Laminar Burning Velocity Predictions of Single-Fuel Mixtures of C1-C7 Normal Hydrocarbon and Air

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Abstract

The numerical modelling of combustion phenomena is an important task due to safety issues and development and optimization of engines. Laminar burning velocity (LBV) is one of the most important physical properties of a flammable mixture. Knowing its exact value if crucial for assessment of flame stabilization, turbulent flame structure. It influences strongly safety, probability of knocking combustion and it is one of parameters used for assessment and development of detailed chemical kinetic mechanisms. Hence, the goal of this work is to develop models by means of Machine Learning algorithms for predicting laminar burning velocities of single-fuel C1-C7 normal hydrocarbon and air mixtures. Development of the models is based on a large experimental data set collected from literature. In total more than 1000, LBVs were accumulated for hydrocarbons from methane up to n-heptane. The models are developed in MATLAB 2018a with use of Machine Learning toolbox. Algorithms taken into account are multivariate regression, support vector machine, and artificial neural network. Performance of the models is compared with most widely used detailed chemical kinetics mechanisms’ predictions obtained with use of LOFEsoft. These kind of models might be efficiently used in CFD combustion models based on flamelet approach. The main advantage in comparison to chemical kinetics calculation is much shorter computational time needed for computations of a single value and comparable performance in terms of R2 (coefficient of determination), RMSE (root-mean-square error) and MAE (mean absolute error).

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  • [1] Kelley A. P. Smallbone A. J. Zhu D. L. Law C. K. Laminar flame speeds of C5 to C8 n-alkanes at elevated pressures: Experimental determination fuel similarity and stretch sensitivity Proc. Combust. Inst. Vol. 33 No. 1 pp. 963-970 2011.

  • [2] Smallbone A. J. Liu W. Law C. K. You X. Q. Wang H. Experimental and modelling study of laminar flame speed and non-premixed counterflow ignition of n-heptane Proc. Combust. Inst. Vol. 32 No. 1 pp. 1245-1252 2009.

  • [3] Veloo P. S. Wang Y. L. Egolfopoulos F. N. Westbrook C. K. A comparative experimental and computational study of methanol ethanol and n-butanol flames Combust. Flame Vol. 157 No. 10 pp. 1989-2004 2010.

  • [4] Bosschaart K. J. De Goey L. P. H. The laminar burning velocity of flames propagating in mixtures of hydrocarbons and air measured with the heat flux method Combust. Flame Vol. 136 No. 3 pp. 261-269 2004.

  • [5] Goswami M. Bastiaans R. J. M. de Goey L. P. H. Konnov A. A. Experimental and modelling study of the effect of elevated pressure on ethane and propane flames Fuel Vol. 166 pp. 410-418 2016.

  • [6] Mathieu O. Goulier J. Gourmel F. Mannan M. S. Chaumeix N. Petersen E. L. Experimental study of the effect of CF3I addition on the ignition delay time and laminar flame speed of methane ethylene and propane Proc. Combust. Inst. Vol. 35 No. 3 pp. 2731-2739 2015.

  • [7] Jomaas G. Zheng X. L. Zhu D. L. Law C. K. Experimental determination of counterflow ignition temperatures and laminar flame speeds of C2–C3 hydrocarbons at atmospheric and elevated pressures Proc. Combust. Inst. Vol. 30 No. 1 pp. 193-200 2005.

  • [8] Veloo P. S. Egolfopoulos F. N. Studies of n-propanol iso-propanol and propane flames Combust. Flame Vol. 158 No. 3 pp. 501-510 2011.

  • [9] Tang C. Zheng J. Huang Z. Wang J. Study on nitrogen diluted propane–air premixed flames at elevated pressures and temperatures Energy Convers. Manag. Vol. 51 No. 2 pp. 288-295 2010.

  • [10] Davis S. G. Law C. K. Wang H. Propene pyrolysis and oxidation kinetics in a flow reactor and laminar flames Combust. Flame Vol. 119 No. 4 pp. 375-399 1999.

