Chemistry computations for irradiated hot air

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A description is given of a computational model of chemical kinetics in air at temperatures between 300 and 4000$sup 0$K, with and without imposed fluxes of ionizing radiation and uv radiation, at pressures up to 10 atmospheres. Included are 1360 chemical reactions, involving 71 H, C, N, and O-containing chemical species. The reaction set is complete in the sense of including a reverse reaction for every reaction and including the dominant destruction reactions for each species produced. Photochemical reaction rates are computed in terms of a prescribed intensity and spectral distribution of radiant flux. Reactions of the metastable species O($sup ... continued below

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Pages: 58

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Sutherland, C.D. & Zinn, J. August 1, 1975.

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Description

A description is given of a computational model of chemical kinetics in air at temperatures between 300 and 4000$sup 0$K, with and without imposed fluxes of ionizing radiation and uv radiation, at pressures up to 10 atmospheres. Included are 1360 chemical reactions, involving 71 H, C, N, and O-containing chemical species. The reaction set is complete in the sense of including a reverse reaction for every reaction and including the dominant destruction reactions for each species produced. Photochemical reaction rates are computed in terms of a prescribed intensity and spectral distribution of radiant flux. Reactions of the metastable species O($sup 1$D), N($sup 2$D), O$sub 2$($sup 1$$delta$g), and O$sub 2$($sup 1$$Sigma$$sup +$/sub g/) are included explicitly, but all other quantum state populations are assumed to be in thermodynamic equilibrium. Results of several sets of model computations are described. These include: computations of rates of equilibration of systems subjected to abrupt temperature changes at a pressure of 1 atmosphere; computations of relaxation of systems subjected to impulsive sources of ionizing radiation at P = 1 atmosphere and 0.01 atm, with and without superimposed sources of optical-uv radiation; and computations of the approach to steady state in systems subjected to steady sources of ionizing radiation, for pressures between 10$sup -3$ atm and 10 atm. For computing concentrations of electrons, ions, NO, NO$sub 2$, O, N, and O$sub 3$, an abbreviated lumped-parameter reaction set was constructed with 31 reactions, designed to be incorporated in a fluid-dynamics code. Rate coefficients were calibrated against results from the 1360-reaction code for temperatures between 300 and 4000$sup 0$K and pressures between 10$sup -3$ and 10 atm. (auth)

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Pages: 58

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Dep. NTIS

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  • Other Information: Orig. Receipt Date: 30-JUN-76

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  • Report No.: LA--6055-MS
  • Grant Number: None
  • DOI: 10.2172/4140364 | External Link
  • Office of Scientific & Technical Information Report Number: 4140364
  • Archival Resource Key: ark:/67531/metadc863462

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Creation Date

  • August 1, 1975

Added to The UNT Digital Library

  • Sept. 16, 2016, 12:32 a.m.

Description Last Updated

  • Sept. 20, 2016, 7:17 p.m.

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Sutherland, C.D. & Zinn, J. Chemistry computations for irradiated hot air, report, August 1, 1975; New Mexico. (digital.library.unt.edu/ark:/67531/metadc863462/: accessed November 23, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.