A numerical investigation of effects of chemical kinetic mechanisms on the structure of turbulent jet diffusion H2/air flame with Lagrangian PDF method

Senouci Mohammed; Abdelhamid  BOUNIF; Habib MEROUANE; Mohamed BOUKHELEF

doi:10.15282/jmes.17.2.2023.9.0753

Authors

M. Senouci Laboratoire des Systèmes Complexes, Higher School of Electrical and Energetic Engineering of Oran, Chemin Vicinal N9 Oran 31000, Algeria. Phone : +213041240937 ; Fax : +213041627113
A. Bounif Faculty of Science and Technology, University Belhadj Bouchaib of Ain Temouchent, Bp 284 Sidi bel Abbes 46000 Ain Temouchent, Algeria
H. Merouane Faculty of Science and Technology, University Mustapha Stambouli of Mascara, Bp 305 Route de Mamounia Mascara, Algeria
M. Boukhelef Faculty of Science and Technology, University Mustapha Stambouli of Mascara, Bp 305 Route de Mamounia Mascara, Algeria

DOI:

https://doi.org/10.15282/jmes.17.2.2023.9.0753

Keywords:

PDF method, Turbulent diffusion flame, Chemical kinetics, Reacting flows, RMS model

Abstract

Many physical phenomena characteristic of reactive flows are controlled by the detail of the chemical kinetics of combustion. These include, for example, the ignition and extinction of a flame and the formation of polluting species. These phenomena require the use of detailed kinetic schemes including hundreds of species and thousands of reactions.The main objective of this work is to highlight the influence of chemical kinetics on the structure of turbulent jet diffusion H₂/air flame. Five improved hydrogen kinetic mechanisms have been tested in order to validate, compare and evaluate their effect on the scalar and dynamic fields of such flames. The effect of number particles used in Lagrangian PDF method on the temperature evoltution is also studied. A hybrid method, PDF Lagrangian coupled to the RSM turbulence model, is used in this work, for the numerical simulation. The micro-mixing term of the TPDF is modeled by the EMST model. This model, which describes well the physical process of mixing, has shown its capabilities to give good numerical results. The impact of these mechanisms on the numerical results of scalar and dynamic fields was discussed and compared with the experimental data. The scalar field is well influenced by the choice of the chemical kinetic mechanism. This is not the case of the dynamic field. A good agreement with experience is observed for detailed kinetic mechanisms. However, it has been noticed that simple and reduced mechanisms give also satisfactory results, particularly the reduced kinetic mechanism R12 wich includes 12 reaction and can be considered as a compromise among the five kinetic mechanisms. These mechanisms allows for a significant reduction in CPU time and storage memory. It was also observed that, for the two chemical kinetic mechanisms R12 and R27, the number of particles only affects the radial evolution.

References

S. B. Pope, "PDF methods for turbulent reactive flows," Progress in Energy and Combustion Science, vol. 11, no. 2, pp. 119-192, 1985.

S. B. Pope, Turbulent Flows. Cambridge: Cambridge University Press, 2000.

M. Senouci, A. Bounif, M. Abidat, N. M. Belkaid, C. Mansour, and I. Gokalp, "Transported-PDF (IEM, EMST) micromixing models in a hydrogen-air nonpremixed turbulent flame," Acta Mechanica, vol. 224, pp. 3111-3124, 2013.

S. Subramaniam and S. B. Pope, "A mixing model for turbulent reactive flows based on Euclidean minimum spanning trees," Combustion and Flame, vol. 115, no. 4, pp. 487-514,1998.

S. B. Pope, "Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation," Combustion Theory and Modelling, vol. 1, no. 1, pp. 41-63,1997.

R. R. Cao and S. B. Pope, "The influence of chemical mechanisms on PDF calculations of nonpremixed piloted jet flames," Combustion and Flame, vol. 143, pp. 450-470, 2005.

J. Li, Z. Zhao, A.Kazakov and F.L.Dryer, "An updated comprehensive kinetic model of hydrogen combustion," International Journal of Chemical Kinetics, vol. 36, no. 10, pp. 566 -575, 2004.

V. P. Zhukov, "Verification, validation, and testing of kinetic mechanisms of hydrogen combustion in fluid-dynamic computations," ISRN Mechanical Engineering, vol. 2012, p. 475607, 2012.

D. Fernández-Galisteo, A. L. Sánchez, A. Liñán, and F. A. Williams, "One-step reduced kinetics for lean hydrogen–air deflagration," Combustion and Flame, vol. 156, pp. 985-996, 2009.

P. Boivin, "Reduced-kinetic mechanisms for hydrogen and syngas combustion including autoignition," Doctoral Tesis, Universidad Carlos III de Madrid, 2011.

X. Zhou, Z. Sun, G. Brenner, and F. Durst, "Combustion modeling of turbulent jet diffusion H2/air flame with detailed chemistry," International Journal of Heat and Mass Transfer, vol. 43, pp. 2075-2088, 2000.

S. Wu,R. Qiu, Y. Jiang,"One-dimensional turbulence simulation of hydrogen-air diffusion flame considering the effects of the differential diffusion," Journal of Combustion Science and Technology, vol. 2007, pp. 532-538, 2007.

N. Peters and B. Rogg,"Reduced kinetic mechanisms forapplications in combustion systems," Springer-Verlag,Germany, 1993.

A. A. Larbi, A. Bounif, M. Senouci, I. Gökalp and M. Bouzit, "RANS modelling of a lifted hydrogen flame using eulerian/ lagrangian approaches with transported PDF method,"Energy, vol. 164, pp. 1242-1256, 2018.

B. Naud, C. JimeneZ and D. Roekaerts, "A consistent hybrid PDF method: implementation details and application to the simulation of a bluff-body stabilised flame," Progress inComputationalFluid Dynamics,An International Journal,vol. 6, no. 1-3, pp. 146-157, 2006.

R. Luppes, "The numerical simulation of turbulent jets and diffusion flames," Phd Thesis, Technische Universiteit Eindhoven, 2000.

R. S. Barlow. "Sandia H2/He flame: Scalar data." International Workshop on Measurement and Computational of Turbulent Flames, pp. 1-8, 2003.

W. Meier, A. O. Vyrodov, V. Bergmann, and W. Stricker, "Simultaneous Raman/LIF measurements of major species and NO in turbulent H2/air diffusion flames," Applied Physics B,vol. 63, pp. 79-90, 1996.

J. P. H. Sanders and I. Gokalp, "Nonequilibrium and differential diffusion effects in turbulent hydrogen diffusion flames," Journal ofThermophysics andHeat Transfer, vol. 11, pp. 384-390, 1997.

A. Obieglo, J. Gass, and D. Poulikakos, "Comparative study of modeling a hydrogen nonpremixed turbulent flame," Combustion and Flame, vol. 122, no. 1, pp. 176-194, 2000.

M. Senouci and A. Bounif, "Simulation numérique d’un jet turbulent axisymétrique à masse volumique variable par le modele au second ordre (RSM)," Mechanics & Industry, vol. 12, pp. 315-324, 2011.