On the high-temperature combustion of n-butanol: Shock tube data and an improved kinetic model

Handle URI:
http://hdl.handle.net/10754/563094
Title:
On the high-temperature combustion of n-butanol: Shock tube data and an improved kinetic model
Authors:
Vasu, Subith S.; Sarathy, Mani ( 0000-0002-3975-6206 )
Abstract:
The combustion of n-butanol has received significant interest in recent years, because of its potential use in transportation applications. Researchers have extensively studied its combustion chemistry, using both experimental and theoretical methods; however, additional work is needed under specific conditions to improve our understanding of n-butanol combustion. In this study, we report new OH time-history data during the high-temperature oxidation of n-butanol behind reflected shock waves over the temperature range of 1300-1550 K and at pressures near 2 atm. These data were obtained at Stanford University, using narrow-line-width ring dye laser absorption of the R1(5) line of OH near 306.7 nm. Measured OH time histories were modeled using comprehensive n-butanol literature mechanisms. It was found that n-butanol unimolecular decomposition rate constants commonly used in chemical kinetic models, as well as those determined from theoretical studies, are unable to predict the data presented herein. Therefore, an improved high-temperature mechanism is presented here, which incorporates recently reported rate constants measured in a single pulse shock tube [C. M. Rosado-Reyes and W. Tsang, J. Phys. Chem. A 2012, 116, 9825-9831]. Discussions are presented on the validity of the proposed mechanism against other literature shock tube experiments. © 2013 American Chemical Society.
KAUST Department:
Clean Combustion Research Center; Physical Sciences and Engineering (PSE) Division; Chemical and Biological Engineering Program
Publisher:
American Chemical Society (ACS)
Journal:
Energy & Fuels
Issue Date:
21-Nov-2013
DOI:
10.1021/ef401406z
Type:
Article
ISSN:
08870624
Sponsors:
S.S.V.would like to acknowledge the financial support provided by the University of Central Florida, Mechanical and Aerospace Department and the Office of Research and Commercialization. The work at KAUST was funded by the Clean Combustion Research Center. The authors would like to thank Prof. Ronald Hanson at Stanford University for access to previously unpublished OH data.
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Chemical and Biological Engineering Program; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorVasu, Subith S.en
dc.contributor.authorSarathy, Manien
dc.date.accessioned2015-08-03T11:35:38Zen
dc.date.available2015-08-03T11:35:38Zen
dc.date.issued2013-11-21en
dc.identifier.issn08870624en
dc.identifier.doi10.1021/ef401406zen
dc.identifier.urihttp://hdl.handle.net/10754/563094en
dc.description.abstractThe combustion of n-butanol has received significant interest in recent years, because of its potential use in transportation applications. Researchers have extensively studied its combustion chemistry, using both experimental and theoretical methods; however, additional work is needed under specific conditions to improve our understanding of n-butanol combustion. In this study, we report new OH time-history data during the high-temperature oxidation of n-butanol behind reflected shock waves over the temperature range of 1300-1550 K and at pressures near 2 atm. These data were obtained at Stanford University, using narrow-line-width ring dye laser absorption of the R1(5) line of OH near 306.7 nm. Measured OH time histories were modeled using comprehensive n-butanol literature mechanisms. It was found that n-butanol unimolecular decomposition rate constants commonly used in chemical kinetic models, as well as those determined from theoretical studies, are unable to predict the data presented herein. Therefore, an improved high-temperature mechanism is presented here, which incorporates recently reported rate constants measured in a single pulse shock tube [C. M. Rosado-Reyes and W. Tsang, J. Phys. Chem. A 2012, 116, 9825-9831]. Discussions are presented on the validity of the proposed mechanism against other literature shock tube experiments. © 2013 American Chemical Society.en
dc.description.sponsorshipS.S.V.would like to acknowledge the financial support provided by the University of Central Florida, Mechanical and Aerospace Department and the Office of Research and Commercialization. The work at KAUST was funded by the Clean Combustion Research Center. The authors would like to thank Prof. Ronald Hanson at Stanford University for access to previously unpublished OH data.en
dc.publisherAmerican Chemical Society (ACS)en
dc.titleOn the high-temperature combustion of n-butanol: Shock tube data and an improved kinetic modelen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentChemical and Biological Engineering Programen
dc.identifier.journalEnergy & Fuelsen
dc.contributor.institutionMechanical and Aerospace Engineering Department, University of Central Florida, Orlando, FL 32826, United Statesen
kaust.authorSarathy, Manien
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