Energy transfer in reactive and non-reactive H/sub 2/ + OH collisions

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We have used the methods of quasi-classical dynamics to compute energy transfer properties of non-reactive and reactive H/sub 2/ + OH collisions. Energy transfer has been investigated as function of translational temperature, reagent rotational energy, and reagent vibrational energy. The energy transfer mechanism is complex with ten types of energy transfer possible, and evidence was found for all types. There is much more exchange between the translational degree of freedom and the H/sub 2/ vibrational degree of freedom than there is between translation and OH vibration. Translational energy is transferred to the rotational degrees of freedom of each molecule. There ... continued below

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Pages: 48

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Rashed, O. & Brown, N.J. April 1, 1985.

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We have used the methods of quasi-classical dynamics to compute energy transfer properties of non-reactive and reactive H/sub 2/ + OH collisions. Energy transfer has been investigated as function of translational temperature, reagent rotational energy, and reagent vibrational energy. The energy transfer mechanism is complex with ten types of energy transfer possible, and evidence was found for all types. There is much more exchange between the translational degree of freedom and the H/sub 2/ vibrational degree of freedom than there is between translation and OH vibration. Translational energy is transferred to the rotational degrees of freedom of each molecule. There is a greater propensity for the transfer of translation to OH rotation than H/sub 2/ rotation. In reactive collisions, increases in reagent translational temperature predominantly appear as vibrational energy in the water molecule. Energy transfer in non-reactive and reactive collisions does not depend strongly on the initial angular momentum in either molecule. In non-reactive collisions, vibrational energy is transferred to translation, to the rotational degree of freedom of the same molecule, and to the rotational and vibrational degrees of freedom of the other molecule. In reactive collisions, the major effect of increasing the vibrational energy in reagent molecules is that, on the average, the vibrational energy of the reagents appears as product vibrational energy. 18 refs., 16 figs., 6 tabs.

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Pages: 48

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NTIS, PC A03/MF A01.

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  • Central States Section and Western States Section of the Combustion Institute spring technical meeting, San Antonio, TX, USA, 22 Apr 1985

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  • Other: DE85011156
  • Report No.: LBL-19458
  • Report No.: CONF-8504113-2
  • Grant Number: AC03-76SF00098
  • Office of Scientific & Technical Information Report Number: 5702512
  • Archival Resource Key: ark:/67531/metadc1093362

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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  • April 1, 1985

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  • Feb. 10, 2018, 10:06 p.m.

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  • April 25, 2018, 4:10 p.m.

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Rashed, O. & Brown, N.J. Energy transfer in reactive and non-reactive H/sub 2/ + OH collisions, article, April 1, 1985; [Berkeley,] California. (digital.library.unt.edu/ark:/67531/metadc1093362/: accessed December 12, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.