Development of a Parallel Unstructured Multigrid Solver for Laminar Flame Simulations with Detailed Chemistry and Transport

2001 ◽  
pp. 181-198 ◽  
Author(s):  
S. Paxion ◽  
R. Baron ◽  
A. Gordner ◽  
N. Neuss ◽  
P. Bastian ◽  
...  
Author(s):  
Fredrik Hermann ◽  
Thomas Zeuch ◽  
Jens Klingmann

New high-efficiency power cycles and environmentally friendly cycles have introduced combustion atmospheres that differ from the traditional hydrocarbon-air mixtures. Wet cycles, solid oxide fuel cell with a gas turbine (SOFC-GT), CO2 separation/capture and biogas combustion are processes that involve high concentrations of inert gases such as H2O, CO2 and N2. These new combustion atmospheres have not been well characterized for premixed flames, hence greater interest is attached how NOx formation is affected. At combustion temperatures above 1800 K, NOx emission is dominated by thermal NOx. The thermal NOx mechanism consists of three elementary reactions. The process is known to be exponential in combustion temperature, but it is also comparably slow and thus dependent on the residence time and the temperature in the post-flame zone. To model the flame, code for a one-dimensional flame with detailed chemistry was used. The flame code solves the combustion evolvement for a one-dimensional, premixed laminar flame. Detailed chemistry was used to model the chemical kinetics. NOx production was described by a NOx mechanism, including thermal, prompt and N2O intermediate. Altogether, the mechanisms consisted of 116 species and 713 reactions. The cases investigated were all premixed flames, diluted with either H2O, CO2, N2 or Ar. The cases used a constant combustion temperature of 2000 K and different pressure levels. All cases were investigated at constant inlet air-fuel temperature and varying equivalence ratio. The rate of formation of NO was investigated for both natural gas and hydrogen flames. The rate of formation of NO is reduced by the addition of any diluents at constant combustion temperature if the O-atom concentration is reduced in the high temperature post-flame zone. The computations show equilibrium between O and O2, and the reduced rates of formation of NO (at constant temperature) are thus simply the result of reduction in the product [O2]0.5[N2] in the post-flame zone.


2007 ◽  
Vol 583 ◽  
pp. 1-26 ◽  
Author(s):  
G. JOMAAS ◽  
C. K. LAW ◽  
J. K. BECHTOLD

The instant of transition to cellularity of centrally ignited, outwardly propagating spherical flames in a reactive environment of fuelx–oxidizer mixture, at atmospheric and elevated pressures, was experimentally determined using high-speed schlieren imaging and subsequently interpreted on the basis of hydrodynamic and diffusional–thermal instabilities. Experimental results show that the transition Péclet number, Pec = RcℓL, assumes an almost constant value for the near-equidiffusive acetylene flames with wide ranges in the mixture stoichiometry, oxygen concentration and pressure, where Rc is the flame radius at transition and ℓL the laminar flame thickness. However, for the non-equidiffusive hydrogen and propane flames, Pec respectively increases and decreases somewhat linearly with the mixture equivalence ratio. Evaluation of Pec using previous theory shows complete qualitative agreement and satisfactory quantitative agreement, demonstrating the insensitivity of Pec to all system parameters for equidiffusive mixtures, and the dominance of the Markstein number, Ze(Le – 1), in destabilization for non-equidiffusive mixtures, where Ze is the Zel'dovich number and Le the Lewis number. The importance of using locally evaluated values of ℓL, Ze and Le, extracted from either computationally simulated one-dimensional flame structure with detailed chemistry and transport, or experimentally determined response of stretched flames, in the evaluation of Pec is emphasized.


Author(s):  
B. de Jager ◽  
J. B. W. Kok

In this paper combustion of propane under gas turbine conditions is investigated with a focus on the chemistry and chemical kinetics in turbulent flames. The work is aimed at efficient and accurate modeling of the chemistry of heavy hydrocarbons, ie. hydrocarbons with more than one carbon atom, as occurring in liquid fuels for gas turbine application. On the basis of one dimensional laminar flame simulations with detailed chemistry, weight factors are determined for optimal projection of species concentrations on one or several composed concentrations, using the Computational Singular Perturbation (CSP) method. This way the species concentration space of the detailed mechanism is projected on a one dimensional space spanned by the reaction progress variable for use in a turbulent simulation. In the projection process a thermochemical database is used to relate with the detailed chemistry of the laminar flame simulations. Transport equations are formulated in a RaNS code for the mean and variance of the reaction progress variable. The turbulent chemical reaction source term is calculated by presumed shape probability density function averaging of the laminar source term in the thermochemical database. The combined model is demonstrated and validated in a simulation of a turbulent premixed prevaporized swirling propane/air flame at atmospheric pressure. Experimental data are available for the temperature field, the velocity field and the unburnt hydrocarbon concentrations. The trends produced by CFI compare reasonable to the experiments.


