A detailed chemical kinetic model of high-temperature ethylene glycol gasification

Combustion Theory and Modelling

Volumn 15, Issue 4, 2011, Pages 517-535

  Hafnera, Simon ^a   Rashidia, Arash ^a   Baldeaa, Georgiana ^a   Riedela, Uwe ^a,b  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b GERMAN AEROSPACE CENTER DLR   (Germany)

Author keywords

Biomass; CFD; Detailed chemistry; Ethylene glycol; Gasification

Indexed keywords

CFD SOFTWARES; CONCENTRATION PROFILES; DETAILED CHEMICAL KINETIC; DETAILED CHEMISTRY; ELEMENTARY REACTION; ENTRAINED FLOW GASIFIERS; EXPERIMENTAL DATA; EXPERIMENTAL INVESTIGATIONS; HIGH TEMPERATURE; IGNITION DELAY TIME; LAMINAR FLAME SPEED; MODEL SUBSTANCE; PARAMETRIC ANALYSIS; PYROLYSIS OIL; REACTION MECHANISM; REACTIVE FLOW; SIMULATION RESULT;

CHEMICAL ANALYSIS; COMPUTATIONAL FLUID DYNAMICS; CRACKING (CHEMICAL); ETHYLENE; ETHYLENE GLYCOL; KINETIC THEORY;

GASIFICATION;

EID: 79960566726     PISSN: 13647830     EISSN: 17413559     Source Type: Journal    
DOI: 10.1080/13647830.2010.547602     Document Type: Article

References (41)

1. E. Henrich, N. Dahmen, K. Raffelt, R. Stahl, and F. Weirich, The Karlsruhe 'bioliq' process forbiomass gasification, in Second European Summer School on Renewable Motor Fuels, Warsaw, Poland, 29-31 August, 2007.
2. T. Kolb, T. Jakobs, and N. Zarzalis, Syngas from biomass-based slurry entrained flow gasification, Tenth Conference on Energy for a Clean Environment (Clean Air), Lisbon, Portugal, 7-10 July, 2009.
3. 4 hydrocarbon oxidation mechanism, Ph.D. diss, Heidelberg University, 2006.
4. M.G. Evans and M. Polanyi, Inertia and driving force of chemical reactions, Trans. Faraday Soc. 34 (1938), pp. 11-24.
5. R.G. Gilbert, K. Luther, and J. Troe, Theory of unimolecular reactions in the fall-off range, Ber. Bunsenges. Phys. Chem. 87 (1983), pp. 169-177.
6. N.M. Marinov, A detailed chemical kinetic model for high temperature ethanol oxidation, Int. J. Chem. Kinet. 31(3) (1999), pp. 183-220.
7. R.J. Kee, F.M. Rupley, and J.A. Miller, Chemkin thermodynamic data base, Report No. SAND89-8009B, Sandia National Laboratories, 1994.
8. E. Goos, A. Burcat, and B. Ruscic, Ideal gas thermochemical database with updates from active thermochemical tables, Available at http://garfield.chem.elte.hu/Burcat/burcat.html; 15 June 2010.
9. R.G. Susnow, A.M. Dean, W.H. Green, P. Peczak, and L.J. Broadbelt, Rate-based construction of kinetic models for complex systems, J. Phys. Chem. A 101 (1997), pp. 3731-3740.
10. M.J. De Witt, D.J. Dooling, and L.J. Broadbelt, Computer generation of reaction mechanisms using quantitative rate information: Application to long-chain hydrocarbon pyrolysis, Ind. Eng. Chem. Res. 39 (2000), pp. 2228-2237.
11. U. Maas, Mathematische Modellierung instation̈arer Verbrennungsprozesse unter Verwendung detaillierter Reaktionsmechanismen, Ph.D. diss., Heidelberg University, 1988.
12. L.R. Petzold, A description of DASSL: A differential/algebraic sytem solver, Report No. SAND82-8637, Sandia National Laboratories, 1982.
13. P. Deuflhard, E. Hairer, and J. Zugck, One step and extrapolation methods for differentialalgebraic systems, Numer. Math. 51 (1987), pp. 501-516.
14. J. Warnatz, Calculation of the structure of laminar flat flames I: Flame velocity of freely propagating ozone decomposition flames, Ber. Bunsenges. Phys. Chem. 82 (1978), pp. 193-200.
15. J. Warnatz, U. Maas, and R.W. Dibble, Combustion, Springer-Verlag, Heidelberg, 2006.
16. T.H. Shih, W.W. Liou, A. Shabbir, Z. Yang, and J. Zhu, A new k-ε eddy viscosity model for high reynolds number turbulent flows, Comput. Fluids 24(3) (1995), pp. 227-238.
17. B.F. Magnussen, On the structure of turbulence and a generalized eddy dissipation concept for chemical reaction in turbulent flow, in Nineteenth AIAA Meeting, 1981.
18. ANSYS FLUENT 12.0, Theory Guide, 2009.
19. S.B. Pope, Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation, Combust. Theor. Model. 1 (1997), pp. 41-63.
20. W.A. Fiveland, Discrete ordinate methods for radiative heat transfer in isotropically and anisotropically scattering media, J. Heat Transfer 109 (1987), pp. 807-812.
21. P. Dagaut, M. Reuillon, D. Voisin, M. Cathonnet, M. McGuinness, and J.M. Simmie, Acetaldehyde oxidation in a JSR and ignition in shock waves: Experimental and comprehensive kinetic modeling, Combust. Sci. Technol. 107 (1995), pp. 301-316.
22. G.J. Gibbs and H.F. Calcote, Effect of molecular structure on burning velocity, J. Chem. Eng. Data 4(3) (1959), pp. 226-237.
23. C. Chevalier, Entwicklung eines detaillierten Reaktionsmechanismus zur Modellierung der Verbrennungsprozesse von Kohlenwasserstoffen bei Hoch- und Niedertemperaturbedingungen, Ph.D. diss, Stuttgart University, 1993.
24. V. Karbach, Aktualisierung und Validierung eines detaillierten Reaktionsmechanismus zur Oxidation von Kohlenwasserstoffen bei hohen Temperaturen, Diploma Thesis, Heidelberg University, 1997.
25. M. Nehse, Automatische Erstellung von detaillierten Reaktionsmechanismen zur Modellierung der Selbstz̈undung und laminarer Vormischflammen von gasf̈ormigen Kohlenwasserstoff-Mischungen, Ph.D. diss, Heidelberg University, 2001.
26. K. Natarajan and K.A. Bhaskaran, An experimental and analytical investigation of high temperature ignition of ethanol, in Thirteenth International Shock Tube Symposium, Niagara Falls, 1981, pp. 834-842.
27. M.P. Dunphy, P.M. Patterson, and J.M. Simmie, High-temperature oxidation of ethanol. Part 2. Kinetic modeling, J. Chem. Soc. Faraday Trans. 87 (1991), pp. 2549-2559.
28. O.L. Gülder, Laminar burning velocities of methanol, ethanol and isooctane-air mixtures, in Nineteenth Symposium (International) on Combustion, The Combustion Institute, 1982, pp. 275-281.
29. F.N. Egolfopoulos, D.X. Du, and C.K. Law, A study on ethanol oxidation kinetics in laminar premixed flames, flow reactors, and shock tubes, in Twenty-Fourth Symposium (International) on Combustion, The Combustion Institute, 1992, pp. 833-841.
30. P.S. Veloo, Y.L. Wang, F.N. Egolfopoulos, and C.K. Westbrook, A comparative experimentaland computational study of methanol, ethanol and n-butanol flames, Cumbust. Flame 157 (2010), pp. 1989-2004.
31. B. Aboussi, Étude expérimentale et modélisation de l'oxydation de l'éthanol, Ph.D. diss, University of Orleans, 1991.
32. P. Dagaut, J.C. Boettner, and M. Cathonnet, Kinetic modeling of ethanol pyrolysis and combustion, Journal Chemie Physie et Physico-chemie Biologique 89 (1992), pp. 867-884.
33. D.F. Cooke, M.G. Dodson, and A. Williams, A shock-tube study of the ignition of methanol and ethanol with oxygen, Combust. Flame 16 (1971), pp. 233-236.
34. A. Suzuki, T. Inomata, H. Jinno, and T. Moriwaki, Effect of Bromotrifluoromethane on the ignition in methane and ethane-oxygen-argon mixtures behind shock waves, Bull. Chem. Soc. Jpn. 64 (1991), pp. 3345-3354.
35. T. Tsuboi and H.G Wagner, Homogeneous thermal oxidation of methane in reflected shock waves, Proc. Combust. Inst. 15 (1975), pp. 883-890.
36. A. van Maaren and L.P.H. de Goey, Strech and the adiabatic burning velocity of methane- and propane-air flames, Combust. Sci. Technol., 102 (1994), pp. 309-314.
37. F.N. Egolfopoulos, D.L. Zhu, and C.K. Law, Experimental and numerical determination of laminar flame speeds: Mixtures of C2-hydrocarbons with oxygen and nitrogen, in Twenty-Third Symposium (International) on Combustion, The Combustion Institute, 1990, pp. 471-478.
38. C.M. Vagelopoulos and F.N. Egolfopoulos, Laminar flame speeds and extinction strain rates of mixtures of carbon monoxide with hydrogen, methane and air, in Twenty-Fifth Symposium (International) on Combustion, The Combustion Institute, 1994, pp. 1317-1323.
39. E.J. D'Onofrio, Cool flame and autoignition in glycols, Loss Prevent. 13 (1979), pp. 89-97.
40. F.N. Egolfopoulos, P. Cho, and C.K. Law, Laminar flame speeds of methane/air mixtures under reduced and elevated pressures, Combust. Flame 76 (1989), pp. 375-391.
41. A. Rashidi, M. Eberhard, and U. Riedel, CFD simulation of gasification process with ethylene glycol as model substance for biomass based pyrolysis oil, Int. J. Energy for a Clean Environment, 2010, submitted.