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Title: Direct measurement of ˙OH and HO 2˙ formation in ˙R + O 2 reactions of cyclohexane and tetrahydropyran

A comparison of two fuels demonstrates how analysis of ˙OH and HO 2˙ formation kineticsviathe eigenvalues of a system of simplified kinetic equations can give mechanistic insights.
Authors:
 [1] ; ORCiD logo [2] ;  [3] ; ORCiD logo [1] ; ORCiD logo [1]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. Univ. of Georgia, Athens, GA (United States)
  3. Academia Sinica, Taipei (Taiwan)
Publication Date:
Report Number(s):
SAND-2018-9931J
Journal ID: ISSN 1463-9076; PPCPFQ; 667766
Grant/Contract Number:
AC04-94AL85000
Type:
Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); Journal Volume: 20; Journal Issue: 16; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Research Org:
Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1473949

Chen, Ming-Wei, Rotavera, Brandon, Chao, Wen, Zádor, Judit, and Taatjes, Craig A. Direct measurement of ˙OH and HO2˙ formation in ˙R + O2 reactions of cyclohexane and tetrahydropyran. United States: N. p., Web. doi:10.1039/C7CP08164B.
Chen, Ming-Wei, Rotavera, Brandon, Chao, Wen, Zádor, Judit, & Taatjes, Craig A. Direct measurement of ˙OH and HO2˙ formation in ˙R + O2 reactions of cyclohexane and tetrahydropyran. United States. doi:10.1039/C7CP08164B.
Chen, Ming-Wei, Rotavera, Brandon, Chao, Wen, Zádor, Judit, and Taatjes, Craig A. 2018. "Direct measurement of ˙OH and HO2˙ formation in ˙R + O2 reactions of cyclohexane and tetrahydropyran". United States. doi:10.1039/C7CP08164B.
@article{osti_1473949,
title = {Direct measurement of ˙OH and HO2˙ formation in ˙R + O2 reactions of cyclohexane and tetrahydropyran},
author = {Chen, Ming-Wei and Rotavera, Brandon and Chao, Wen and Zádor, Judit and Taatjes, Craig A.},
abstractNote = {A comparison of two fuels demonstrates how analysis of ˙OH and HO2˙ formation kineticsviathe eigenvalues of a system of simplified kinetic equations can give mechanistic insights.},
doi = {10.1039/C7CP08164B},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 16,
volume = 20,
place = {United States},
year = {2018},
month = {2}
}

Works referenced in this record:

The HITRAN2012 molecular spectroscopic database
journal, November 2013
  • Rothman, L. S.; Gordon, I. E.; Babikov, Y.
  • Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 130, p. 4-50
  • DOI: 10.1016/j.jqsrt.2013.07.002

Bimetallic catalysts for upgrading of biomass to fuels and chemicals
journal, January 2012
  • Alonso, David Martin; Wettstein, Stephanie G.; Dumesic, James A.
  • Chemical Society Reviews, Vol. 41, Issue 24, p. 8075-8098
  • DOI: 10.1039/c2cs35188a