Author(s):  
Oliver Schulz ◽  
Nicolas Noiray

This numerical study deals with a premixed ethylene-air jet at 300 K injected into a hot vitiated crossflow at 1500 K and atmospheric pressure. The reactive jet in crossflow (RJICF) was simulated with compressible 3-D large eddy simulations (LES) with an analytically reduced chemistry (ARC) mechanism and the dynamic thickened flame (DTF) model. ARC enables simulations of mixed combustion modes, such as autoignition and flame propagation, that are both present in this RJICF. 0-D and 1-D simulations provide a comparison with excellent agreement between ARC and detailed chemistry in terms of autoignition time and laminar flame speed. The effect of the DTF model on autoignition was investigated for varying species compositions and mesh sizes. Comparisons between LES and experiments are in good agreement for average velocity distributions and jet trajectories; LES remarkably capture experimentally observed flame dynamics. An analysis of the simulated RJICF shows that the leeward propagating flame has a stable flame root close to the jet exit. The lifted windward flame, on the contrary, is anchored in an intermittent fashion due to autoignition flame stabilization. The windward flame base convects downstream and is “brought back” by autoignition alternately. These autoignition events occur close to a thin layer that is associated with radical build-up and that stretches down to the jet exit.


Author(s):  
Oliver Schulz ◽  
Nicolas Noiray

This numerical study deals with a premixed ethylene–air jet at 300 K injected into a hot vitiated crossflow at 1500 K and atmospheric pressure. The reactive jet in crossflow (RJICF) was simulated with compressible 3D large eddy simulations (LES) with an analytically reduced chemistry (ARC) mechanism and the dynamic thickened flame (DTF) model. ARC enables simulations of mixed combustion modes, such as autoignition and flame propagation, that are both present in this RJICF. 0D and 1D simulations provide a comparison with excellent agreement between ARC and detailed chemistry in terms of autoignition time and laminar flame speed. The effect of the DTF model on autoignition was investigated for varying species compositions and mesh sizes. Comparisons between LES and experiments are in good agreement for average velocity distributions and jet trajectories; LES remarkably capture experimentally observed flame dynamics. An analysis of the simulated RJICF shows that the leeward propagating flame has a stable flame root close to the jet exit. The lifted windward flame, on the contrary, is anchored in an intermittent fashion due to autoignition flame stabilization. The windward flame base convects downstream and is “brought back” by autoignition alternately. These autoignition events occur close to a thin layer that is associated with radical build-up and that stretches down to the jet exit.


Author(s):  
Anshul Mittal ◽  
Sameera D. Wijeyakulasuriya ◽  
Dan Probst ◽  
Siddhartha Banerjee ◽  
Charles E. A. Finney ◽  
...  

This work presents a modeling approach for multidimensional combustion simulations of a highly dilute opposed-piston spark-ignited gasoline engine. Detailed chemical kinetics is used to model combustion with no sub-grid correction for reaction rates based on the turbulent fluctuations of temperature and species mass fractions. Turbulence is modeled using RNG k-ε model and the RANS-length scales resolution is done efficiently by the use of automatic mesh refinement when and where the flow parameter curvature (2nd derivative) is large. The laminar flame is thickened by the RANS viscosity and a constant turbulent Schmidt (Sc) number and a refined mesh (sufficient to resolve the thickened turbulent flame) is used to get accurate predictions of turbulent flame speeds. An accurate chemical kinetics mechanism is required to model flame kinetics and fuel burn rates under the conditions of interest. For practical computational fluid dynamics applications, use of large detailed chemistry mechanisms with 1000s of species is both costly as well as memory intensive. For this reason, skeletal mechanisms with a lower number of species (typically ∼100) reduced under specific operating conditions are often used. In this work, a new primary reference fuel chemical mechanism is developed to better correlate with the laminar flame speed data, relevant for highly dilute engine conditions. Simulations are carried out in a dilute gasoline engine with opposed piston architecture, and results are presented here across various dilution conditions.


Author(s):  
Abdallah Abou-Taouk ◽  
Niklas Andersson ◽  
Lars-Erik Eriksson ◽  
Daniel Lörstad

This work focuses on 3D turbulent reacting flow modeling of a SGT-800 3rd generation dry low emission (DLE) burner at both atmospheric and engine-like conditions. At atmospheric pressure the burner is fitted in a test rig with high pre-heating of the incoming air. To reduce the computational cost, the M4 mechanism previously developed by Abou-Taouk et al. (2013) is used for operating pressure of 1 bar. A new novel optimized 4-step reaction mechanism for methane-air mixture is developed in the present work at an operating pressure of 20 bar. The mechanism is based on a large sample of detailed chemistry solutions that are processed by an iterative optimization procedure. This leads to a reduced 4-step mechanism, reproducing the targeted detailed chemistry solutions in terms of laminar flame speeds, species profiles and temperatures. The CFD simulations are performed using the combined eddy dissipation model / finite rate chemistry (EDM/FRC) turbulence chemistry interaction model. The turbulence is modeled using both the k-ω SST and the scale adaptive simulation (SAS) turbulence models. A comprehensive testing and measurement campaign carried out at atmospheric pressure for this burner was previously performed in a combustion test rig. The CFD results are compared to measurement data which includes for example flame position and pressure drop.


2020 ◽  
Vol 65 (6) ◽  
pp. 529-537
Author(s):  
Domnina RAZUS ◽  
◽  
Maria MITU ◽  
Venera GIURCAN ◽  
Codina MOVILEANU ◽  
...  

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