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dc.contributor.authorGuida, Paolo
dc.contributor.authorColombo, Eleonora
dc.contributor.authorColleoni, Elia
dc.contributor.authorSaxena, Saumitra
dc.contributor.authorFrassoldati, Alessio
dc.contributor.authorRoberts, William L.
dc.contributor.authorFaravelli, Tiziano
dc.date.accessioned2021-05-09T09:12:19Z
dc.date.available2021-05-09T09:12:19Z
dc.date.issued2021-05-05
dc.date.submitted2020-12-27
dc.identifier.citationGuida, P., Colombo, E., Colleoni, E., Saxena, S., Frassoldati, A., Roberts, W. L., & Faravelli, T. (2021). Chemical Kinetics of Asphaltene Pyrolysis. Energy & Fuels. doi:10.1021/acs.energyfuels.0c04358
dc.identifier.issn0887-0624
dc.identifier.issn1520-5029
dc.identifier.doi10.1021/acs.energyfuels.0c04358
dc.identifier.urihttp://hdl.handle.net/10754/669134
dc.description.abstractThis work presents a predictive and generally applicable approach to asphaltene pyrolysis modeling. Asphaltenes derived from heavy fuel oil 380 (HFO) were characterized using elemental analysis and FT-ICR MS. The structural information derived from the chemical analysis guided the formulation of five surrogate molecules. The atomic ratios of the surrogate molecules were defined to replicate the elemental composition of each data as their linear combination. This approach makes the model flexible and readily applicable to any asphaltene fraction by only knowing its elemental composition. The formulation of the kinetic model proceeded through chemistry-related considerations on the reactions most likely to take place at a given temperature for each component. The authors also used the experimental data obtained from thermogravimetric analysis (TGA) in an inert atmosphere, either reported in the literature or generated by the authors for the development of the kinetic scheme. The kinetic scheme consists of five first-order reactions. The activation energy (Ea) and Arrhenius (A) coefficient were tuned using a subset of the experimental data available and validated with the remaining data. The product distribution of the in-house-produced samples was obtained from a TGA–MS and TGA–FTIR analysis and used to adjust the stoichiometric coefficients together with experimental data reported in the literature. The model presented a satisfactory agreement with the most recent experimental data while showing some discrepancies with older data, which are discussed in the paper. The model reported in this work represents the first step of a more comprehensive project aimed to reconstruct the chemical kinetics of HFOs as a combination of their saturate, aromatic, resin, and asphaltene fractions.
dc.description.sponsorshipThe research reported in this publication was partially supported by the Saudi Electricity Company (SEC) and the Clean Combustion Research Center (CCRC) of the King Abdullah University of Science and Technology (KAUST). The authors thank Drs. Long Jiang and Aiping Chen for their work on asphaltene separation and analytical chemistry. This research used resources of the Core Labs at the KAUST. We also thank Dr Wen Zhang for the FT ICR-MS analysis and Dr Salvedin Telalovic for the TGA–MS.
dc.publisherAmerican Chemical Society (ACS)
dc.relation.urlhttps://pubs.acs.org/doi/10.1021/acs.energyfuels.0c04358
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.0c04358.
dc.titleChemical Kinetics of Asphaltene Pyrolysis
dc.typeArticle
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentMechanical Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.contributor.departmenthigh-pressure combustion (HPC) Research Group
dc.identifier.journalEnergy & Fuels
dc.rights.embargodate2022-05-05
dc.eprint.versionPost-print
dc.contributor.institutionDepartment of Chemistry, Materials and Chemical Engineering ”G. Natta”, Politecnico di Milano, Piazza L. Da Vinci 32, Milano 20133, Italy
kaust.personGuida, Paolo
kaust.personSaxena, Saumitra
kaust.personRoberts, William L.
dc.date.accepted2021-04-24
kaust.acknowledged.supportUnitClean Combustion Research Center (CCRC)
kaust.acknowledged.supportUnitCore Labs
dc.date.published-online2021-05-05
dc.date.published-print2021-05-20


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