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dc.contributor.authorAngikath Shamsudheen, Fabiyan
dc.contributor.authorAbdulrahman, Faseeh
dc.contributor.authorKhandavilli, Muralikrishna
dc.contributor.authorZhang, Xiaoyuan
dc.contributor.authorSarathy, Mani
dc.date.accessioned2021-08-29T12:48:32Z
dc.date.available2021-08-29T12:48:32Z
dc.date.issued2021-08-27
dc.date.submitted2021-06-14
dc.identifier.citationAngikath, F., Abdulrahman, F., Khandavilli, M., Zhang, X., & Sarathy, S. M. (2021). Hydrogen Evolution from Hydrocarbon Pyrolysis in a Simulated Liquid Metal Bubble Reactor. Energy & Fuels. doi:10.1021/acs.energyfuels.1c01880
dc.identifier.issn0887-0624
dc.identifier.issn1520-5029
dc.identifier.doi10.1021/acs.energyfuels.1c01880
dc.identifier.urihttp://hdl.handle.net/10754/670812
dc.description.abstractThe evolution of hydrogen from methane decomposition in a liquid metal bubble reactor (LMBR) has become a recent subject of interest; this study examines a novel approach to hydrogen production from pyrolysis of complex hydrocarbon fuels. Modeling hydrocarbon fuel decomposition in an LMBR is executed in two stages of pyrolysis: First, primary pyrolysis intermediates are simulated using a functional-group-based kinetic model (FGMech). Then, a detailed high temperature mechanism (AramcoMech 1.3 + KAUST PAH + 5 solid carbon chemistry) is applied to simulate secondary pyrolysis of intermediates. The quantities of major products of the secondary pyrolysis simulation (CH4, H2, Cs, C6H6) are approximated by simplified regression equations. Further decomposition of smaller hydrocarbons (until exiting the reactor) is simulated using a coupled kinetic and hydrodynamics model that has been reported in the literature. The mixing effects of bubble coalescence and breakup are investigated in a comparative study on homogeneous and non-homogeneous reactors. Finally, a qualitative relationship between H2 yield per mass of fuel, functional group, and other factors such as temperature, pressure, and residence time is analyzed. In general, the H/C ratio and cyclic/aromatic content are the main features influencing total conversion to H2.
dc.description.sponsorshipThis work was supported by King Abdullah University of Science and Technology (KAUST), with funds allocated to the Clean Combustion Research Centre (CCRC). The authors gratefully acknowledge Dr. Saumitra Saxena and CCRC for thoughtful suggestions in improving the scope of this work.
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttps://pubs.acs.org/doi/10.1021/acs.energyfuels.1c01880
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in Energy & Fuels, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.energyfuels.1c01880.
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.titleHydrogen Evolution from Hydrocarbon Pyrolysis in a Simulated Liquid Metal Bubble Reactor
dc.typeArticle
dc.contributor.departmentChemical Engineering Program
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentCombustion and Pyrolysis Chemistry (CPC) Group
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalEnergy & Fuels
dc.rights.embargodate2022-08-27
dc.eprint.versionPost-print
kaust.personAngikath Shamsudheen, Fabiyan
kaust.personAbdulrahman, Faseeh
kaust.personKhandavilli, Muralikrishna
kaust.personZhang, Xiaoyuan
kaust.personSarathy, Mani
dc.date.accepted2021-08-12
refterms.dateFOA2021-08-29T12:54:02Z
dc.date.published-online2021-08-27
dc.date.published-print2021-09-16


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This document is the Accepted Manuscript version of a Published Work that appeared in final form in Energy & Fuels, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.energyfuels.1c01880.
Except where otherwise noted, this item's license is described as This document is the Accepted Manuscript version of a Published Work that appeared in final form in Energy & Fuels, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.energyfuels.1c01880.