An experimental and kinetic modeling study on the high-temperature ignition and pyrolysis characteristics of cyclohexylamine

Ab initio kinetic study on the abstraction reactions of methylcyclohexane and implications for high‐temperature ignition simulations from shock tube experiment

“…However, it has been confirmed that the employed TST method can generally achieve a moderate accuracy of the studied reactions. [57][58][59] In addition, the formation of complexes is only kinetically important under very low temperature conditions. 56,60 Thus, the present method for the rate constant calculations is acceptable and accurate.…”

“…The fitted Arrhenius expression also provides a direct and visual way for the comparisons of reactivity of similar fuels. To be more specific, the present results of MCH can be more explicitly compared with that of cyclohexylamine (CHA) 57 and nitrocyclohexane (NCH), 62 whose IDTs were performed under the same fuel concentration and diluted conditions. For clarity, the IDTs of CHA are fitted in this work, and the derived general Arrhenius expression is τ ign(air) (s) = 1.45 × 10 −13 [CHA] 0.21 [O 2 ] −1.13 exp (114924/RT), while the IDTs of NCH fitted by Wang et al 62 is τ ign(air) (s) = 3.97 × 10 −12 [NCH] −0.54 [O 2 ] 0.01 exp (95344/RT).…”

“…The rate constants used in JetSurF II tend to significantly underestimate the rate constants especially at low temperature conditions compared with similar reactions. Generally, the abstraction reactions with OH radical show a small exponential trend as a function of temperature 57.…”

A shock-tube experimental and kinetic simulation study on the autoignition of methane at ultra-lean and lean conditions

“…The ignition kinetics of methane under ultra-lean and lean conditions are studied using a ST facility at North University of China, which has been detailed and validated in previous studies [ [29] , [30] , [31] , [32] ]. A short description of the ST is given here for simplicity.…”

Insights into the role of the H-abstraction reaction kinetics of amines in understanding their degeneration fates under atmospheric and combustion conditions

“…In the past few decades, extensive efforts have been dedicated to investigating the combustion chemistry of amines, especially MA, 114,134,136–147 while studies on EA, 148–152 DMA, 148,151,153,154 PA, 155–161 and larger amines 162 are still insufficient. The OH and H radicals are the most common and abundant reactive oxidants in the combustion process, as depicted in Fig.…”