skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Quantification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Elusive Intermediates during Low-Temperature Oxidation of Dimethyl Ether

Journal Article · · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
 [1];  [1];  [2];  [3];  [3];  [4];  [1];  [5];  [1]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States). Combustion Research Facility
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division; Univ. of California, Berkeley, CA (United States). Dept. of Chemistry
  3. King Abdullah Univ. of Science and Technology (KAUST), Thuwal (Saudi Arabia). Clean Combustion Research Center (CCRC)
  4. Bielefeld Univ. (Germany). Dept. of Chemistry
  5. National Centre for Scientific Research (CNRS), Orleans (France). Inst. of Engineering and Systems Science (INSIS)

Abstract not provided.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); European Research Council (ERC); King Abdullah Univ. of Science and Technology (Saudi Arabia)
Contributing Organization:
Univ. of California, Berkeley, CA (United States); Bielefeld Univ. (Germany); National Centre for Scientific Research (CNRS), Orleans (France)
Grant/Contract Number:
AC02-05CH11231; AC04-94AL85000; 291049-2G-CSafe
OSTI ID:
1377535
Alternate ID(s):
OSTI ID: 1474086
Report Number(s):
SAND2018-10264J; ark:/13030/qt2jd7r1fh
Journal Information:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Vol. 120, Issue 40; ISSN 1089-5639
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 75 works
Citation information provided by
Web of Science

References (54)

