Numerical study of the combustion of conventional and BioFuels using reduced and advanced reaction mechanisms

Abstract

Combustion process of conventional liquid fuels and BioFuels depend on many factors including thermo - physicochemical properties associated with such fuels, their chemical structure and the combustion infrastructure used. This manuscript summarises the computational results of a steady cfd simulation for reactive flows performed to validate advanced reaction mechanisms for both conventional and BioFuels. The computational results have shown good agreement with the available experimental data with the differences thoroughly discussed and explained. An important observations and findings reported in this work was that when comprehensive reaction models were used, the injected fuels burned at a slower rate compared to the situation when reduced models were employed. While such comprehensive models predicted better flame structure and far better biproducts compared to the existing experimental results, it has also led to over-predicting the temperature field. The computational results have also shown that BioDiesel produces a marginally higher rate of CO2 compared to Diesel. Such results are thought to be due to the Oxygenated nature of the fuel and how such feature influences the development of a comprehensive reaction mechanism for such fuels.

Keywords

Dates

  • Submission Date2014-11-06
  • Revision Date2015-03-07
  • Acceptance Date2015-03-19
  • Online Date2015-04-04

DOI Reference

10.2298/TSCI141106038A

References

  1. Nigama, P. S., and Singh, A. Production of liquid BioFuels from renewable resources, in Progress in Energy and Combustion Science. Vol. 37, no. 1, pp. 52-68, 2011.
  2. Demirbas, A. Progress and recent trends in BioFuels, in Progress in Energy and Combustion Science. Vol. 33, no. 1, pp. 1-18, 2007.
  3. Xue, J., Grift, T. E., Hansena, A. C. Effect of BioDiesel on engine performances and emissions, in Renewable and Sustainable Energy Reviews. Vol. 15, pp. 1098-1116, 2011.
  4. Widman, J. F. and Presser, C. A benchmark experimental database for multiphase combustion model input and validation, in Combustion and Flame. Vol. 129, no. 1, pp.47-86, 2002.
  5. Collazo, J. Porteiro, J., Patio, D., Miguez, J. L., E. Granada, E., Moran, J. Simulation and experimental validation of a methanol burner, in Fuel. Vol. 88, pp. 326-334, 2009.
  6. Poinsot, T. and Veynante, D. Theoretical and numerical combustion. RT Edwards, Inc., 2005.
  7. Menter, F. R. Two-equation eddy-viscosity turbulence models for engineering applications, AIAA Journal. Vol. 32, no. 8, pp. 1598-1605, 1994.
  8. Peters, N. Laminar Diffusion Flamelet Models in Non-Premixed Turbulent Combustion, in Progress in Energy and Combustion Science. Vol. 10, pp 319-339, 1984.
  9. ANSYS Inc., ANSYS Fluent 12.1 Theory Guide, 2009.
  10. Warth, V., Battin-Leclerc, F., Fournet, R., Glaude, P., Guy-Marie Com, and Gerard Scacchi. Computer based generation of reaction mechanisms for gas-phase oxidation, in Computers and Chemistry. Vol. 24, pp. 541-560, 2000.
  11. Wallington, T. J., Kaiser, E.W., Farrellc, J. T. Automotive fuels and internal combustion engines: a chemical perspective, in Chemical Society Reviews. Vol. 35, no. 4, pp 335-347, 2005.
  12. Ranzi, E.; Sogaro A.; Gaffuri P.; Pennati G.; Westbrook C. K.; Pitz W. J. A new comprehensive reaction mechanism for combustion of hydrocarbon fuels. Combust. Flame 1994, 99, 201-211
  13. Herbinet, O., Biet, J., Hakka, M. H., Warth, V., Glaude, P. A., Nicolle, A., Leclerc, F. B. Modelling study of the low-temperature oxidation of large methyl esters from C11 to C19, in Proceedings of the Combustion Institute. Vol. 33, no. 1, pp. 391-398, 2011.
  14. garfield.chem.elte.hu/Burcat/burcat.html.
  15. Chemical-Kinetic Mechanisms for Combustion Applications, San Diego Mechanism web page, Mechanical and Aerospace Engineering (Combustion Research), University of California at San Diego (combustion.ucsd.edu).
  16. Warth, V., Stef, N., Glaude, P. A., Battin-Leclerc, F., Scacchi, G., Cme, G. M. Computer aided derivation of gas-phase oxidation mechanisms: application to the modelling of the oxidation of n-butane, in Combustion and Flame. Vol. 114, no. 1-2, pp. 81-102, 1998.
  17. Oehlschaeger, M. A., Davidson, D. F., Herbon, J. T., Hanson, R. K. International Journal of Chemical Kinetics. Vol. 36, 2003.
  18. Sarathy, S. M., Westbrook, C. K., Mehl, M., Pitz, W. J., Togbe, C., Dagaut, P., Wang, H., Oehlschlaeger, M. A., Niemann, U., Seshadri, K., Veloo, P. S., Ji, C., Egolfopoulos, F. N., Lu, T. Comprehensive chemical kinetic modelling of the oxidation of 2-methylalkanes from C7 to C20, in Combustion and Flame. Vol. 158, pp. 2338-2357, 2011.