Combustion and Pyrolysis Kinetics of Chloropicrin
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چکیده
منابع مشابه
Initiation mechanisms and kinetics of pyrolysis and combustion of JP-10 hydrocarbon jet fuel.
In order to investigate the initiation mechanisms and kinetics associated with the pyrolysis of JP-10 (exo-tricyclo[5.2.1.0(2,6)]decane), a single-component hydrocarbon jet fuel, we carried out molecular dynamics (MD) simulations employing the ReaxFF reactive force field. We found that the primary decomposition reactions involve either (1) dissociation of ethylene from JP-10, resulting in the f...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2018
ISSN: 1089-5639,1520-5215
DOI: 10.1021/acs.jpca.8b04007