scholarly journals Automated generation of chemical kinetic mechanisms of Fischer-Tropsch (F-T) gas-to-liquid fuel surrogates

2020 ◽  
Author(s):  
Chikpezili Ebubechukwu Ajulu
Keyword(s):  
Liquid Fuel ◽  
Chemical Kinetic ◽  
Fischer Tropsch ◽  
Automated Generation ◽  
Kinetic Mechanisms ◽  
Gas To Liquid ◽  
Fuel Surrogates

scholarly journals Fuel-Rich Premixed n-Heptane/Toluene Flame: a Molecular Beam Mass Spectrometry and Chemical Kinetic Study

2014 ◽  
Vol 16 (2-3) ◽  
pp. 219
Author(s):  
D.A. Knyazkov ◽  
N.A. Slavinskaya ◽  
A.M. Dmitriev ◽  
A.G. Shmakov ◽  
O.P. Korobeinichev ◽  
...  
Keyword(s):  
Mole Fraction ◽  
Volume Ratio ◽  
Chemical Kinetic ◽  
Liquid Volume ◽  
Data Set ◽  
Kinetic Reaction ◽  
Molecular Beam Mass Spectrometry ◽  
Soot Precursors ◽  
Kinetic Mechanisms ◽  
Fuel Surrogates

<p>The mole fraction profiles of major flame species and intermediates including PAH precursors are measured in an atmospheric premixed burner-stabilized fuel-rich (<em>φ</em> = 1.75) <em>n</em>-heptane/toluene/O<sub>2</sub>/Ar flame (<em>n</em>-heptane/toluene ratio is 7:3 by liquid volume). These data are simulated with a detailed, extensively validated chemical kinetic reaction mechanism for combustion of <em>n</em>-heptane/toluene mixture, involving the reactions of PAH formation. The mechanism is extended with cross reactions for <em>n</em>-heptane and toluene derivatives. A satisfactory agreement between the new experimental data on the structure of <em>n</em>-heptane/toluene flame and the numerical simulations is observed. The mechanism reported can be successfully used in the models of practical fuel surrogates for reproducing the formation of soot precursors. The analysis of the reaction pathways shows that in the flame of the <em>n</em>-heptane/toluene blend (7:3 liquid volume ratio) the reactions dominant for the formation of the first aromatic ring (benzene and phenyl) are as those typical for pure toluene flames. The discrepancies between the measured and calculated species mole fractions are detected as well. The steps for the mechanism improvements are determined on the basis of the sensitivity analysis performed. To our knowledge, the measurements of mole fraction profiles of PAH and intermediates reported here, are the first of its kind and represent an unique data set extremely important for validation of chemical kinetic mechanisms for combustion of practical fuels.</p><p> </p>

scholarly journals Chemical kinetic mechanisms and scaling of two-dimensional polymers via irreversible solution-phase reactions

2021 ◽  
Vol 154 (19) ◽  
pp. 194901
Author(s):  
Ge Zhang ◽  
Yuwen Zeng ◽  
Pavlo Gordiichuk ◽  
Michael S. Strano
Keyword(s):  
Chemical Kinetic ◽  
Solution Phase ◽  
Two Dimensional ◽  
Kinetic Mechanisms

scholarly journals Simulation of a GOx-GCH4 Rocket Combustor and the Effect of the GEKO Turbulence Model Coefficients

Aerospace ◽  
2021 ◽  
Vol 8 (11) ◽  
pp. 341
Author(s):  
Evgeny Strokach ◽  
Victor Zhukov ◽  
Igor Borovik ◽  
Andrej Sternin ◽  
Oscar J. Haidn
Keyword(s):  
Experimental Data ◽  
Heat Flux ◽  
Turbulence Model ◽  
Chemical Kinetic ◽  
Wall Heat Flux ◽  
Combustion Model ◽  
Combustion Chambers ◽  
Separation Parameter ◽  
Kinetic Mechanisms ◽  
Stable Performance

In this study, a single injector methane-oxygen rocket combustor is numerically studied. The simulations included in this study are based on the hardware and experimental data from the Technical University of Munich. The focus is on the recently developed generalized k–ω turbulence model (GEKO) and the effect of its adjustable coefficients on the pressure and on wall heat flux profiles, which are compared with the experimental data. It was found that the coefficients of ‘jet’, ‘near-wall’, and ‘mixing’ have a major impact, whereas the opposite can be deduced about the ‘separation’ parameter Csep, which highly influences the pressure and wall heat flux distributions due to the changes in the eddy-viscosity field. The simulation results are compared with the standard k–ε model, displaying a qualitatively and quantitatively similar behavior to the GEKO model at a Csep equal to unity. The default GEKO model shows a stable performance for three oxidizer-to-fuel ratios, enhancing the reliability of its use. The simulations are conducted using two chemical kinetic mechanisms: Zhukov and Kong and the more detailed RAMEC. The influence of the combustion model is of the same order as the influence of the turbulence model. In general, the numerical results present a good or satisfactory agreement with the experiment, and both GEKO at Csep = 1 or the standard k–ε model can be recommended for usage in the CFD simulations of rocket combustion chambers, as well as the Zhukov–Kong mechanism in conjunction with the flamelet approach.

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