  • [11] Konnov A. A. Dyakov I. V. De Ruyck J. Measurement of adiabatic burning velocity in ethane–oxygen–nitrogen and in ethane–oxygen–argon mixtures Exp. Therm. Fluid Sci. Vol. 27 No. 4 pp. 379-384 2003.

  • [12] Hermanns R. T. E. Konnov A. A. Bastiaans R. J. M. de Goey L. P. H. Lucka K. Köhne H. Effects of temperature and composition on the laminar burning velocity of CH4 + H2 + O2 + N2 flames Fuel Vol. 89 No. 1 pp. 114-121 2010.

  • [13] Jerzembeck S. Peters N. Pepiot-Desjardins P. Pitsch H. Laminar burning velocities at high pressure for primary reference fuels and gasoline: Experimental and numerical investigation Combust. Flame Vol. 156 No. 2 pp. 292-301 2009.

  • [14] Goswami M. Derks S. C. R. Coumans K. Slikker W. J. de Andrade Oliveira M. H. Bastiaans R. J. M. Luijten C. C. M. de Goey L. P. H. Konnov A. A. The effect of elevated pressures on the laminar burning velocity of methane+air mixtures Combust. Flame Vol. 160 No. 9 pp. 1627-1635 2013.

  • [15] Wu Y. Modica V. Rossow B. Grisch F. Effects of pressure and preheating temperature on the laminar flame speed of methane/air and acetone/air mixtures Fuel Vol. 185 pp. 577-588 2016.

  • [16] Park O. Veloo P. S. Liu N. Egolfopoulos F. N. Combustion characteristics of alternative gaseous fuels Proc. Combust. Inst. Vol. 33 No. 1 pp. 887-894 2011.

  • [17] Rozenchan G. Zhu D. L. Law C. K. Tse S. D. Outward propagation burning velocities and chemical effects of methane flames up to 60 atm Proc. Combust. Inst. Vol. 29 No. 2 pp. 1461-1470 2002.

  • [18] Hassan M. I. Aung K. T. Faeth G. M. Measured and predicted properties of laminar premixed methane/air flames at various pressures Combust. Flame Vol. 115 No. 4 pp. 539-550 1998.

  • [19] Gu X. J. Haq M. Z. Lawes M. Woolley R. Laminar burning velocity and Markstein lengths of methane–air mixtures Combust. Flame Vol. 121 No. 1-2 pp. 41-58 2000.

  • [20] Mitu M. Giurcan V. Razus D. Oancea D. Inert gas influence on the laminar burning velocity of methane-air mixtures J. Hazard. Mater. Vol. 321 pp. 440-448 2017.

  • [21] Cai X. Wang J. Zhang W. Xie Y. Zhang M. Huang Z. Effects of oxygen enrichment on laminar burning velocities and Markstein lengths of CH4/O2/N2 flames at elevated pressures Fuel Vol. 184 pp. 466-473 2016.

  • [22] Bosschaart K. J. Goey L. P. H. Extension of the heat flux method to subatmospheric pressures Combust. Sci. Technol. Vol. 176 No. 9 pp. 1537-1564 2004.

  • [23] Troshin K. Y. Borisov A. A. Rakhmetov A. N. Arutyunov V. S. Politenkova G. G. Burning velocity of methane-hydrogen mixtures at elevated pressures and temperatures Russ. J. Phys. Chem. B Vol. 7 No. 3 pp. 290-301 2013.

  • [24] van Lipzig J. P. J. Nilsson E. J. K. de Goey L. P. H. Konnov A. A. Laminar burning velocities of n-heptane iso-octane ethanol and their binary and tertiary mixtures Fuel Vol. 90 No. 8 pp. 2773-2781 2011.

  • [25] Powell O. A. Papas P. Dreyer C. Laminar burning velocities for hydrogen- methane- acetylene- and propane-nitrous oxide flames Combust. Sci. Technol. Vol. 181 No. 7 pp. 917-936 2009.

