scholarly journals Development of Natural Gas Chemical Kinetic Mechanisms and Application in Engines: A Review

ACS Omega ◽  
2021 ◽  
Author(s):  
Zhangning Wei ◽  
Menghan Li ◽  
Su Li ◽  
Ruxiao Wang ◽  
Chengjun Wang
Keyword(s):  
Natural Gas ◽  
Chemical Kinetic ◽  
Kinetic Mechanisms

scholarly journals Evaluation of reduced chemical kinetic mechanisms used for modeling mild combustion for natural gas

2009 ◽  
Vol 13 (3) ◽  
pp. 131-137 ◽  
Author(s):  
Mohamed Hamdi ◽  
Hmaeid Benticha ◽  
Mohamed Sassi
Keyword(s):  
Natural Gas ◽  
Chemical Kinetic ◽  
Gas Temperature ◽  
Combustion Mode ◽  
Reduced Mechanism ◽  
Mild Combustion ◽  
Reduced Chemistry ◽  
Key Species ◽  
Kinetic Mechanisms ◽  
Step Mechanism

A numerical and parametric study was performed to evaluate the potential of reduced chemistry mechanisms to model natural gas chemistry including NOx chemistry under mild combustion mode. Two reduced mechanisms, 5-step and 9-step, were tested against the GRI-Mech3.0 by comparing key species, such as NOx, CO2 and CO, and gas temperature predictions in idealized reactors codes under mild combustion conditions. It is thus concluded that the 9-step mechanism appears to be a promising reduced mechanism that can be used in multi-dimensional codes for modeling mild combustion of natural gas.

A Reduced Chemical Kinetic Mechanism for CFD Simulations of High BMEP, Lean-Burn Natural Gas Engines

2012 ◽  
Author(s):  
David Martinez-Morett ◽  
Luigi Tozzi ◽  
Anthony J. Marchese
Keyword(s):  
High Pressure ◽  
Natural Gas ◽  
Chemical Kinetic ◽  
Cfd Simulations ◽  
Lean Burn ◽  
Gas Engine ◽  
Natural Gas Engines ◽  
Natural Gas Engine ◽  
Kinetic Mechanisms ◽  
Lean Conditions

Recent developments in numerical techniques and computational processing power now permit time-dependent, multi-dimensional computational fluid dynamic (CFD) calculations with reduced chemical kinetic mechanisms (approx. 20 species and 100 reactions). Such computations have the potential to be highly effective tools for designing lean-burn, high BMEP natural gas engines that achieve high fuel efficiency and low emissions. Specifically, these CFD simulations can provide the analytical tools required to design highly optimized natural gas engine components such as pistons, intake ports, precombustion chambers, fuel systems and ignition systems. To accurately model the transient, multi-dimensional chemically reacting flows present in these systems, chemical kinetic mechanisms are needed that accurately reproduce measured combustion data at high pressures and lean conditions, but are of sufficient size to enable reasonable computational times. Presently these CFD models cannot be used as accurate design tools for application in high BMEP lean-burn gas engines because existing detailed and reduced mechanisms fail to accurately reproduce experimental flame speed and ignition delay data for natural gas at high pressure (40 atm and higher) and lean (0.6 equivalence ratio (ϕ) and lower) conditions. Existing methane oxidation mechanisms have typically been validated with experimental conditions at atmospheric and intermediate pressures (1 to 20 atm) and relatively rich stoichiometry. These kinetic mechanisms are not adequate for CFD simulation of natural gas combustion in which elevated pressures and very lean conditions are typical. This paper provides an analysis, based on experimental data, of the laminar flame speed computed from numerous, detailed chemical kinetic mechanisms for methane combustion at pressures and equivalence ratios necessary for accurate high BMEP, lean-burn natural gas engine modeling. A reduced mechanism that was shown previously to best match data at moderately lean and high pressure conditions was updated for the conditions of interest by performing sensitivity analysis using CHEMKIN. The reaction rate constants from the most sensitive reactions were appropriately adjusted in order to obtain a better agreement at high pressure lean conditions. An evaluation of this adjusted mechanism, “MD19”, was performed using Converge CFD software. The results were compared to engine data and a remarkable improvement on combustion performance prediction was obtained with the MD19 mechanism.

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

Evaluation of Kinetic Mechanisms for Direct Fired Supercritical Oxy-Combustion of Natural Gas

2016 ◽  
Author(s):  
Shane Coogan ◽  
Xiang Gao ◽  
Aaron McClung ◽  
Wenting Sun
Keyword(s):  
Carbon Dioxide ◽  
Natural Gas ◽  
San Diego ◽  
Laminar Flame ◽  
Flame Speed ◽  
Laminar Flame Speed ◽  
Validation Data ◽  
Data Set ◽  
Reduced Mechanism ◽  
Kinetic Mechanisms

Existing kinetic mechanisms for natural gas combustion are not validated under supercritical oxy-fuel conditions because of the lack of experimental validation data. Our studies show that different mechanisms have different predictions under supercritical oxy-fuel conditions. Therefore, preliminary designers may experience difficulties when selecting a mechanism for a numerical model. This paper evaluates the performance of existing chemical kinetic mechanisms and produces a reduced mechanism for preliminary designers based on the results of the evaluation. Specifically, the mechanisms considered were GRI-Mech 3.0, USC-II, San Diego 204-10-04, NUIG-I, and NUIG-III. The set of mechanisms was modeled in Cantera and compared against the literature data closest to the application range. The high pressure data set included autoignition delay time in nitrogen and argon diluents up to 85 atm and laminar flame speed in helium diluent up to 60 atm. The high carbon dioxide data set included laminar flame speed with 70% carbon dioxide diluent and the carbon monoxide species profile in an isothermal reactor with up to 95% carbon dioxide diluent. All mechanisms performed adequately against at least one dataset. Among the evaluated mechanisms, USC-II has the best overall performance and is preferred over the other mechanisms for use in the preliminary design of supercritical oxy-combustors. This is a significant distinction; USC-II predicts slower kinetics than GRI-Mech 3.0 and San Diego 2014 at the combustor conditions expected in a recompression cycle. Finally, the global pathway selection method was used to reduce the USC-II model from 111 species, 784 reactions to a 27 species, 150 reactions mechanism. Performance of the reduced mechanism was verified against USC-II over the range relevant for high inlet temperature supercritical oxy-combustion.

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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