scholarly journals Implementation of the Semi Empirical Kinetic Soot Model Within Chemistry Tabulation Framework for Efficient Emissions Predictions in Diesel Engines

Open Physics ◽  
2019 ◽  
Vol 17 (1) ◽  
pp. 905-915
Author(s):  
Mijo Tvrdojevic ◽  
Milan Vujanovic ◽  
Peter Priesching ◽  
Ferry A. Tap ◽  
Anton Starikov ◽  
...  

Abstract Soot prediction for diesel engines is a very important aspect of internal combustion engine emissions research, especially nowadays with very strict emission norms. Computational Fluid Dynamics (CFD) is often used in this research and optimisation of CFD models in terms of a trade-off between accuracy and computational efficiency is essential. This is especially true in the industrial environment where good predictivity is necessary for engine optimisation, but computational power is limited. To investigate soot emissions for Diesel engines, in this work CFD is coupled with chemistry tabulation framework and semi-empirical soot model. The Flamelet Generated Manifold (FGM) combustion model precomputes chemistry using detailed calculations of the 0D homogeneous reactor and then stores the species mass fractions in the table, based on six look-up variables: pressure, temperature, mixture fraction, mixture fraction variance, progress variable and progress variable variance. Data is then retrieved during online CFD simulation, enabling fast execution times while keeping the accuracy of the direct chemistry calculation. In this work, the theory behind the model is discussed as well as implementation in commercial CFD code. Also, soot modelling in the framework of tabulated chemistry is investigated: mathematical model and implementation of the kinetic soot model on the tabulation side is described, and 0D simulation results are used for verification. Then, the model is validated using real-life engine geometry under different operating conditions, where better agreement with experimental measurements is achieved, compared to the standard implementation of the kinetic soot model on the CFD side.

Author(s):  
Graham Goldin ◽  
Yongzhe Zhang

The Flamelet Generated Manifold (FGM) model requires a reaction progress variable which is usually defined as a weighted sum of species mass fractions. This progress variable should increase monotonically as flamelet states progress from unburnt to chemical equilibrium. A favorable attribute of the progress variable is that the flamelet species should change gradually with the progress variable, which reduces sensitivity of these species to any predicted errors in the progress variable. Previous publications have presented optimization algorithms for specific flamelet operating conditions, including fuel and oxidizer compositions and temperatures, and pressures. This work applies the HEEDS optimization software to find optimal species weights for a range of fuels and operating conditions. The fuels included are methane, methane-hydrogen, n-dodecane and n-heptane, at fuel-oxidizer temperatures of 293K and 1000K, and pressures of 1 and 30 atmospheres. For manifolds modeled by constant pressure ignition reactors, the optimal progress variable weights using four species weights are {αCO2 = 1, αCO = 0.91, αH2O = 0.52, αH2 = 1}, and for eight species weights are {αCO2 = 1, αCO = 0.91, αH2O = 0.51, αH2 = 1, αC2H2 = 0.16, αOH = −0.66, αH = −0.38, αO = 0.4}.


Author(s):  
George Mallouppas ◽  
Graham Goldin ◽  
Yongzhe Zhang ◽  
Piyush Thakre ◽  
Jim Rogerson

Abstract Three Flamelet Generated Manifold reaction source term closure options and two different reactor types are examined with Large Eddy Simulation of an industrial gas turbine combustor operating at 3 bar. This work presents the results for the SGT-100 Dry Low Emission (DLE) gas turbine provided by Siemens Industrial Turbomachinery Ltd. The related experimental study was performed at the German Aerospace Centre, DLR, Stuttgart, Germany. The FGM model approximates the thermo-chemistry in a turbulent flame as that in a simple 0D constant pressure ignition reactors and 1D strained opposed-flow premixed reactors, parametrized by mixture fraction, progress variable, enthalpy and pressure. The first objective of this work is to compare the flame shape and position predicted by these two FGM reactor types. The Kinetic Rate (KR) model, studied in this work, uses the chemical rate from the FGM with assumed shapes, which are a Beta function for mixture fraction and delta functions for reaction progress variable and enthalpy. Another model investigated is the Turbulent Flame-Speed Closure (TFC) model with Zimont turbulent flame speed, which propagates premixed flame fronts at specified turbulent flame speeds. The Thickened Flame Model (TFM), which artificially thickens the flame to sufficiently resolve the internal flame structure on the computational grid, is also explored. Therefore, a second objective of this paper is to compare KR, TFC and TFM with the available experimental data.


2020 ◽  
pp. 146808741989616 ◽  
Author(s):  
Qiyan Zhou ◽  
Tommaso Lucchini ◽  
Gianluca D’Errico ◽  
Gilles Hardy ◽  
Xingcai Lu

Fast and high-fidelity combustion models including detailed kinetics and turbulence chemistry interaction are necessary to support design and development of heavy-duty diesel engines. In this work, the authors intend to present and validate tabulated flamelet progress variable model based on tabulation of laminar diffusion flamelets for different scalar dissipation rate, whose predictability highly depends on the description of fuel–air mixing process in which engine mesh layout plays an important role. To this end, two grids were compared and assessed: in both grids, cells were aligned on the spray direction with such region being enlarged in the second one, where the near-nozzle and near-wall mesh resolution were also improved, which is expected to better account for both spray dynamics and flame–wall interaction dominating the combustion process in diesel engines. Flame structure, in-cylinder pressure, apparent heat release rate, and emissions for different relevant operating points were compared and analyzed to identify the most suitable mesh. Afterwards, simulations were carried out in a heavy-duty engine considering 20 operating points, allowing to comprehensively verify the validity of tabulated flamelet progress variable model. The results demonstrated that the proposed approach was capable to accurately predict in-cylinder pressure evolution and NO x formation across a wide engine map.


Author(s):  
Xu Zhang ◽  
Ran Yi ◽  
C. P. Chen

Abstract In this study, a model flame of quasi-1D counterflow spray flame has been developed. The two-dimensional multiphase convection-diffusion-reaction (CDR) equations have been simplified to one dimension using similarity reduction under the Eulerian framework. This model flame is able to directly account for non-adiabatic heat loss as well as multiple combustion regimes present in realistic spray combustion processes. A spray flamelet library was generated based on the model flame. To retrieve data from the spray flamelet library, the enthalpy was used as an additional controlling variable to represent the interphase heat transfer, while the mixing and chemical reaction processes were mapped to the mixture fraction and the progress variable. The spray-flamelet/progress-variable (SFPV) approach was validated against the results from the direct integration of finite-rate chemistry as a benchmark. The SFPV approach gave a better performance in terms of temperature predictions, while the conventional gas-phase flamelet/progress-variable (FPV) approach over-predicted by nearly 20%. In terms of species mass fractions, there was no significant difference between the two, both showing good agreements with the direct integration of chemistry (DIC) model.


Author(s):  
Alejandro M. Briones ◽  
Robert Olding ◽  
Joshua P. Sykes ◽  
Brent A. Rankin ◽  
Kyle McDevitt ◽  
...  

Historically, combustion modeling is important for many transportation- and ground-based applications. More recently, modeling has been offered as an early screening tool in the evaluation of a potential alternative aviation jet fuel. This combustion evaluation path would in theory be conducted by gas turbine Original Equipment Manufacturers (OEMs) on proprietary geometries and conditions. Ideally, OEMs would have access to the latest combustion theory models and would thus have the highest predictive confidence in their model predictions. Unfortunately, the latest combustion theory codes are not written for commercial purposes. This work identifies and develops a conduit for OEM usage of latest flamelet theory for use in the evaluation of alternative jet fuel combustion properties. A so-called “common format routine” (CFR) software with two low-dimensional manifold combustion models that can be used for laminar and turbulent applications is developed, which can be implemented by OEMs on proprietary hardware. The two models are the flamelet prolongation of the intrinsic low-dimensional manifold (FPI), used for premixed combustion, and the flamelet progress variable (FPV), utilized for nonpremixed combustion. The three branches of combustion are computed using a hybrid tool that combines homotopic flamelet calculations with scaling laws and the two- and one-point flamelet continuation methods in order to resolve bifurcations. The mixture fraction and progress variable definitions can be chosen to be any summation of atomic and species composition, respectively. Diffusivity coefficients can be computed using unity Lewis number, mixture-averaged and multicomponent species composition. The turbulence-chemistry interaction is tabulated a priori using Beta probability density function (PDF) for the mixture fraction and Beta or Dirac-delta PDF for the progress variable. Parallel computing is necessary for industrial quality tabulation. The tabulated table can be used for k-ε and k-ω RANS, SAS, DES, and LES simulations. The software can also interact with liquid spray and exchange mass between the liquid and gaseous phase. The software is verified against previous numerical simulations of canonical triple flames, piloted flames and single-cup combustor. The numerical results are validated against experimental measurements of temperature and species mass fractions. The CFR software advances Cantera 2.3. Hence, the software contains an inner layer of C++ code, an intermediate layer of Python wrappers, and an upper layer (GUI) of C# code. The pre-tabulated chemistry is used for CFD simulations. The tables are bi-linearly interpolated for laminar simulations and tri-linearly interpolated for turbulent simulations. The tabulated chemistry can be hooked to commercial software such as Fluent through C and Scheme codes. The simulated flames presented here were computed with this software. The developed software is reliable for modeling and simulation of complex combustion phenomena.


Author(s):  
Stefan Dederichs ◽  
Nikolaos Zarzalis ◽  
Christian Beck

For the prediction of thermoacoustic instabilities in gas turbines, a compressible, unsteady LES approach was validated for 1D, lab-scale and technical-scale test cases. The simulations were performed with a novel combustion model, which relies on a combination of tabulated chemistry and flame thickening. A 1D case was used for fundamental verification and to quantify the mesh resolution dependent error. The verification demonstrated sufficiently accurate predictions. In a second step an elevated pressure lab-scale flame was considered to calibrate the model parameter of the turbulence chemistry interaction at relevant conditions. For this case CO2 field data measured with the Raman scattering method is available. Finally, a test rig configuration of a can type combustor was investigated. The comparison between experiment and simulation was performed in terms of thermoacoustic pressure amplitudes at stable and unstable operating conditions. The LES combustion model relies on an artificial thickened flame approach to ensure that the flame propagation speed is reproduced with tolerable error. Tabulated chemistry provides the source term for CO2 (governing species) as a function of the mixture fraction and the CO2 concentration based on premixed, laminar flamelets. The model distinguishes between inherent thickening due to sub grid scale turbulence and explicit laminar thickening. This novel thickening approach is presented for the first time. The presented approach was able to predict the thermoacoustic stability behavior of a gas turbine combustion system correctly.


2012 ◽  
Vol 2012 ◽  
pp. 1-11 ◽  
Author(s):  
Rohit Kulkarni ◽  
Wolfgang Polifke

The potential of a progress variable formulation for predicting autoignition and subsequent kernel development in a nonpremixed jet flame is explored in the LES (Large Eddy Simulation) context. The chemistry is tabulated as a function of mixture fraction and a composite progress variable, which is defined as a combination of an intermediate and a product species. Transport equations are solved for mixture fraction and progress variable. The filtered mean source term for the progress variable is closed using a probability density function of presumed shape for the mixture fraction. Subgrid fluctuations of the progress variable conditioned on the mixture fraction are neglected. A diluted hydrogen jet issuing into a turbulent coflow of preheated air is chosen as a test case. The model predicts ignition lengths and subsequent kernel growth in good agreement with experiment without any adjustment of model parameters. The autoignition length predicted by the model depends noticeably on the chemical mechanism which the tabulated chemistry is based on. Compared to models using detailed chemistry, significant reduction in computational costs can be realized with the progress variable formulation.


Author(s):  
Rakesh Yadav ◽  
Shaoping Li ◽  
Ellen Meeks

In this work, a scale separation method has been proposed and implemented in the framework of Flamelet Generated Manifold (FGM) model. In this approach, first a list of slow evolving species like NO, N2O etc., are identified. Then, a separate transport equation for each of these species (called FGM scalars) is solved in addition to the mixture fraction and progress variable equations. The forward and reverse reaction rates of these slow forming species are computed in two-dimensional FGM flamelets and pre-tabulated as a function of progress variable, mixture fraction and their respective variances. At run time, the pre-tabulated probability density function (PDF) averaged production rates of these FGM scalars are used, while their tabulated reverse rates are modified with a linear scaling based on the ratio of tabulated values of the FGM scalar and the prevailing values of the FGM scalars from three dimensional CFD solution. This mechanism allows the reverse rates to provide continuous feedback and respond to the slow evolution of scalar. Other than the list of selected scalars, all other species and temperature are still computed as a function of the main progress variable and mixture fraction. Since, a small set of scalars can be used to track key species, this methodology remains computationally efficient. The current approach has been implemented into commercial CFD solver, ANSYS Fluent, and has been validated for two lab scale turbulent flames, the first one is Sandia Flame D, while the second one is a lifted turbulent methane flame in vitiated co-flow. In the current work, two additional FGM scalar transport equations are solved for CO and NO and comparisons have been made against the tabulated values as well as the experimental data. It has been seen that the scale separation methodology of these scalars leads ∼10–15% improvements in the CO mass fraction, while it reduces the peak NO formation up to 4 times leading to better agreement with experimental data compared to tabulated values. The quality of predictions from the current method is also evaluated against finite rate chemistry-based model as well as reduced order NO model. It is found that the current model has consistent results, and is an improvement over current reduced order modeling approach.


Author(s):  
John J. Adamczyk

This paper summarizes the state of 3D CFD based models of the time average flow field within axial flow multistage turbomachines. Emphasis is placed on models which are compatible with the industrial design environment and those models which offer the potential of providing credible results at both design and off-design operating conditions. The need to develop models which are free of aerodynamic input from semi-empirical design systems is stressed. The accuracy of such models is shown to be dependent upon their ability to account for the unsteady flow environment in multistage turbomachinery. The relevant flow physics associated with some of the unsteady flow processes present in axial flow multistage machinery are presented along with procedures which can be used to account for them in 3D CFD simulations. Sample results are presented for both axial flow compressors and axial flow turbines which help to illustrate the enhanced predictive capabilities afforded by including these procedures in 3D CFD simulations. Finally, suggestions are given for future work on the development of time average flow models.


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