A comparative study of the chemical kinetics of methyl and ethyl propanoate

Handle URI:
http://hdl.handle.net/10754/347283
Title:
A comparative study of the chemical kinetics of methyl and ethyl propanoate
Authors:
Farooq, Aamir ( 0000-0001-5296-2197 ) ; Davidson, D.F.; Hanson, R.K.; Westbrook, C.K.
Abstract:
High temperature pyrolysis of methyl propanoate (CH3CH 2C(O)OCH3) and ethyl propanoate (CH3CH 2C(O)OCH2CH3) was studied behind reflected shock waves at temperatures of 1250-1750 K and pressure of 1.5 atm. Species time-histories were recorded for CO, CO2, C2H4, and H2O using laser absorption methods over a test time of 1 ms. Pyrolysis of methyl propanoate (MP) appears to be faster than that of ethyl propanoate (EP) under the present experimental conditions, where CO and CO 2 reach their plateau values faster for MP at a specific temperature and fuel concentration. Higher plateau values are reached for CO in case of MP while the CO2 levels are similar for the two ester fuels. Ethylene production is larger for EP due to the presence of six-centered ring elimination reaction that produces ethylene and propanoic acid. Very little H2O is produced during MP pyrolysis in contrast with appreciable H2O production from EP. Sensitivity and rate-of-production analyses were carried out to identify key reactions that affect the measured species profiles. Previous kinetic mechanisms of Yang et al. (2011) [1,2] and Metcalf et al. (2009, 2007) [3,4] were used as base models and then refined to propose a new MP/EP pyrolysis mechanism. © 2014 Elsevier Ltd. All rights reserved.
KAUST Department:
Clean Combustion Research Center; Physical Sciences and Engineering (PSE) Division
Citation:
A comparative study of the chemical kinetics of methyl and ethyl propanoate 2014, 134:26 Fuel
Publisher:
Elsevier
Journal:
Fuel
Issue Date:
Oct-2014
DOI:
10.1016/j.fuel.2014.05.035
Type:
Article
ISSN:
00162361
Additional Links:
http://linkinghub.elsevier.com/retrieve/pii/S0016236114004888
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorFarooq, Aamiren
dc.contributor.authorDavidson, D.F.en
dc.contributor.authorHanson, R.K.en
dc.contributor.authorWestbrook, C.K.en
dc.date.accessioned2015-03-30T06:59:45Zen
dc.date.available2015-03-30T06:59:45Zen
dc.date.issued2014-10en
dc.identifier.citationA comparative study of the chemical kinetics of methyl and ethyl propanoate 2014, 134:26 Fuelen
dc.identifier.issn00162361en
dc.identifier.doi10.1016/j.fuel.2014.05.035en
dc.identifier.urihttp://hdl.handle.net/10754/347283en
dc.description.abstractHigh temperature pyrolysis of methyl propanoate (CH3CH 2C(O)OCH3) and ethyl propanoate (CH3CH 2C(O)OCH2CH3) was studied behind reflected shock waves at temperatures of 1250-1750 K and pressure of 1.5 atm. Species time-histories were recorded for CO, CO2, C2H4, and H2O using laser absorption methods over a test time of 1 ms. Pyrolysis of methyl propanoate (MP) appears to be faster than that of ethyl propanoate (EP) under the present experimental conditions, where CO and CO 2 reach their plateau values faster for MP at a specific temperature and fuel concentration. Higher plateau values are reached for CO in case of MP while the CO2 levels are similar for the two ester fuels. Ethylene production is larger for EP due to the presence of six-centered ring elimination reaction that produces ethylene and propanoic acid. Very little H2O is produced during MP pyrolysis in contrast with appreciable H2O production from EP. Sensitivity and rate-of-production analyses were carried out to identify key reactions that affect the measured species profiles. Previous kinetic mechanisms of Yang et al. (2011) [1,2] and Metcalf et al. (2009, 2007) [3,4] were used as base models and then refined to propose a new MP/EP pyrolysis mechanism. © 2014 Elsevier Ltd. All rights reserved.en
dc.publisherElsevieren
dc.relation.urlhttp://linkinghub.elsevier.com/retrieve/pii/S0016236114004888en
dc.rightsArchived with thanks to Fuel. Copyright © 2014 Elsevier Ltd. All rights reserved.en
dc.titleA comparative study of the chemical kinetics of methyl and ethyl propanoateen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalFuelen
dc.eprint.versionPost-printen
dc.contributor.institutionMechanical Engineering Department, Stanford University, Stanford, CA 94305, USAen
dc.contributor.institutionLawrence Livermore National Laboratory, CA 94550, USAen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorFarooq, Aamiren
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