Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

High-temperature oxidation chemistry of n-butanol – experiments in low-pressure premixed flames and detailed kinetic modeling

Journal Article · · Physical Chemistry Chemical Physics. PCCP (Print)
DOI:https://doi.org/10.1039/c1cp21663e· OSTI ID:1381167
Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Combustion Energy Frontier Research Center (CEFRC)
Sponsoring Organization:
USDOE SC Office of Basic Energy Sciences (SC-22)
DOE Contract Number:
SC0001198
OSTI ID:
1381167
Journal Information:
Physical Chemistry Chemical Physics. PCCP (Print), Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Issue: 45 Vol. 13; ISSN 1463-9076; ISSN PPCPFQ
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English

References (50)

Accurate High-Temperature Reaction Networks for Alternative Fuels: Butanol Isomers journal November 2010
Evaluated Kinetic, Photochemical and Heterogeneous Data for Atmospheric Chemistry: Supplement V.   IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry journal May 1997
Bio-butanol: Combustion properties and detailed chemical kinetic model journal February 2010
Near-threshold absolute photoionization cross-sections of some reaction intermediates in combustion journal February 2008
Determination of absolute photoionization cross sections for isomers of C3H5: allyl and 2-propenyl radicals journal January 2004
Rate constants for hydrogen-abstraction by O˙H from n-butanol journal April 2011
Biobutanol: An attractive biofuel journal December 2007
A chemical kinetic study of n-butanol oxidation at elevated pressure in a jet stirred reactor journal January 2009
Experimental and Modeling Study of the Kinetics of Oxidation of Butanol− n- Heptane Mixtures in a Jet-stirred Reactor journal July 2009
Combustion Chemistry of Enols:  Possible Ethenol Precursors in Flames journal March 2006
Absolute Photoionization Cross-Section of the Methyl Radical journal October 2008
An experimental and kinetic modeling study of methyl formate low-pressure flames journal April 2011
Biofuel Combustion Chemistry: From Ethanol to Biodiesel journal May 2010
Fuel decomposition and hydrocarbon growth processes for oxygenated hydrocarbons: butyl alcohols journal January 2005
Photoionization mass spectrometer for studies of flame chemistry with a synchrotron light source journal September 2005
Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry journal April 2009
Oxidation kinetics of butanol–gasoline surrogate mixtures in a jet-stirred reactor: Experimental and modeling study journal November 2008
“Imaging” combustion chemistry via multiplexed synchrotron-photoionization mass spectrometry journal January 2008
Measurements of Laminar Burning Velocities and Markstein Lengths of n -Butanol−Air Premixed Mixtures at Elevated Temperatures and Pressures journal October 2009
Combustion of butanol isomers – A detailed molecular beam mass spectrometry investigation of their flame chemistry journal January 2011
Combustion at a crossroads: Status and prospects journal January 2007
Role of peroxy chemistry in the high-pressure ignition of n-butanol – Experiments and detailed kinetic modelling journal August 2011
Identification of combustion intermediates in isomeric fuel-rich premixed butanol–oxygen flames at low pressure journal March 2007
Chemical kinetic modeling of hydrocarbon combustion journal January 1984
Comprehensive reaction mechanism for n-butanol pyrolysis and combustion journal January 2011
An Experimental and Kinetic Modeling Study of the Oxidation of the Four Isomers of Butanol journal October 2008
Studies of aromatic hydrocarbon formation mechanisms in flames: Progress towards closing the fuel gap journal January 2006
Thermodynamic Properties (Enthalpy, Bond Energy, Entropy, and Heat Capacity) and Internal Rotor Potentials of Vinyl Alcohol, Methyl Vinyl Ether, and Their Corresponding Radicals journal June 2006
An experimental and kinetic modeling study of n-butanol combustion journal April 2009
Shock tube investigations of ignition delays of n-butanol at elevated pressures between 770 and 1250K journal January 2011
Experimental and Theoretical Studies of Rate Coefficients for the Reaction O( 3 P) + C 2 H 5 OH at High Temperatures journal May 2007
Steady-state master equation methods journal January 2007
A comparative experimental and computational study of methanol, ethanol, and n-butanol flames journal October 2010
Determination of absolute photoionization cross sections for vinyl and propargyl radicals journal September 2003
Enols Are Common Intermediates in Hydrocarbon Oxidation journal June 2005
Measurements of the reaction of OH with n-butanol at high-temperatures journal September 2010
Chemical Kinetic Data Sheets for High‐Temperature Reactions. Part II journal November 1991
The reaction of hydroxyethyl radicals with O2: A theoretical analysis and experimental product study journal January 2009
Sampling Probe Influences on Temperature and Species Concentrations in Molecular Beam Mass Spectroscopic Investigations of Flat Premixed Low-pressure Flames journal May 2009
An experimental and kinetic modeling study of combustion of isomers of butanol journal November 2010
Production of liquid biofuels from renewable resources journal February 2011
Rate-Based Construction of Kinetic Models for Complex Systems journal May 1997
The reaction between ethyl and molecular oxygen II: Further analysis journal January 2001
The pyrolysis of n-butanol journal January 1957
Reactions over Multiple, Interconnected Potential Wells: Unimolecular and Bimolecular Reactions on a C 3 H 5 Potential journal October 2008
Studies of a fuel-rich propane flame with photoionization mass spectrometry journal January 2005
Energy Barriers for the Addition of H, ĊH 3 , and Ċ 2 H 5 to CH 2 ═CHX [X = H, CH 3 , OH] and for H-Atom Addition to RCH═O [R = H, CH 3 , Ċ 2 H 5 , n -C 3 H 7 ]: Implications for the Gas-Phase Chemistry of Enols journal June 2009
Autoignition of n-butanol at elevated pressure and low-to-intermediate temperature journal May 2011
Dissociation dynamics of energy-selected ion-dipole complexes. 2. Butyl alcohol ions journal September 1988
Erratum to “Comprehensive reaction mechanism for n-butanol pyrolysis and combustion” [Combust. Flame 158 (2011) 16–41] journal October 2011

Similar Records

High-Temperature Oxidation Chemistry of n-Butanol - Experiments in Low-Pressure Premixed Flames and Detailed Kinetic Modeling.
Journal Article · Sun May 01 00:00:00 EDT 2011 · Physical chemistry chemical physics · OSTI ID:1107758

Role of Peroxy Chemistry in the High-Pressure Ignition of n-Butanol -- Experiments and Detailed Kinetic Modelling.
Journal Article · Sun Aug 01 00:00:00 EDT 2010 · Combustion and Flame · OSTI ID:1122421

Autoignition of n-Butanol at Elevated Pressure and Low to Intermediate Temperature
Journal Article · · Combustion and Flame · OSTI ID:1065145