Determination of the rate of H+O2+M→HO2+M (M=N2, Ar, H2O) from ignition of syngas at practical conditions

The effect of temperature on the adiabatic burning velocities of diluted hydrogen flames: A kinetic study using an updated mechanism

“…S1-S5). Most recent experiments of Mertens et al [73] agree well with the earlier measurements. In the present mechanism the rate expressions recommended by Michael et al [72] for N 2 , Ar and O 2 are adopted.…”

“…Although Troe [66] estimated a reliability of his recommended rates to be about 20%, the discrepancy between different experimental data [70][71][72][73][74][75] and new expressions proposed and implemented by Shimizu et al [43], Burke et al [33] and Keromnes et al [22] is still about 30-40% as illustrated in the Supplemental material (Figs. S1-S5).…”

An improved H2/O2 mechanism based on recent shock tube/laser absorption measurements

“…At about the same time, Sellevåg et al [17] conducted a separate theoretical study for the highpressure limit and fall-off behavior of the reaction. At higher temperatures, the only direct measurement in the fall-off region was reported by Bates et al [43]; a few indirect evaluations based on shock tube ignition delay times exist, for example, by Pang et al [52] and by Mertens et al [53]. The three recent high-pressure studies (Fernandes et al [18], Sellevåg et al [17], and Bates et al [43]) reported significantly different high-pressure limiting rate constants (k 2,1 ) and center broadening factors (F cent ).…”

An assessment of chemical kinetics for bio-syngas combustion

“…Interestingly enough, Mertens et al [22] viewed H þ O 2 þ M ! HO 2 þ M as one of the most important reactions for syngas combustion, since it inhibits combustion by reducing the concentration of the more reactive free radical H. This led them to carefully estimate its kinetic parameters through shock tube ignition experiments.…”

“…Since most reaction mechanisms describing the combustion of methane and other small hydrocarbons found in the literature have been developed and validated for separate fuels following a step-by-step progressive approach, there is (a priory) no warrant that they will be able to deliver reasonable predictions of reactant mixtures as in the case of syngas, let alone bio-syngas [19,20]. This concern has led several authors to develop and experimentally validate detailed reaction mechanisms specially tailored for capturing the complex interactions taking place between carbon monoxide and hydrogen [21][22][23]. Such mechanisms can then be reduced to obtain models sufficiently simple for their use in CFD methodologies including direct and large-eddy simulations [24].…”