Initiation in H{sub 2}/O{sub 2}: Rate constants for H{sub 2} + O{sub 2} {yields} H + HO{sub 2} at high temperature

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The reaction between H{sub 2} and O{sub 2} has been studied in a reflected shock tube apparatus between 1662--2097 K. O-atom atomic resonance absorption spectrometry (ARAS) was used to observe absolute [O]{sub t} under conditions of low [H{sub 2}]{sub 0} so that most secondary reactions were negligible. Hence, the observed [O]{sub t}, was the direct result of the rate controlling reaction between H{sub 2} and O{sub 2}. Three different reactions were considered, but experimental and ab initio theoretical results both indicated that the process, H{sub 2} + O{sub 2} {yields} H + HO{sub 2}, is the only possible reaction. After ... continued below

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21 p.

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Michael, J. V.; Sutherland, J. W.; Harding, L. B. & Wagner, A. F. November 2, 1999.

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The reaction between H{sub 2} and O{sub 2} has been studied in a reflected shock tube apparatus between 1662--2097 K. O-atom atomic resonance absorption spectrometry (ARAS) was used to observe absolute [O]{sub t} under conditions of low [H{sub 2}]{sub 0} so that most secondary reactions were negligible. Hence, the observed [O]{sub t}, was the direct result of the rate controlling reaction between H{sub 2} and O{sub 2}. Three different reactions were considered, but experimental and ab initio theoretical results both indicated that the process, H{sub 2} + O{sub 2} {yields} H + HO{sub 2}, is the only possible reaction. After rapid HO{sub 2} dissociation, O-atoms are then instantaneously produced by H + O{sub 2} {yields} O + OH. Using the ab initio result, conventional transition state theoretical calculations (CTST) with tunneling corrections give the expression: k = 1.228 x 10{sup {minus}18} T{sup 2.4328} exp({minus}26926 K/T) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}, applicable between 400 and 2,300 K. This theoretical result agrees with the present experimental determinations and those at lower temperature, derived from earlier work on the reverse reaction.

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21 p.

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OSTI as DE00750572

Medium: P; Size: 21 pages

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  • 28th International Symposium on Combustion, Edinburgh, Scotland (GB), 07/30/2000--08/04/2000

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  • Report No.: ANL/CHM/CP-100372
  • Grant Number: W-31109-ENG-38
  • Office of Scientific & Technical Information Report Number: 750572
  • Archival Resource Key: ark:/67531/metadc706498

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  • November 2, 1999

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  • Sept. 12, 2015, 6:31 a.m.

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  • April 7, 2017, 7:24 p.m.

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Michael, J. V.; Sutherland, J. W.; Harding, L. B. & Wagner, A. F. Initiation in H{sub 2}/O{sub 2}: Rate constants for H{sub 2} + O{sub 2} {yields} H + HO{sub 2} at high temperature, article, November 2, 1999; Illinois. (digital.library.unt.edu/ark:/67531/metadc706498/: accessed May 23, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.