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

Small Ester Combustion Chemistry: Computational Kinetics and Experimental Study of Methyl Acetate and Ethyl Acetate

Conference ·
 [1];  [2];  [3];  [2];  [4];  [1];  [5];  [2];  [1];  [1];  [4];  [6];  [1];  [1]
  1. King Abdullah University of Science and Technology, Clean Combustion Research Center, Thuwal, Kingdom of Saudi Arabia
  2. Lawrence Livermore National Laboratory
  3. Department of Chemistry, Materials, and Chemical Engineering, Politecnico di Milano, Milan, Italy
  4. Combustion Chemistry Center, National University of Ireland, Galway, Ireland
  5. Combustion Physics, Lund University, Lund, Sweden
  6. Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne
+ Show Author Affiliations

Research Organization:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
DOE Contract Number:
AC52-07NA27344
OSTI ID:
1548356
Report Number(s):
LLNL-CONF-742633; 897339
Resource Relation:
Journal Volume: 37; Journal Issue: 1; Conference: Dublin, null, Ireland
Country of Publication:
United States
Language:
English

References (33)

Kinetics modelling of ethyl acetate oxidation in flame conditions journal March 2005
Laminar Burning Velocities of C 4 –C 7 Ethyl Esters in a Spherical Combustion Chamber: Experimental and Detailed Kinetic Modeling journal October 2012
Kinetic studies of methyl acetate pyrolysis and oxidation in a flow reactor and a low-pressure flat flame using molecular-beam mass spectrometry journal January 2015
Experimental and modeling efforts towards a better understanding of the high-temperature combustion kinetics of C3C5 ethyl esters journal November 2017
Contributions to improving small ester combustion chemistry: Theory, model and experiments journal January 2017
Laminar burning characteristics of ethyl propionate, ethyl butyrate, ethyl acetate, gasoline and ethanol fuels journal November 2016
Oxidation of small alkyl esters in flames journal March 2014
Shock Tube Measurements and Kinetic Study of Methyl Acetate Ignition journal March 2015
Experimental and Modeling Study of Trends in the High-Temperature Ignition of Methyl and Ethyl Esters journal October 2011
Methyl Acetate Oxidation in a JSR: Experimental and Detailed Kinetic Modeling Study journal August 1997
Experimental Characterization of Ethyl Acetate, Ethyl Propionate, and Ethyl Butanoate in a Homogeneous Charge Compression Ignition Engine journal March 2011
Study of the Performance and Emissions of the Compression-Ignition (CI) Engine Using Ethyl Acetate as a Surfactant in Ethanol-Based Emulsified Fuel journal February 2010
Ab Initio Kinetics of Hydrogen Abstraction from Methyl Acetate by Hydrogen, Methyl, Oxygen, Hydroxyl, and Hydroperoxy Radicals journal May 2015
Ab Initio Unimolecular Reaction Kinetics of CH 2 C(═O)OCH 3 and CH 3 C(═O)OCH 2 Radicals journal October 2015
Experiment and theory on methylformate and methylacetate kinetics at high temperatures: Rate constants for H-atom abstraction and thermal decomposition journal July 2012
Theoretical and kinetic study of the hydrogen atom abstraction reactions of ethyl esters with hydrogen radicals journal November 2014
Theoretical and Kinetic Study of the Hydrogen Atom Abstraction Reactions of Esters with HȮ 2 Radicals journal December 2013
Theoretical Study of the Rate Constants for the Hydrogen Atom Abstraction Reactions of Esters with • OH Radicals journal June 2014
A detailed chemical kinetic reaction mechanism for oxidation of four small alkyl esters in laminar premixed flames journal January 2009
High-Temperature Measurements of the Reactions of OH with Small Methyl Esters: Methyl Formate, Methyl Acetate, Methyl Propanoate, and Methyl Butanoate journal December 2012
Kinetic Studies of OH Reactions with a Series of Acetates journal January 1996
Reformulation and Solution of the Master Equation for Multiple-Well Chemical Reactions journal May 2013
Reactions of Methyl Radicals. III. Hydrogen Abstraction from Methyl Acetate and Methyl [2H3]Acetate journal January 1979
Theoretical and Shock Tube Study of the Rate Constants for Hydrogen Abstraction Reactions of Ethyl Formate journal August 2017
Pulsed laser powered homogenous pyrolysis for reaction kinetics studies: Probe laser measurement of reaction time and temperature journal January 1996
The oxidation of 2-butene: A high pressure ignition delay, kinetic modeling study and reactivity comparison with isobutene and 1-butene journal January 2017
Laminar burning velocity of acetic acid + air flames journal August 2016
Oxygenate, oxyalkyl and alkoxycarbonyl thermochemistry and rates for hydrogen abstraction from oxygenates journal January 2003
Transport properties of polycyclic aromatic hydrocarbons for flame modeling☆ journal January 1994
Methyl butanoate inhibition of n-heptane diffusion flames through an evaluation of transport and chemical kinetics journal April 2012
An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures journal January 2014
Stabilization of Adiabatic Premixed Laminar Flames on a Flat Flame Burner journal July 1993
Experimental Uncertainties of the Heat Flux Method for Measuring Burning Velocities journal December 2015

Cited By (1)

Benchmarking dual-level MS-Tor and DLPNO-CCSD(T) methods for H-abstraction from methyl pentanoate by an OH radical journal January 2019

Similar Records

Related Subjects

Energy - Conversion
Chemistry - Inorganic
organic
physical and analytical chemistry