The attainment of premixed compression ignition low-temperature combustion in a compression ignition direct injection engine journal January 2007
The potential of di-methyl ether (DME) as an alternative fuel for compression-ignition engines: A review journal June 2008
Dimethyl ether: A review of technologies and production challenges journal August 2014
Dimethyl ether (DME) as an alternative fuel journal June 2006
Experimental and Modeling Investigation of the Low-Temperature Oxidation of Dimethyl Ether journal February 2015
Detection and Identification of the Keto-Hydroperoxide (HOOCH 2 OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether journal February 2015
A new mechanism for the low temperature oxidation of hydrocarbons in the gas phase journal September 1965
Effects of Resonance and Structure on the Thermochemistry of Organic Peroxy Radicals and the Kinetics of Combustion Reactions 1 journal March 1965
Unravelling combustion mechanisms through a quantitative understanding of elementary reactions journal January 2005
The predictive capability of an automatically generated combustion chemistry mechanism: Chemical structures of premixed iso-butanol flames journal November 2013
Experimental Confirmation of the Low-Temperature Oxidation Scheme of Alkanes journal April 2010
New experimental evidences about the formation and consumption of ketohydroperoxides journal January 2011
Direct observation and kinetics of a hydroperoxyalkyl radical (QOOH) journal February 2015
Recent contributions of flame-sampling molecular-beam mass spectrometry to a fundamental understanding of combustion chemistry journal April 2009
Combustion chemistry probed by synchrotron VUV photoionization mass spectrometry journal January 2013
An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures journal February 2015
Experimental and kinetic modeling study of the low- and intermediate-temperature oxidation of dimethyl ether journal April 2015
Chemical dynamics, molecular energetics, and kinetics at the synchrotron journal January 2010
Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame journal January 2015
Isomer-Specific Fuel Destruction Pathways in Rich Flames of Methyl Acetate and Ethyl Formate and Consequences for the Combustion Chemistry of Esters journal May 2007
Detailed mass spectrometric and modeling study of isomeric butene flames journal March 2013
Advances and challenges in laminar flame experiments and implications for combustion chemistry journal August 2014
Calculation of low‐energy elastic cross sections for electron‐CF 4 scattering journal May 1994
Cross section and asymmetry parameter calculation for sulfur 1s photoionization of SF6 journal September 1999
A Near-Threshold Shape Resonance in the Valence-Shell Photoabsorption of Linear Alkynes journal October 2015
High-resolution vacuum-ultraviolet photoabsorption spectra of 1-butyne and 2-butyne journal July 2015
Photolysis of methane revisited at 121.6 nm and at 118.2 nm: quantum yields of the primary products, measured by mass spectrometry journal January 2011
Photoelectron Wave Function in Photoionization: Plane Wave or Coulomb Wave? journal October 2015
A practical method for the use of curvilinear coordinates in calculations of normal-mode-projected displacements and Duschinsky rotation matrices for large molecules journal November 2001
Photoelectron spectra of dihalomethyl anions: Testing the limits of normal mode analysis journal May 2011
Determination of the Absolute Photoionization Cross Sections of CH 3 and I Produced from a Pyrolysis Source, by Combined Synchrotron and Vacuum Ultraviolet Laser Studies journal March 2010
Absolute Photoionization Cross-Section of the Methyl Radical journal October 2008
Absolute photoionization cross-section of the propargyl radical journal April 2012
Near-threshold absolute photoionization cross-sections of some reaction intermediates in combustion journal February 2008
Photoabsorption, photoionization, and neutral-dissociation cross sections of simple hydrocarbons in the vacuum ultraviolet range journal May 2002
Ionization yields, total absorption, and dissociative photoionization cross sections of CH 4 from 110 to 950 Å journal June 1989
Photoionization mass spectrometer for studies of flame chemistry with a synchrotron light source journal September 2005
Interaction of photons with molecules - cross-sections for photoabsorption, photoionization, and photodissociation journal December 1999
Isotope Effects in the Photoionization Yields and the Absorption Cross Sections for Acetylene, Propyne, and Propene journal September 1970
A photoabsorption, photodissociation and photoelectron spectroscopy study of C2H4 and C2D4 journal June 1997
Isotope Effects in the Photoionization Yields and the Absorption Cross Sections for Ethylene and n ‐Butane journal December 1968
VUV Photoionization Cross Sections of HO 2 , H 2 O 2 , and H 2 CO journal February 2015
Absolute photoabsorption and photoionization of formaldehyde in the VUV and soft X-ray regions (3–200 eV) journal September 1996
Photoionization cross sections for reaction intermediates in hydrocarbon combustion journal December 2005
Absolute photoionization cross-sections of some combustion intermediates journal January 2012
Selective detection of isomers with photoionization mass spectrometry for studies of hydrocarbon flame chemistry journal October 2003
A study of the valence-shell photoabsorption, photodissociation and photoionisation cross-sections of allene journal May 1999
Absolute cross-sections for dissociative photoionization of some small esters journal May 2010
The molecular and dissociative photoionization of ethane, propane, and n-butane: absolute oscillator strengths (10–80 eV) and breakdown pathways journal June 1993
Quantitative measurements of HO 2 /H 2 O 2 and intermediate species in low and intermediate temperature oxidation of dimethyl ether journal January 2015
Quantification of HO2 and other products of dimethyl ether oxidation (H2O2, H2O, and CH2O) in a jet-stirred reactor at elevated temperatures by low-pressure sampling and continuous-wave cavity ring-down spectroscopy journal October 2015
Measurements of H2O2 in low temperature dimethyl ether oxidation journal January 2013
Experimental and numerical low-temperature oxidation study of ethanol and dimethyl ether journal February 2014
Formate species in the low-temperature oxidation of dimethyl ether journal February 2001

Cited By (1)

Calculation of the absolute photoionization cross-sections for C1–C4 Criegee intermediates and vinyl hydroperoxides journal April 2019

Similar Records

Detection and Identification of the Keto-Hydroperoxide (HOOCH 2 OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether
Journal Article · Thu Feb 19 00:00:00 EST 2015 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory · OSTI ID:1377535

Detection and Identification of the Keto-Hydroperoxide (HOOCH2OCHO) and other Intermediates during Low-Temperature Oxidation of Dimethyl Ether
Journal Article · Fri Feb 13 00:00:00 EST 2015 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory · OSTI ID:1377535

New insights into the low-temperature oxidation of 2-methylhexane
Journal Article · Sat Sep 23 00:00:00 EDT 2017 · Proceedings of the Combustion Institute · OSTI ID:1377535