  • [26] Ravi S. Sikes T. G. Morones A. Keesee C. L. Petersen E. L. Comparative study on the laminar flame speed enhancement of methane with ethane and ethylene addition Proc. Combust. Inst. Vol. 35 No. 1 pp. 679-686 2015.

  • [27] Zhao Z. Kazakov A. Li J. Dryer L. F. The initial temperature and N2 dilution effect on the laminar flame speed of propane/air Combust. Sci. Technol. Vol. 176 No. 10 pp. 1705-1723 2004.

  • [28] Sileghem L. Alekseev V. A. Vancoillie J. Van Geem K. M. Nilsson E. J. K. Verhelst S. Konnov A. A. Laminar burning velocity of gasoline and the gasoline surrogate components iso-octane n-heptane and toluene Fuel Vol. 112 pp. 355-365 2013.

  • [29] Dirrenberger P. Glaude P. A. Bounaceur R. Le Gall H. da Cruz A. P. Konnov A. A. Battin-Leclerc F. Laminar burning velocity of gasolines with addition of ethanol Fuel Vol. 115 pp. 162-169 2014.

  • [30] Mannaa O. Mansour M. S. Roberts W. L. Chung S. H. Laminar burning velocities at elevated pressures for gasoline and gasoline surrogates associated with (RON) Combust. Flame Vol. 162 No. 6 pp. 2311-2321 2015.

  • [31] Farrell J. T. Johnston R. J. Androulakis I. P. Molecular structure effects on laminar burning velocities at elevated temperature and pressure in {SAE} Technical Paper Series 2004.

  • [32] Burluka A. A. Gaughan R. G. Griffiths J. F. Mandilas C. Sheppard C. G. W. Woolley R. Turbulent burning rates of gasoline components Part 1 – Effect of fuel structure of C-6 hydrocarbons Fuel Vol. 167 pp. 347-356 2016.

  • [33] Park O. Veloo P. S. Sheen D. A. Tao Y. Egolfopoulos F. N. Wang H. Chemical kinetic model uncertainty minimization through laminar flame speed measurements Combust. Flame Vol. 172 pp. 136-152 2016.

  • [34] Bishop C. M. Pattern recognition and machine learning Springer 2006.

  • [35] Weisberg S. Applied linear regression Hoboken New Jersey John Wiley & Sons 2013.

  • [36] Fox J. Weisberg S. An R companion to applied regression. Multivariate linear models in R. An appendix to an R companion to applied regression Sage Publications 2011.

  • [37] Vapnik V. The nature of statistical learning theory New York Springer 1995.

  • [38] Bergstra J. Bengio Y. Random search for hyper-parameter optimization J. Mach. Learn. Res. Vol. 13 No. 1 pp. 281-305 2012.

  • [39] Geisser S. Predictive inference New York NY Chapman and Hall 1993.

  • [40] Smith G. P. Golden D. M. Frenklach M. Moriarty N. W. Eiteneer B. Bowman C. T. Hanson R. K. Song S. Gardiner W. C. Lissianski V. V. Qin Z. GRI-Mech 3.0 2016.

  • [41] Mechanical and Aerospace Engineering (Combustion Research) – University of California at San Diego Chemical-Kinetic Mechanisms for Combustion Applications San Diego Mechanism web page [Online] available: http://web.eng.ucsd.edu/mae/groups/combustion/mechanism.html 2009.

  • [42] Caltech – The force – Turbulent flow oriented research in combustion and energy CaltechMech.

  • [43] POLIMI The CRECK modelling group detailed kinetic mechanisms and CFD of reacting flows.

  • [44] Combustion Chemistry Centre (NUI Galway) NUI Galway – Combustion Chemistry Centre – Reaction Mechanism Downloads [Online] available: http://c3.nuigalway.ie/mechanisms.html.

  • [45] LOGEresearch v1.10.

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