作者
Chowdhury Ashraf, Sharmin Shabnam, Abhishek Jain, Yuan Xuan, Adri CT van Duin
发表日期
2019/1/1
期刊
Fuel
卷号
235
页码范围
194-207
出版商
Elsevier
简介
Combustion devices such as rocket engines, gas turbines and HCCI engines frequently operate at a pressure higher than the critical pressure of the fuel or the oxidizer. This significantly limits the transferability of existing chemical kinetics models as they are developed and validated at low pressure/temperature conditions, considering only temperature dependence on the reaction rates while neglecting pressure dependence on combustion pathways. Since the experiments are difficult to perform at the supercritical region, in this study, we demonstrate the capability of ReaxFF reactive force field method simulations to study combustion kinetics of fuels and fuel mixtures at these conditions with an objective to investigate how the presence of a highly reactive fuel can alter the properties of a much less reactive fuel during pyrolysis. We consider two different fuel mixtures, namely JP-10/toluene and n-dodecane/toluene …
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