Skeletal mechanism generation for high-temperature oxidation of kerosene surrogates

Wang, Quan‐De; Fang, Ya-Mei; Wang, Fan; Li, Xiangyuan

doi:10.1016/j.combustflame.2011.05.019

Cited by 35 publications

(48 citation statements)

References 48 publications

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“…An associated reduced chemical mechanism including 106 species and 382 reactions is implemented because of its reasonable accuracy in predicting global combustion characteristics in terms of detailed profiles of species concentrations, ignition delay, and laminar flame speed [32]. A laminar flamelet library is established by tabulating the solutions of counterflow diffusion flames [24].…”

Section: Resultsmentioning

confidence: 99%

Supercritical Mixing and Combustion of Liquid-Oxygen/ Kerosene Bi-Swirl Injectors

Wang

Yang

2017

Journal of Propulsion and Power

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The mixing and combustion characteristics of liquid-oxygen/kerosene bi-swirl injectors are investigated under the supercritical conditions typical of contemporary rocket engines. The basis of the study is a large-eddy simulation technique combined with a unified treatment of real-fluid thermodynamics. The turbulence/chemistry interaction is treated using a laminar flamelet library approach. Emphasis is placed on the near-field flow and flame development downstream of the inner swirler. The flame is found to be stabilized by two counter-rotating vortices in the wake region of the liquid-oxygen post, which is covered by the kerosene-rich mixture. The width of the kerosene annulus is found to significantly affect the injector behavior. A wider annulus induces a larger spreading angle of the liquidoxygen stream, which intercepts the kerosene stream in a more efficient way. Increasing the annulus width, however, imposes a wake region in a broader zone. The resultant flame becomes relatively unstable if the flame thickness is larger than the liquid-oxygen post thickness. Variation of the kerosene annulus width has a negligible effect on the dominant frequency of the pressure fluctuation, but it changes the amplitude of fluctuation.

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Section: Resultsmentioning

confidence: 99%

Supercritical Mixing and Combustion of Liquid-Oxygen/ Kerosene Bi-Swirl Injectors

Wang

Yang

2017

Journal of Propulsion and Power

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“…The JSR results at equivalence ratio of 0.2 reveal that the skeletal mechanism also shows good performance at fuel‐lean condition beyond the data sampling conditions. The simulation results from JSR indicate that skeletal mechanism generation based on data sampling from ignition delay time covering the relevant conditions also reveals good performance for JSR simulations …”

Section: Resultsmentioning

confidence: 89%

“…The skeletal mechanism should also maintain the combustion chemistry of methanol and is checked via a global reaction path analysis . The ignition dynamics for methanol combustion are analyzed by chemical explosive mode analysis (CEMA) . Finally, the skeletal mechanism is validated against a wide set of combustion properties in the literature.…”

Section: Introductionmentioning

confidence: 99%

Skeletal chemical kinetic mechanism generation for methanol combustion and systematic analysis on the ignition characteristics

Liang

Jia

Sun

et al. 2020

Asia-Pacific J Chem Eng

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A skeletal chemical kinetic mechanism for methanol combustion is developed based on a comprehensive detailed mechanism (AramcoMech 3.0), which consists of 581 species and 3,037 reactions. The systematic skeletal mechanism reduction methods are applied to the detailed mechanism to obtain a minimal skeletal mechanism. Systematic mechanism analysis including global reaction path and sensitivity analysis are performed to identify key reactions relevant to methanol oxidation. Species relevant to the combustion chemistry of methanol are analyzed through global reaction path and compared with other reduced mechanisms, which highlights the importance of maintaining realistic chemistry in skeletal mechanism. Brute-force sensitivity analysis and chemical explosive mode analysis are employed to analyze the ignition properties of methanol. The performance of the skeletal mechanism is validated against a wide range of pressures, temperatures, and equivalence ratios for ignition, species concentrations, and laminar flame speeds. This work not only presents a minimal skeletal mechanism for methanol combustion based on systematic mechanism reduction methods from very large detailed mechanisms but also provides insight into the chemical kinetics of methanol combustion. K E Y W O R D Scombustion kinetics, ignition, methanol, skeletal mechanism

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“…Herethesummationincludesallpossiblereactionpaths (fluxes)relatingAandB.Tocarryoutmechanismreductionus-ingPFA,athresholdvalue ε andasetofpreselectedspecies (e.g.,A)needtobespecified.If rAB<ε,speciesBwillberemovedfromthemechanism.Ontheotherhand,speciesBisselectedwhen rAB≥ ε.Afterdeletingunimportantspeciesandinvolvedreactions,theskeletalmechanismcanbeobtained. 52,60 ThePFAprogramhasbeenimplementedthroughaninterface toChemkin-SENKIN. 61,62 Inmechanismreduction,ignitiondelaytimewaschosenas thetargetparameter.Theignitiondelaytimewasdefinedasthe timewiththemaximumvalueof(dxOH/dt),where xOH istheconcentration(molefraction)oftheradicalOH.Toachieveskeletalmechanismswithwideapplicability,reactionratesatpoints aroundignitiondelaytimeunderconditionsofhigh-temperatures(1000-1600K),highpressures(1.0×10 5 ,5.0 × 10 5 ,1.0× 10 6 Pa),andequivalenceratios( ϕ=0.5,1.0,2.0)fromsimula-tionsusingChemkin-SENKIN 61,62 wereusedinPFA.Thefuel, oxygen,andnitrogenwerechosenasinitialcomponentsin mechanismreduction,andnumbersofspeciesandreactionsin theobtainedskeletalmechanismsforthesealkanesarelistedin Table1.Becauseadequatethresholdvaluesselectedforfouralkanesweredifferentforobtainingthesmallesterrorinreductionprocess,numbersofspeciesandreactionsofreduced mechanismsdonotincreaseasthenumberofcarbonatomsin alkanesincreases.…”

Section: Skeletalmechanismmentioning

confidence: 99%

Systematic Approach to Automatic Construction of High-Temperature Combustion Mechanisms of Alkanes

Guo¹,

四川大学化学工程学院²,

Xiao-Xiao³

et al. 2014

Acta Physico-Chimica Sinica

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Skeletal mechanism generation for high-temperature oxidation of kerosene surrogates

Cited by 35 publications

References 48 publications

Supercritical Mixing and Combustion of Liquid-Oxygen/ Kerosene Bi-Swirl Injectors

Supercritical Mixing and Combustion of Liquid-Oxygen/ Kerosene Bi-Swirl Injectors

Skeletal chemical kinetic mechanism generation for methanol combustion and systematic analysis on the ignition characteristics

Systematic Approach to Automatic Construction of High-Temperature Combustion Mechanisms of Alkanes

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