Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

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

Abstract

Abstract not provided.

Authors:
 [1];  [1];  [2];  [3];  [3];  [4];  [1];  [5];  [1]
+ Show Author Affiliations
  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)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); European Research Council (ERC); King Abdullah Univ. of Science and Technology (Saudi Arabia)
Contributing Org.:
Univ. of California, Berkeley, CA (United States); Bielefeld Univ. (Germany); National Centre for Scientific Research (CNRS), Orleans (France)
OSTI Identifier:
1377535
Alternate Identifier(s):
OSTI ID: 1474086
Report Number(s):
SAND2018-10264J
Journal ID: ISSN 1089-5639; ark:/13030/qt2jd7r1fh
Grant/Contract Number:  
AC02-05CH11231; AC04-94AL85000; 291049-2G-CSafe
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
Additional Journal Information:
Journal Volume: 120; Journal Issue: 40; Journal ID: ISSN 1089-5639
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Moshammer, Kai, Jasper, Ahren W., Popolan-Vaida, Denisia M., Wang, Zhandong, Bhavani Shankar, Vijai Shankar, Ruwe, Lena, Taatjes, Craig A., Dagaut, Philippe, and Hansen, Nils. Quantification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Elusive Intermediates during Low-Temperature Oxidation of Dimethyl Ether. United States: N. p., 2016. Web. doi:10.1021/acs.jpca.6b06634.
Copy to clipboard
Moshammer, Kai, Jasper, Ahren W., Popolan-Vaida, Denisia M., Wang, Zhandong, Bhavani Shankar, Vijai Shankar, Ruwe, Lena, Taatjes, Craig A., Dagaut, Philippe, & Hansen, Nils. Quantification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Elusive Intermediates during Low-Temperature Oxidation of Dimethyl Ether. United States. https://doi.org/10.1021/acs.jpca.6b06634
Copy to clipboard
Moshammer, Kai, Jasper, Ahren W., Popolan-Vaida, Denisia M., Wang, Zhandong, Bhavani Shankar, Vijai Shankar, Ruwe, Lena, Taatjes, Craig A., Dagaut, Philippe, and Hansen, Nils. Sat . "Quantification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Elusive Intermediates during Low-Temperature Oxidation of Dimethyl Ether". United States. https://doi.org/10.1021/acs.jpca.6b06634. https://www.osti.gov/servlets/purl/1377535.
Copy to clipboard
@article{osti_1377535,
title = {Quantification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Elusive Intermediates during Low-Temperature Oxidation of Dimethyl Ether},
author = {Moshammer, Kai and Jasper, Ahren W. and Popolan-Vaida, Denisia M. and Wang, Zhandong and Bhavani Shankar, Vijai Shankar and Ruwe, Lena and Taatjes, Craig A. and Dagaut, Philippe and Hansen, Nils},
abstractNote = {Abstract not provided.},
doi = {10.1021/acs.jpca.6b06634},
journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
number = 40,
volume = 120,
place = {United States},
year = {Sat Sep 17 00:00:00 EDT 2016},
month = {Sat Sep 17 00:00:00 EDT 2016}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1021/acs.jpca.6b06634
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 75 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

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

  • Azizi, Zoha; Rezaeimanesh, Mohsen; Tohidian, Tahere
  • Chemical Engineering and Processing: Process Intensification, Vol. 82
  • DOI: 10.1016/j.cep.2014.06.007

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

  • Rodriguez, Anne; Frottier, Ophélie; Herbinet, Olivier
  • The Journal of Physical Chemistry A, Vol. 119, Issue 28
  • DOI: 10.1021/acs.jpca.5b01939

Detection and Identification of the Keto-Hydroperoxide (HOOCH 2 OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether
journal, February 2015

  • Moshammer, Kai; Jasper, Ahren W.; Popolan-Vaida, Denisia M.
  • The Journal of Physical Chemistry A, Vol. 119, Issue 28
  • DOI: 10.1021/acs.jpca.5b00101

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

  • Benson, Sidney W.
  • Journal of the American Chemical Society, Vol. 87, Issue 5
  • DOI: 10.1021/ja01083a006

