Application of the GRI 1.2 methane oxidation model to methane and methanol oxidation in supercritical water
Conference
·
OSTI ID:244527
- Sandia National Labs., Livermore, CA (United States). Combustion Research Facility
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.
- Research Organization:
- Sandia National Labs., Livermore, CA (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States); Department of Defense, Washington, DC (United States); Environmental Protection Agency, Washington, DC (United States)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 244527
- Report Number(s):
- SAND--96-8508C; CONF-960772--14; ON: DE96008709
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
03 NATURAL GAS
10 SYNTHETIC FUELS
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEFENSE
C CODES
CHEMICAL EXPLOSIVES
CHEMICAL REACTION KINETICS
FORMALDEHYDE
HAZARDOUS MATERIALS
MATHEMATICAL MODELS
METHANE
METHANOL
OXIDATION
SUPERCRITICAL STATE
SYNTHESIS
10 SYNTHETIC FUELS
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEFENSE
C CODES
CHEMICAL EXPLOSIVES
CHEMICAL REACTION KINETICS
FORMALDEHYDE
HAZARDOUS MATERIALS
MATHEMATICAL MODELS
METHANE
METHANOL
OXIDATION
SUPERCRITICAL STATE
SYNTHESIS