiligte Person: | Jalid, Fatima ; Khan, Tuhin Suvra ; Haider, M. Ali |
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Zeitschrift: | Applied Energy, Jg. 299 (2021-10-01), S. N.PAG |
Veröffentlichung: | 2021 |
Medientyp: | academicJournal |
ISSN: | 0306-2619 (print) |
DOI: | 10.1016/j.apenergy.2021.117284 |
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