Modeling Nitrogen Species as Pollutants: Thermochemical Influences
نویسندگان
چکیده
منابع مشابه
Modeling Nitrogen Species as Pollutants: Thermochemical Influences.
To simulate emissions of nitrogen-containing compounds in practical combustion environments, it is necessary to have accurate values for their thermochemical parameters, as well as accurate kinetic values to describe the rates of their formation and decomposition. Significant disparity is observed in the literature for the former, and we therefore present herein high-accuracy ab initio gas-phas...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2016
ISSN: 1089-5639,1520-5215
DOI: 10.1021/acs.jpca.6b05723