A shock tube and laser absorption study of ignition delay times and OH reaction rates of ketones: 2-Butanone and 3-buten-2-one

Handle URI:
http://hdl.handle.net/10754/563420
Title:
A shock tube and laser absorption study of ignition delay times and OH reaction rates of ketones: 2-Butanone and 3-buten-2-one
Authors:
Badra, Jihad; Elwardani, Ahmed Elsaid ( 0000-0002-2536-2089 ) ; Khaled, Fathi; Vasu, Subith S.; Farooq, Aamir ( 0000-0001-5296-2197 )
Abstract:
Ketones are potential biofuel candidates and are also formed as intermediate products during the oxidation of large hydrocarbons or oxygenated fuels, such as alcohols and esters. This paper presents shock tube ignition delay times and OH reaction rates of 2-butanone (C2H5COCH3) and 3-buten-2-one (C2H3COCH3). Ignition delay measurements were carried out over temperatures of 1100-1400K, pressures of 3-6.5atm, and at equivalence ratios (F{cyrillic}) of 0.5 and 1. Ignition delay times were monitored using two different techniques: pressure time history and OH absorption near 306nm. The reaction rates of hydroxyl radicals (OH) with these two ketones were measured over the temperature range of 950-1400K near 1.5atm. The OH profiles were monitored by the narrow-line-width ring-dye laser absorption of the well-characterized R1(5) line in the OH A-X (0, 0) band near 306.69nm. We found that the ignition delay times of 2-butanone and 3-buten-2-one mixtures scale with pressure as P-0.42 and P-0.52, respectively. The ignition delay times of 3-buten-2-one were longer than that of 2-butanone for stoichiometric mixtures, however, for lean mixtures (F{cyrillic}=0.5), 2-butanone had longer ignition delay times. The chemical kinetic mechanism of Serinyel et al. [1] over-predicted the ignition delay times of 2-butanone at all tested conditions, however, the discrepancies were smaller at higher pressures. The mechanism was updated with recent rate measurements to decrease discrepancy with the experimental data. A detailed chemistry for the oxidation of 3-buten-2-one was developed using rate estimation method and reasonable agreements were obtained with the measured ignition delay data. The measured reaction rate of 2-butanone with OH agreed well with the literature data, while we present the first high-temperature measurements for the reaction of OH with 3-buten-2-one. The following Arrhenius expressions are suggested over the temperature range of 950-1450K: kC2H5COCH3+OH=6.78×1013exp(-2534/T)cm3mol-1s-1kC2H3COCH3+OH=4.17×1013exp(-2350/T)cm3mol-1s-1. © 2013 The Combustion Institute.
KAUST Department:
Clean Combustion Research Center; Physical Sciences and Engineering (PSE) Division; Mechanical Engineering Program; Chemical Kinetics & Laser Sensors Laboratory
Publisher:
Elsevier BV
Journal:
Combustion and Flame
Issue Date:
Mar-2014
DOI:
10.1016/j.combustflame.2013.10.001
Type:
Article
ISSN:
00102180
Sponsors:
We would like to acknowledge the funding support from KAUST Baseline program and Clean Combustion Research Center (CCRC) Collaborative program. Dr. Vasu would like to acknowledge the partial financial support provided by the University of Central Florida, Mechanical and Aerospace Department and the Office of Research and Commercialization. The authors are grateful to Dr. Mariam EIRachidi and Prof. Mani Sarathy of CCRC for fruitful discussions on chemical kinetic modeling.
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Mechanical Engineering Program; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorBadra, Jihaden
dc.contributor.authorElwardani, Ahmed Elsaiden
dc.contributor.authorKhaled, Fathien
dc.contributor.authorVasu, Subith S.en
dc.contributor.authorFarooq, Aamiren
dc.date.accessioned2015-08-03T11:51:01Zen
dc.date.available2015-08-03T11:51:01Zen
dc.date.issued2014-03en
dc.identifier.issn00102180en
dc.identifier.doi10.1016/j.combustflame.2013.10.001en
dc.identifier.urihttp://hdl.handle.net/10754/563420en
dc.description.abstractKetones are potential biofuel candidates and are also formed as intermediate products during the oxidation of large hydrocarbons or oxygenated fuels, such as alcohols and esters. This paper presents shock tube ignition delay times and OH reaction rates of 2-butanone (C2H5COCH3) and 3-buten-2-one (C2H3COCH3). Ignition delay measurements were carried out over temperatures of 1100-1400K, pressures of 3-6.5atm, and at equivalence ratios (F{cyrillic}) of 0.5 and 1. Ignition delay times were monitored using two different techniques: pressure time history and OH absorption near 306nm. The reaction rates of hydroxyl radicals (OH) with these two ketones were measured over the temperature range of 950-1400K near 1.5atm. The OH profiles were monitored by the narrow-line-width ring-dye laser absorption of the well-characterized R1(5) line in the OH A-X (0, 0) band near 306.69nm. We found that the ignition delay times of 2-butanone and 3-buten-2-one mixtures scale with pressure as P-0.42 and P-0.52, respectively. The ignition delay times of 3-buten-2-one were longer than that of 2-butanone for stoichiometric mixtures, however, for lean mixtures (F{cyrillic}=0.5), 2-butanone had longer ignition delay times. The chemical kinetic mechanism of Serinyel et al. [1] over-predicted the ignition delay times of 2-butanone at all tested conditions, however, the discrepancies were smaller at higher pressures. The mechanism was updated with recent rate measurements to decrease discrepancy with the experimental data. A detailed chemistry for the oxidation of 3-buten-2-one was developed using rate estimation method and reasonable agreements were obtained with the measured ignition delay data. The measured reaction rate of 2-butanone with OH agreed well with the literature data, while we present the first high-temperature measurements for the reaction of OH with 3-buten-2-one. The following Arrhenius expressions are suggested over the temperature range of 950-1450K: kC2H5COCH3+OH=6.78×1013exp(-2534/T)cm3mol-1s-1kC2H3COCH3+OH=4.17×1013exp(-2350/T)cm3mol-1s-1. © 2013 The Combustion Institute.en
dc.description.sponsorshipWe would like to acknowledge the funding support from KAUST Baseline program and Clean Combustion Research Center (CCRC) Collaborative program. Dr. Vasu would like to acknowledge the partial financial support provided by the University of Central Florida, Mechanical and Aerospace Department and the Office of Research and Commercialization. The authors are grateful to Dr. Mariam EIRachidi and Prof. Mani Sarathy of CCRC for fruitful discussions on chemical kinetic modeling.en
dc.publisherElsevier BVen
dc.subjectHydroxyl radicalen
dc.subjectIgnition delay timesen
dc.subjectKetonesen
dc.subjectReaction ratesen
dc.subjectShock tubeen
dc.titleA shock tube and laser absorption study of ignition delay times and OH reaction rates of ketones: 2-Butanone and 3-buten-2-oneen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMechanical Engineering Programen
dc.contributor.departmentChemical Kinetics & Laser Sensors Laboratoryen
dc.identifier.journalCombustion and Flameen
dc.contributor.institutionMechanical and Aerospace Engineering Department, University of Central Florida, Orlando, FL 32816, United Statesen
kaust.authorBadra, Jihaden
kaust.authorElwardani, Ahmed Elsaiden
kaust.authorFarooq, Aamiren
kaust.authorKhaled, Fathien
All Items in KAUST are protected by copyright, with all rights reserved, unless otherwise indicated.