Unravelling combustion mechanisms through a quantitative understanding of elementary reactions
journal, January 2005

  • Miller, James A.; Pilling, Michael J.; Troe, Jürgen
  • Proceedings of the Combustion Institute, Vol. 30, Issue 1
  • DOI: 10.1016/j.proci.2004.08.281

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

  • Battin-Leclerc, Frédérique; Herbinet, Olivier; Glaude, Pierre-Alexandre
  • Angewandte Chemie International Edition, Vol. 49, Issue 18
  • DOI: 10.1002/anie.200906850

New experimental evidences about the formation and consumption of ketohydroperoxides
journal, January 2011

  • Battin-Leclerc, Frédérique; Herbinet, Olivier; Glaude, Pierre-Alexandre
  • Proceedings of the Combustion Institute, Vol. 33, Issue 1
  • DOI: 10.1016/j.proci.2010.05.001

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

  • Hansen, Nils; Cool, Terrill A.; Westmoreland, Phillip R.
  • Progress in Energy and Combustion Science, Vol. 35, Issue 2
  • DOI: 10.1016/j.pecs.2008.10.001

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

  • Leone, Stephen R.; Ahmed, Musahid; Wilson, Kevin R.
  • Physical Chemistry Chemical Physics, Vol. 12, Issue 25
  • DOI: 10.1039/c001707h

Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame
journal, January 2015

  • Lucassen, Arnas; Park, Sungwoo; Hansen, Nils
  • Proceedings of the Combustion Institute, Vol. 35, Issue 1
  • DOI: 10.1016/j.proci.2014.05.008

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

  • Osswald, Patrick; Struckmeier, Ulf; Kasper, Tina
  • The Journal of Physical Chemistry A, Vol. 111, Issue 19
  • DOI: 10.1021/jp068337w

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

  • Gianturco, F. A.; Lucchese, R. R.; Sanna, N.
  • The Journal of Chemical Physics, Vol. 100, Issue 9
  • DOI: 10.1063/1.467237

Cross section and asymmetry parameter calculation for sulfur 1s photoionization of SF6
journal, September 1999

  • Natalense, Alexandra P. P.; Lucchese, Robert R.
  • The Journal of Chemical Physics, Vol. 111, Issue 12
  • DOI: 10.1063/1.479794

A Near-Threshold Shape Resonance in the Valence-Shell Photoabsorption of Linear Alkynes
journal, October 2015

  • Jacovella, U.; Holland, D. M. P.; Boyé-Péronne, S.
  • The Journal of Physical Chemistry A, Vol. 119, Issue 50
  • DOI: 10.1021/acs.jpca.5b06949

High-resolution vacuum-ultraviolet photoabsorption spectra of 1-butyne and 2-butyne
journal, July 2015

  • Jacovella, U.; Holland, D. M. P.; Boyé-Péronne, S.
  • The Journal of Chemical Physics, Vol. 143, Issue 3
  • DOI: 10.1063/1.4926541

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

  • Gans, Bérenger; Boyé-Péronne, Séverine; Broquier, Michel
  • Physical Chemistry Chemical Physics, Vol. 13, Issue 18
  • DOI: 10.1039/c0cp02627a

Photoelectron Wave Function in Photoionization: Plane Wave or Coulomb Wave?
journal, October 2015

  • Gozem, Samer; Gunina, Anastasia O.; Ichino, Takatoshi
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 22
  • DOI: 10.1021/acs.jpclett.5b01891

Photoelectron spectra of dihalomethyl anions: Testing the limits of normal mode analysis
journal, May 2011

  • Vogelhuber, Kristen M.; Wren, Scott W.; McCoy, Anne B.
  • The Journal of Chemical Physics, Vol. 134, Issue 18
  • DOI: 10.1063/1.3585606

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

  • Gans, Bérenger; Mendes, Luiz A. Vieira; Boyé-Péronne, Séverine
  • The Journal of Physical Chemistry A, Vol. 114, Issue 9
  • DOI: 10.1021/jp909414d

Absolute Photoionization Cross-Section of the Methyl Radical †
journal, October 2008

