Chemical kinetics modeling for combustion of Al in CO2
نویسندگان
چکیده
A detailed reaction mechanism for the oxidation of aluminum with CO2 in gas phase has been investigated. Quantum chemical calculations were performed to obtain molecular structures intermediates and transition states on pathways. highly accurate method was applied calculate potential energies thermodynamic properties structures. The rate coefficients each path also obtained from theory. kinetic model constructed molecules. Chemical analysis showed Al + ⇔ AlO CO Al2 Al2O predominant that system.
منابع مشابه
Chemical-looping combustion (CLC) for inherent CO2 separations—a review
Article history: Received 20 September 2007 Received in revised form 14 May 2008 Accepted 20 May 2008 Available online 29 May 2008
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ژورنال
عنوان ژورنال: Combustion and Flame
سال: 2021
ISSN: ['1556-2921', '0010-2180']
DOI: https://doi.org/10.1016/j.combustflame.2021.111613