Determination of Hydrogen Production from Rich Filtration Combustion with Detailed Kinetics Based CFD Method

Abstract

Abstract: Computational fluid dynamics(CFD)combined with detailed chemical kinetics was employed to model the filtration combustion of a mixture of methane/air in a packed bed of uniform 3 mm diameter alumina spherical particles.The standard k-ε turbulence model and a methane oxidation mechanism with 23 species and 39 elemental reactions were used.Various equivalence ratios(1.47,1.88,2.12 and 2.35)were studied.The numerical results showed good agreement with the experimental data.For ultra-rich mixtures,the combustion temperature exceeds the adiabatic value by hundreds of centigrade degrees.Syngas(hydrogen and carbon monoxide)can be obtained up to a mole fraction of 23%.The numerical results also showed that the combination of CFD with detailed chemical kinetics gives good performance for modeling the pseudo-homogeneous flames of methane in porous media.

Key words: computational fluid dynamics, coupled chemistry-hydrodynamics, porous media, super-adiabatic combustion

摘要： Computational fluid dynamics(CFD)combined with detailed chemical kinetics was employed to model the filtration combustion of a mixture of methane/air in a packed bed of uniform 3 mm diameter alumina spherical particles.The standard k-ε turbulence model and a methane oxidation mechanism with 23 species and 39 elemental reactions were used.Various equivalence ratios(1.47,1.88,2.12 and 2.35)were studied.The numerical results showed good agreement with the experimental data.For ultra-rich mixtures,the combustion temperature exceeds the adiabatic value by hundreds of centigrade degrees.Syngas(hydrogen and carbon monoxide)can be obtained up to a mole fraction of 23%.The numerical results also showed that the combination of CFD with detailed chemical kinetics gives good performance for modeling the pseudo-homogeneous flames of methane in porous media.

关键词: computational fluid dynamics, coupled chemistry-hydrodynamics, porous media, super-adiabatic combustion

LI Guoneng, ZHOU Hao, QIAN Xinping, CEN Kefa. Determination of Hydrogen Production from Rich Filtration Combustion with Detailed Kinetics Based CFD Method[J]. , 2008, 16(2): 292-298.

李国能, 周昊, 钱欣平, 岑可法. Determination of Hydrogen Production from Rich Filtration Combustion with Detailed Kinetics Based CFD Method[J]. , 2008, 16(2): 292-298.

