Combustion simulations of AlH3 and ethanol nanofluid by ReaxFF

Fuel(2023)

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摘要
•A novel combustion mechanism of AlH3 and ethanol nanofluid fuel was probed by ReaxFF simulations.•AlH3 accelerates the decomposition of ethanol, reduces the ignition delay and the activation energy required for combustion decomposition of ethanol.•Ethanol mainly undergoes bimolecular decomposition reactions with O2, HO2 and OH.•The effect of Al2O3 oxide layer on AlH3 and ethanol nanofluid fuel is demonstrated.
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关键词
ethanol nanofluid,combustion simulations,alh3
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