Experimental and DFT study of (sorption-enhanced) steam methane reforming over bimetallic Ni-Cu catalysts

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dc.contributor.authorWang, Siqi
dc.contributor.authorShen, Ziqi
dc.contributor.authorOsatiashtiani, Amin
dc.contributor.authorNabavi, Seyed Ali
dc.contributor.authorClough, Peter T.
dc.date.accessioned2024-12-20T12:59:52Z
dc.date.available2024-12-20T12:59:52Z
dc.date.freetoread2024-12-20
dc.date.issued2025-02-01
dc.date.pubOnline2024-11-11
dc.description.abstractThe catalytic performance of a monometallic Ni/Al2O3 and three bimetallic Ni-Cu catalysts (with Cu loading of 2.5, 5, and 7.5 mol%, respectively) for the (sorption-enhanced) steam methane reforming reaction was evaluated. Physico-chemical characterization of the materials confirmed the formation of Ni-Cu alloy and the even distribution of active metals within the porous high-surface area support. All three bimetallic catalysts showed enhanced methane conversion compared to the conventional Ni/Al2O3 catalyst at higher temperatures (800 °C), which was attributed to the promotion of the water–gas shift reaction by the addition of Cu. The experimental observations were supported by the Density Functional Theory calculations of carbon and oxygen adsorption on the mono and bimetallic surfaces. Ni3Cu1 and Ni1Cu1 were calculated to have a similar level of catalytic activity as Ni, based on results from a microkinetic model of the steam methane reforming reaction. Ni1Cu3 showed slightly lower activity, potentially due to its low carbon adsorption ability which impedes the rate-determining methane decomposition process. The SMR reaction was further improved by adding calcium oxide as the CO2 sorbent, which increased both methane conversion and hydrogen yield. Ni3Cu1/Al2O3 and Ni1Cu1/Al2O3 were identified as promising SMR catalysts with a high methane conversion of approximately 90 % at 800 °C and 97 % at 700 °C, without and with the sorbent, respectively.
dc.description.journalNameFuel
dc.identifier.citationWang S, Shen Z, Osatiashtiani A, et al., (2025) Experimental and DFT study of (sorption-enhanced) steam methane reforming over bimetallic Ni-Cu catalysts. Fuel, Volume 381, Part D, February 2025, Article number 133654en_UK
dc.identifier.eissn1873-7153
dc.identifier.elementsID559289
dc.identifier.issn0016-2361
dc.identifier.paperNo133654
dc.identifier.urihttps://doi.org/10.1016/j.fuel.2024.133654
dc.identifier.urihttps://dspace.lib.cranfield.ac.uk/handle/1826/23286
dc.identifier.volumeNo381, Part D
dc.languageEnglish
dc.language.isoen
dc.publisherElsevieren_UK
dc.publisher.urihttps://www.sciencedirect.com/science/article/pii/S0016236124028035?via%3Dihub
dc.rightsAttribution 4.0 Internationalen
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectBimetallic Ni-Cu catalysten_UK
dc.subjectSteam methane reformingen_UK
dc.subjectSorption-enhanced steam methane reformingen_UK
dc.subjectHydrogen productionen_UK
dc.subjectDensity Functional Theoryen_UK
dc.subjectMicrokinetic modellingen_UK
dc.subject4004 Chemical Engineeringen_UK
dc.subject40 Engineeringen_UK
dc.subject7 Affordable and Clean Energyen_UK
dc.subjectEnergyen_UK
dc.subject4012 Fluid mechanics and thermal engineeringen_UK
dc.subject4019 Resources engineering and extractive metallurgyen_UK
dc.titleExperimental and DFT study of (sorption-enhanced) steam methane reforming over bimetallic Ni-Cu catalystsen_UK
dc.typeArticle
dc.type.subtypeJournal Article
dcterms.dateAccepted2024-11-05

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