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Reactive molecular dynamics simulation and chemical kinetic modeling of ammonia/methane co-combustion

Ying Guo, Hui Shi,Hao Liu, Yongqian Xie,Yulei Guan

FUEL（2023）

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Abstract
•Effects of CH4 mixing ratio and O2 concentration on NH3/CH4 combustion are studied.•The mechanisms of NO formation and reduction are clarified.•The microkinetic of NH3/CH4 co-combustion is revealed.•Develop and validate the optimized mechanism and skeletal model for the NH3/CH4 co-combustion.
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Key words
Ammonia/Methane co-combustion,O2 equivalence ratio,Reactive molecular dynamics,Chemical kinetic mechanism
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