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dc.contributor.authorTao, Tao
dc.contributor.authorSun, Wenyu
dc.contributor.authorHansen, Nils
dc.contributor.authorJasper, Ahren W.
dc.contributor.authorMoshammer, Kai
dc.contributor.authorChen, Bingjie
dc.contributor.authorWang, Zhandong
dc.contributor.authorHuang, Can
dc.contributor.authorDagaut, Philippe
dc.contributor.authorYang, Bin
dc.date.accessioned2018-03-27T10:13:59Z
dc.date.available2018-03-27T10:13:59Z
dc.date.issued2018-03-20
dc.identifier.citationTao T, Sun W, Hansen N, Jasper AW, Moshammer K, et al. (2018) Exploring the negative temperature coefficient behavior of acetaldehyde based on detailed intermediate measurements in a jet-stirred reactor. Combustion and Flame 192: 120–129. Available: http://dx.doi.org/10.1016/j.combustflame.2018.01.048.
dc.identifier.issn0010-2180
dc.identifier.doi10.1016/j.combustflame.2018.01.048
dc.identifier.urihttp://hdl.handle.net/10754/627380
dc.description.abstractAcetaldehyde is an observed emission species and a key intermediate produced during the combustion and low-temperature oxidation of fossil and bio-derived fuels. Investigations into the low-temperature oxidation chemistry of acetaldehyde are essential to develop a better core mechanism and to better understand auto-ignition and cool flame phenomena. Here, the oxidation of acetaldehyde was studied at low-temperatures (528–946 K) in a jet-stirred reactor (JSR) with the corrected residence time of 2.7 s at 700 Torr. This work describes a detailed set of experimental results that capture the negative temperature coefficient (NTC) behavior in the low-temperature oxidation of acetaldehyde. The mole fractions of 28 species were measured as functions of the temperature by employing a vacuum ultra-violet photoionization molecular-beam mass spectrometer. To explain the observed NTC behavior, an updated mechanism was proposed, which well reproduces the concentration profiles of many observed peroxide intermediates. The kinetic analysis based on the updated mechanism reveals that the NTC behavior of acetaldehyde oxidation is caused by the competition between the O-addition to and the decomposition of the CHCO radical.
dc.description.sponsorshipWe really appreciate the productive discussion with Dr. Ultan Burke and Dr. Henry J. Curran. This work is supported by the National Natural Science Foundation of China (Nos. 91741109 and 91541113). TT wants to thank for the support China Scholarship Council. The experiments profited from the expert technical assistance of Paul Fugazzi. This research used resources of the Advanced Light Source, supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract no. DEAC02-05CH11231. NH, AWJ and KM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-NA0003525. The work at Argonne is supported under Contract no. DE-AC02-06CH11357DOE-BES through the GPCP program.
dc.publisherElsevier BV
dc.relation.urlhttps://www.sciencedirect.com/science/article/pii/S0010218018300622
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, [192, , (2018-03-20)] DOI: 10.1016/j.combustflame.2018.01.048 . © 2018. 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.subjectAcetaldehyde
dc.subjectJet-stirred reactor
dc.subjectMolecular-beam mass spectrometry
dc.subjectNegative temperature coefficient
dc.titleExploring the negative temperature coefficient behavior of acetaldehyde based on detailed intermediate measurements in a jet-stirred reactor
dc.typeArticle
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentChemical and Biological Engineering Program
dc.contributor.departmentClean Combustion Research Center
dc.identifier.journalCombustion and Flame
dc.eprint.versionPost-print
dc.contributor.institutionKey Laboratory for Thermal Science and Power Engineering of MOE, Tsinghua University, Beijing, 100084, , China
dc.contributor.institutionCenter for Combustion Energy and Department of Energy and Power Engineering, Tsinghua University, Beijing, 100084, , China
dc.contributor.institutionCombustion Research Facility, Sandia National Laboratories, Livermore, CA, 94551, , United States
dc.contributor.institutionChemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, IL, 60439, , United States
dc.contributor.institutionPhysikalisch-Technische Bundesanstalt (PTB), Department of Thermophysical Quantities, Bundesallee 100, Braunschweig, 38116, , Germany
dc.contributor.institutionCNRS-INSIS, Institut de Combustion, Aérothermique, Réactivité et Environnement 1C, Avenue de la recherche scientifique, Orléans cedex 2, 45071, , France
kaust.personChen, Bingjie
kaust.personWang, Zhandong


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