References

1 Ashcroft, A.L., Cheetham, A.K., Ford, J.S., Green, M.L.H., Grey, C.P.G., Murrell, A.J., Vernon, P.D.F., “Selective oxidation of methane to synthesis gas using transition metal catalysts”, Nature, 344 (6264), 319-321 (1990).
2 Sherif, S.A., Barbir, F., Veziroglu, T.N., “Wind energy and the hydrogen economy-Review of the technology”, Solar Energy, 78 (5), 647-660 (2005).
3 Ersoz, A., Olgun, H., Ozdogan, S., Gungor, C., Akgun, F., Tiris, M., “Autothermal reforming as a hydrocarbon fuel processing option for PEM fuel cell”, J. Power Sources, 118 (1/2), 384-392 (2003).
4 Bingue, J.P., Saveliev, A.V., Kennedy, L.A., “Optimization of hydrogen production by filtration combustion of methane by oxygen enrichment and depletion”, Int. J. Hydrogen Energy, 29 (13), 1365-1370 (2004).
5 Bingue, J.P., Saveliev, A.V., Fridman, A.A., Kennedy, L.A., “Hydrogen production in ultra-rich filtration combustion of methane and hydrogen sulfide”, Int. J. Hydrogen Energy, 27 (6), 643-649 (2002).
6 Mjaanes, H.P., Chan, L., Mastorakos, E., “Hydrogen production in porous media”, Int. J. Hydrogen Energy, 30 (6), 579-592 (2005).
7 Veynante, D., Vervisch, L., “Turbulent combustion modeling”, Prog. Energy Combust. Sci., 28 (3), 193-266 (2002).
8 Hsu, P.F., Matthews, R.D., “The necessity of using detailed kinetics in models for premixed combustion within porous media”, Combust. Flame, 93 (4), 457-466 (1993).
9 Hackert, C.L., Ellzey, J.L., Ezekoye, O.A., “Combustion and heat transfer in model two-dimensional porous burner”, Combust. Flame, 116 (1/2), 177-191 (1999).
10 Eisfeld, B., Schnitzlein, K., “A new pseudo-continuous model for the fluid flow in packed beds”, Chem. Eng. Sci., 60 (15), 4105-4117 (2005).
11 Mao, K., Wang, M.Y., Xu, Z., Chen, T., “DEM simulation of particle damping”, Powder Technol., 142 (2/3), 154-165 (2004).
12 Yoshiawa, Y., Sasaki, K., Echigo, R., “Analytical study of the structure of ration controlled flame”, Int. J Heat Mass Transf., 31 (2), 311-319 (1988).
13 Hsu, P.F., Howell, J.R., Matthews, R.D., “A numerical investigation of premixed combustion within porous inert media”, J. Heat Transf., 115 (3), 744-750 (1993).
14 Mohamad, A.A., Ramadhyani, S., Viskanta, R., “Modeling of combustion and heat transfer in a packed bed with embedded coolant tubes”, Int. J Heat Mass Transf., 37 (8), 1181-1191 (1994).
15 Brenner, G., Pickenacker, K., Pickenacker, O., Trimis, D., Wawrzinek, K., Weber, T., “Numerical and experimental investigation of matrix-stabilized methane/air combustion in porous inert media”, Combust. Flame, 123 (1), 201-213 (2000).
16 Lü, Z.H., Sun, S.C., “Prediction of the premixed flame burning rates within porous media”., J. Combust. Sci. Technol., 4 (3), 242-246 (1998). (in Chinese)
17 Xie, M.Z., Du, L.M., Sun, W.C., “Advances and prospects of superadiabatic combustion in porous media with reciprocating flow”, J. Combust. Sci. Technol., 8 (6), 520-524 (2002). (in Chinese)
18 Du, L.M., Xie, M.Z., “Numerical simulation on reciprocating superadiabatic combustion of premixed gases in porous media”, J. Combust. Sci. Technol., 11 (3), 230-235 (2005). (in Chinese)
19 Zhao, P.H., Chen, Y.L., Liu, M.H., “Investigation of combustion in a porous medium for different reaction mechanisms and dispersion effects”, J. Univ. Sci. Technol. (China), 36 (10), 1051-1056 (2006). (in Chinese)
20 Li, G.N., Zhou, H., Qian, X.P., Ling, Z.Q., Cen, K.F., “Modeling hydrogen production in super-adiabatic combustion of hydrogen sulfide in porous media”, J. Chem. Ind. Eng. (China), 57 (9), 2175-2179 (2006). (in Chinese)
21 Ling, Z.Q., Zhou, H., Qian, X.P., Li, G.N., Cen, K.F., “Numerical simulation of hydrogen production in porous media from hydrogen sulfide by partial oxidation”, Acta Sci. Circumstantiae, 26 (1), 22-26 (2006). (in Chinese)
22 Shackelford, J., Alexande, W., Pork, J.S., CRC Materials Science and Engineering Handbook, CRC Press Inc., New York (2002).
23 Ergun, S., “Fluid flow through packed columns”, Proc. Inst. Mech. Eng., 48 (2), 89-94 (1952).
24 Kuwahara, F., Yamane, T., Nakayama, A., “Large eddy simulation of turbulent flow in porous media”, Int. Commun. Heat Mass Transf., 33 (4), 411-418 (2006).
25 Smith, G.P., Golden, D.M., Frenklach, M., Moriarty, N.W., Eiteneer, B., Goldenberg, M., Bowman, C.T., Hanson, R.K., Song, S., Gardiner, W.C., Vitali, J., Lissianski, V., Qin, Z., “GRI-Mech 3.0”, http://www.me.berkeley.edu/gri_mech/ (2000).
26 Chen, J.Y., “Development of reduced mechanisms for numerical modeling of turbulent combustion”, In: Workshop on Numerical Aspects of Reduction in Chemical Kinetics, France (1997).
27 Sung, C.J., Law, C.K., Chen, J.Y., “Augmented reduced mechanisms for NO emission in methane oxidation”, Combust. Flame, 125 (1/2), 906-919 (2001).
28 Glarborg, P., Miller, J.A., Kee, B.J., “Kinetic modeling and sensitivity analysis of nitrogen oxide formation in well-stirred reactors”, Combust. Flame, 65 (2), 177-202 (1986).
29 Bilger, R.W., Stamer, S.H., Kee, R.J., “On reduced mechanisms for methane-air combustion in non-premixed flames”, Combust. Flame, 80 (2), 135-149 (1990).
30 Xu, M., Fan, Y., Yuan, J., “Simplification of the mechanism of NO_X formation in a CH₄/air combustion system”, Int. J. Energy Res., 23 (14), 1267-1276 (1999).
31 Kazakov, A., Frenklach, M., “DRM9 and DRM22”, http://www.me.berkeley.edu/drm/ (1994).

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