  • Taatjes, Craig A.; Osborn, David L.; Selby, Talitha M.
  • The Journal of Physical Chemistry A, Vol. 112, Issue 39
  • DOI: 10.1021/jp8022937

Absolute photoionization cross-section of the propargyl radical
journal, April 2012

  • Savee, John D.; Soorkia, Satchin; Welz, Oliver
  • The Journal of Chemical Physics, Vol. 136, Issue 13
  • DOI: 10.1063/1.3698282

Near-threshold absolute photoionization cross-sections of some reaction intermediates in combustion
journal, February 2008

  • Wang, Juan; Yang, Bin; Cool, Terrill A.
  • International Journal of Mass Spectrometry, Vol. 269, Issue 3
  • DOI: 10.1016/j.ijms.2007.10.013

Photoabsorption, photoionization, and neutral-dissociation cross sections of simple hydrocarbons in the vacuum ultraviolet range
journal, May 2002

  • Kameta, Kosei; Kouchi, Noriyuki; Ukai, Masatoshi
  • Journal of Electron Spectroscopy and Related Phenomena, Vol. 123, Issue 2-3
  • DOI: 10.1016/S0368-2048(02)00022-1

Ionization yields, total absorption, and dissociative photoionization cross sections of CH 4 from 110 to 950 Å
journal, June 1989

  • Samson, James A. R.; Haddad, G. N.; Masuoka, T.
  • The Journal of Chemical Physics, Vol. 90, Issue 12
  • DOI: 10.1063/1.456267

Photoionization mass spectrometer for studies of flame chemistry with a synchrotron light source
journal, September 2005

  • Cool, Terrill A.; McIlroy, Andrew; Qi, Fei
  • Review of Scientific Instruments, Vol. 76, Issue 9
  • DOI: 10.1063/1.2010307

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

  • Person, James C.; Nicole, Paul P.
  • The Journal of Chemical Physics, Vol. 53, Issue 5
  • DOI: 10.1063/1.1674254

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

  • Person, James C.; Nicole, Paul P.
  • The Journal of Chemical Physics, Vol. 49, Issue 12
  • DOI: 10.1063/1.1670067

VUV Photoionization Cross Sections of HO 2 , H 2 O 2 , and H 2 CO
journal, February 2015

  • Dodson, Leah G.; Shen, Linhan; Savee, John D.
  • The Journal of Physical Chemistry A, Vol. 119, Issue 8
  • DOI: 10.1021/jp508942a

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

  • Cool, Terrill A.; Wang, Juan; Nakajima, Koichi
  • International Journal of Mass Spectrometry, Vol. 247, Issue 1-3
  • DOI: 10.1016/j.ijms.2005.08.018

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

  • Cool, Terrill A.; Nakajima, Koichi; Mostefaoui, Toufik A.
  • The Journal of Chemical Physics, Vol. 119, Issue 16
  • DOI: 10.1063/1.1611173

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

  • Wang, Juan; Yang, Bin; Cool, Terrill A.
  • International Journal of Mass Spectrometry, Vol. 292, Issue 1-3
  • DOI: 10.1016/j.ijms.2010.02.010

Quantitative measurements of HO 2 /H 2 O 2 and intermediate species in low and intermediate temperature oxidation of dimethyl ether
journal, January 2015

  • Kurimoto, Naoki; Brumfield, Brian; Yang, Xueliang
  • Proceedings of the Combustion Institute, Vol. 35, Issue 1
  • DOI: 10.1016/j.proci.2014.05.120

Measurements of H2O2 in low temperature dimethyl ether oxidation
journal, January 2013

  • Guo, Huijun; Sun, Wenting; Haas, Francis M.
  • Proceedings of the Combustion Institute, Vol. 34, Issue 1
  • DOI: 10.1016/j.proci.2012.05.056

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

    Sort by:
    [ × clear filter / sort ]

    Works referencing / citing this record:

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

    • Huang, Can; Yang, Bin; Zhang, Feng
    • The Journal of Chemical Physics, Vol. 150, Issue 16
    • DOI: 10.1063/1.5088408
      Sort by:
      [ × clear filter / sort ]

      Similar Records in DOE PAGES and OSTI.GOV collections: