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P REDICTION OF EXTINCTION AND REIGNITION IN TURBULENT FLAMES WITH THE TRANSPORTED PDF METHOD AND RCCE CHEMICAL KINETIC

REDUCTION
Salem Elbahloul and Stelios Rigopoulos
Imperial College of London

Introduction Successful computations of turbulent combustion requires detailed representation of physical and chemical processes. Therefore, incorporation of detailed chemistry and an adequate model for the turbulencechemistry interaction (TCI) are essential prerequisites of the simulations of turbulent flames. This is particularly important when phenomena like pollutant emissions, thermal radiation and flame ignition and extinction are of interest. Detailed chemical mechanisms for several hydrocarbon fuels are now known with good accuracy. However, inclusion of these comprehensive mechanisms in turbulent combustion simulations makes the computation prohibitively expensive even for simple hydrocarbon fuels because of the size and stiffness of chemical mechanisms. Chemistry reduction models are usually developed to reduce the computational cost of chemistry. Tabulation methods including the Artificial Neural Network (ANN) technique have the ability to provide huge savings in chemistry computations. However, they require that chemical composition to be represented by a reduced number of species and thus they are best employed with reduced chemical mechanisms. The Rate-Constrained Controlled Equilibrium (RCCE) is a systematic method of chemistry reduction based on the concept of time-scale separation. This equilibration is constrained by a set of kinetic constraints which includes the important and kinetically controlled species. Mathematically, RCCE is based on the formulation of a generalised system of equations which is derived only once and then arbitrary number of reduced
Corresponding author: s.elbahloul10@imperial.ac.uk

mechanisms can be constructed from the detailed mechanism by the nomination of list of kinetic constraints. Jones and Rigopoulos [1] extended the methodology of Gordon and McBride [2] for full equilibrium by imposing the kinetic constraints as additional mass constraints to derive the RCCE system of equations. In this study, the joint scalar transported Probability Density Function (PDF) method is exploited for the modelling of the Sandia piloted turbulent flames D, E and F. The PDF method is one of the most powerful tools which have the potential to provide a realistic representation of turbulence-chemistry interaction (TCI). It is applicable for all modes and regimes of turbulent combustion and other reactive flows without any limitations in the dimensionality of turbulent scalar field. It has also the potential to provide strong representations of other multi-scale processes such as thermal radiation and soot. The joint scalar PDF equation is solved here in the Lagrangian particle framework. Mixing is modelled with the Interaction with the mean (IEM). This study focuses on investigating and assessing the strengths of the PDF-RCCE methodology in the context of RANS simulations of these test cases which exhibit different degrees of extinction and reignition. To do so, the three flames have been simulated with full GRI-3.0 mechanism and with RCCE reduced mechanisms. The results with the full GRI-3.0 demonstrate the capability of the RANS-PDF algorithm in reproducing these flames accurately while they reveal some shortcomings in the submodels of the PDF algorithm. At the same time, the results with the full GRI-3.0 mechanism are used as

However.0 mechanism and the bottom is computation with RCCE using 19 constraints. Several minor species were also predicted with good accuracy. P. “Computer program for calculation of complex chemical equilibrium compositions and applications i. “Ratecontrolled constrained equilibrium: Formulation and application to nonpremixed laminar flames. the results of flame F were less satisfactory than flames D and E. vol. Gordon and B. 223 – 234. Figure 1: Scatter plots of temperature for flame F at x = 15D. The chemical kinetics of several minor species are shown to be important for extinction and ignition in these turbulent flames and thus have to be included in the set of constraints. [2] S. reduced mechanism showed good capability of predicting the same amount of extinction and reignition as the detailed mechanism. Scatter plots of the three flames (D. 142. 1311.a reference against which the capacity of the combined RANS-PDF-RCCE methodology is evaluated. Jones and S. analysis. 2005. The RCCE . no. Acknowledgements This study is part of S. Rigopoulos. they are at a similar level of accuracy of recent large eddy simulations of this flame. Although. References [1] W. 1994. One of the merits of the study is that profiles of mean CO mass fraction show a relatively small discrepancy even in flames E and F. The top graph is measurement.” NASA Ref. Conclusions RCCE chemistry reduction is capable of preserving the accuracy of the detailed mechanism if a successful selection of the constraints is achieved. McBride. Pub.” Combustion and Flame. 3. The study indicated that limitations of the simplified mixing model and other elements of the PDF were more prominent than the influence of chemistry reduction. pp. This is shown here in figure (1) for flame F only at axial distance of 15 jet diameters. E and F) show that the degree of local extinction in these piloted flames is qualitatively reproduced with the employed PDF model. Elbahloul’s PhD work which was sponsored by the University of Benghazi-Libya. the middle is computation with full GRI-3. the flames are generally reproduced with good accuracy in both the full mechanism and the RCCE simulations.