Rate constants for H{sub 2}CO + O{sub 2} {yields} HCO + HO{sub 2} at high temperature

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The reaction between H{sub 2}CO and O{sub 2} has been studied in a reflected shock tube apparatus between 1633--2027 K using trioxane, (H{sub 2}CO){sub 3}, as the source of H{sub 2}CO. O-atom atomic resonance absorption spectrometry (ARAS) was used to observe absolute [O]{sub t} under conditions of low [H{sub 2}CO]{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}CO and O{sub 2}. Ab initio theoretical results indicated that the process, H{sub 2}CO + O{sub 2} {yields} HCO + HO{sub 2}, is the only possible ... continued below

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25 p.

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Michael, J. V.; Su, M.-C.; Sutherland, J. W.; Fang, D.-C.; Harding, L. B. & Wagner, A. F. January 5, 2000.

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  • Argonne National Laboratory
    Publisher Info: Argonne National Laboratory, Argonne, IL (United States)
    Place of Publication: Argonne, Illinois

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The reaction between H{sub 2}CO and O{sub 2} has been studied in a reflected shock tube apparatus between 1633--2027 K using trioxane, (H{sub 2}CO){sub 3}, as the source of H{sub 2}CO. O-atom atomic resonance absorption spectrometry (ARAS) was used to observe absolute [O]{sub t} under conditions of low [H{sub 2}CO]{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}CO and O{sub 2}. Ab initio theoretical results indicated that the process, H{sub 2}CO + O{sub 2} {yields} HCO + HO{sub 2}, is the only possible reaction. After rapid HCO and HO{sub 2} dissociations, O-atoms are then instantaneously produced from H + O{sub 2} {yields} O + OH. Using the ab initio result, variational transition state theoretical calculations (CTST) give k{sub 1} = 4.4929 x 10{sup {minus}20} T{sup 2.9116} exp{minus}18692/T cm{sup 3} molecule{sup {minus}1} S{sup {minus}1}. This theoretical result is consistent with the present experimental determinations and those at lower temperatures.

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25 p.

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OSTI as DE00751868

Medium: P; Size: 25 pages

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

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  • Report No.: ANL/CHM/CP-100829
  • Grant Number: W-31109-ENG-38
  • Office of Scientific & Technical Information Report Number: 751868
  • Archival Resource Key: ark:/67531/metadc709530

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  • January 5, 2000

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  • Sept. 12, 2015, 6:31 a.m.

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  • April 10, 2017, 6:18 p.m.

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Michael, J. V.; Su, M.-C.; Sutherland, J. W.; Fang, D.-C.; Harding, L. B. & Wagner, A. F. Rate constants for H{sub 2}CO + O{sub 2} {yields} HCO + HO{sub 2} at high temperature, article, January 5, 2000; Argonne, Illinois. (digital.library.unt.edu/ark:/67531/metadc709530/: accessed September 24, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.