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dc.contributor.authorChen, Bingjie
dc.contributor.authorHellmuth, Maximillian
dc.contributor.authorFaller, Sebastian
dc.contributor.authorMay, Laurenz
dc.contributor.authorLiu, Peng
dc.contributor.authorCai, Liming
dc.contributor.authorRoberts, William L.
dc.contributor.authorPitsch, Heinz
dc.date.accessioned2022-01-19T11:31:11Z
dc.date.available2022-01-19T11:31:11Z
dc.date.issued2021-12
dc.date.submitted2021-09-08
dc.identifier.citationChen, B., Hellmuth, M., Faller, S., May, L., Liu, P., Cai, L., … Pitsch, H. (2021). Exploring the combustion chemistry of anisole in laminar counterflow diffusion-flames under oxy-fuel conditions. Combustion and Flame, 111929. doi:10.1016/j.combustflame.2021.111929
dc.identifier.issn1556-2921
dc.identifier.issn0010-2180
dc.identifier.doi10.1016/j.combustflame.2021.111929
dc.identifier.urihttp://hdl.handle.net/10754/675052
dc.description.abstractBiomass combustion under oxy-fuel conditions, i.e., burning biomass by using CO2/O2 mixtures as oxidizer instead of air, is a promising approach to mitigate climate change by recycling CO2 from the exhaust gas. Understanding oxy-fuel biomass combustion chemistry can further help to achieve higher efficiency and lower emissions in future design concepts. In this work, we investigated the combustion chemistry of anisole, a potential component of surrogates for biomass and volatiles, in two selected laminar counterflow diffusion flames under oxy-fuel conditions. A time-of-flight molecular-beam mass-spectrometer (ToF-MBMS) and a gas chromatograph with a mass spectrometer (GC–MS) were used to analyze the chemical compositions of the gaseous samples at various flame positions. The combined measurements allowed us to identify and quantify over 40 species, including many polycyclic aromatic hydrocarbons (PAH) and oxygenated polycyclic aromatic hydrocarbons (OPAH). Comparing the experimental results to numerical simulations using the latest kinetic model from Yuan et al. (Combust. Flame 2019, 201, 187–199), we found that some of the aromatic hydrocarbons (e.g., phenylacetylene, styrene, and ethylbenzene), PAH molecules, (e.g., naphthalene and acenaphthylene), and OPAH molecules (e.g., cresol, benzofuran, and dibenzofuran) were overpredicted by the kinetic model. The model analysis indicated that the reaction rate coefficients in PAH and OPAH chemistry may be responsible. Tentative kinetic model updates showed improvement on the predictions of benzofuran, naphthalene, and acenaphthylene. In summary, this work provides comprehensive speciation datasets from two measurement techniques, examines the latest anisole kinetic model in laminar counterflow diffusion-flames, and provides novel insights for biomass combustion chemistry under oxy-fuel conditions.
dc.description.sponsorshipThe authors acknowledge the financial support by the Deutsche Forschungsgemeinschaft within the framework of the collaborative research center SFB/Transregio 129 “Oxyflame”. The work was further supported by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany´s Excellence Strategy – Cluster of Excellence 2186 „The Fuel Science Center” – ID: 390919832. The calculation work in this paper was supported by the funding from King Abdullah University of Science and Technology (KAUST) and Clean Combustion Research Center (CCRC). LC would like to further thank the support by the Fundamental Research Funds for the Central Universities.
dc.publisherElsevier BV
dc.relation.urlhttps://linkinghub.elsevier.com/retrieve/pii/S0010218021006726
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Combustion and Flame. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Combustion and Flame, [, , (2021-12)] DOI: 10.1016/j.combustflame.2021.111929 . © 2021. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.titleExploring the combustion chemistry of anisole in laminar counterflow diffusion-flames under oxy-fuel conditions
dc.typeArticle
dc.contributor.departmentbClean Combustion Research Center, King Abdullah University of Science and Technology, Thuwal, 23955-6900, Saudi Arabia
dc.contributor.departmentMechanical Engineering Program
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalCombustion and Flame
dc.rights.embargodate2023-12
dc.eprint.versionPost-print
dc.contributor.institutionaInstitute for Combustion Technology, RWTH Aachen University, Templergraben 64, 52056 Aachen, Germany
dc.contributor.institutioncSchool for Automotive Studies, Tongji University, 201804, Shanghai, China
dc.identifier.pages111929
kaust.personLiu, Peng
kaust.personRoberts, William L.
dc.date.accepted2021-12-03
dc.identifier.eid2-s2.0-85121518700
refterms.dateFOA2022-01-20T06:04:56Z
kaust.acknowledged.supportUnitClean Combustion Research Center (CCRC)


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