Application of the GRI 1.2 methane oxidation model to methane and methanol oxidation in supercritical water

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The GRI 1.2 mechanism is used to predict the oxidation rates of methane and methanol by oxygen in supercritical water at 250 bar and temperatures ranging from 420--630 C. Using the Chemkin II computational package which assumes an ideal gas equation of state, the GRI model does very well in representing the available experimental results on methane over a wide temperature and concentration rate. However, the model may lack key CH{sub 3}O{sub 2} reactions needed for a complete description in the < 450 C region. The oxidation of methanol and formation of formaldehyde is not well represented by the GRI ... continued below

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28 p.

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Rice, S. F. May 1996.

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  • Rice, S. F. Sandia National Labs., Livermore, CA (United States). Combustion Research Facility

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  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Livermore, CA (United States)
    Place of Publication: Livermore, California

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Description

The GRI 1.2 mechanism is used to predict the oxidation rates of methane and methanol by oxygen in supercritical water at 250 bar and temperatures ranging from 420--630 C. Using the Chemkin II computational package which assumes an ideal gas equation of state, the GRI model does very well in representing the available experimental results on methane over a wide temperature and concentration rate. However, the model may lack key CH{sub 3}O{sub 2} reactions needed for a complete description in the < 450 C region. The oxidation of methanol and formation of formaldehyde is not well represented by the GRI mechanism when left unchanged. If two important modifications are made to the reactivity of HO{sub 2}, good agreement with the methanol oxidation results is achieved. This paper illustrates that the carefully-assembled GRI 1.2 mechanism, although designed for conventional combustion conditions, can be successfully extended with very little modification to much lower temperature and extreme pressure conditions. The purpose of this study is to understand the operative chemical kinetics of supercritical water oxidation required for the more efficient application of this technology to treatment of hazardous wastes, obsolete munitions, rocket motors, and chemical warfare agents.

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28 p.

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OSTI as DE96008709

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  • 26. international symposium on combustion, Naples (Italy), 28 Jul - 2 Aug 1996

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  • Other: DE96008709
  • Report No.: SAND--96-8508C
  • Report No.: CONF-960772--14
  • Grant Number: AC04-94AL85000
  • Office of Scientific & Technical Information Report Number: 244527
  • Archival Resource Key: ark:/67531/metadc664054

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  • May 1996

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  • June 29, 2015, 9:42 p.m.

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  • Nov. 18, 2015, 6:07 p.m.

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Rice, S. F. Application of the GRI 1.2 methane oxidation model to methane and methanol oxidation in supercritical water, article, May 1996; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc664054/: accessed July 18, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.