Document Type : Scientific extension


1 Professor, Department of Mechnanical Enginnering, Tarbiat Modares University ،Tehran، Iran

2 Assistant Professor, Aerospace Research Institute, Ministry of Science, Research and Technology، Tehran،Iran

3 PhD Student, Department of Mechnanical Enginnering, Tarbiat Modares University ،Tehran،Iran


Nowadays, the reduction of pollutants emission from combustion processes is integrated to the design of combustors. The chemical reactor network approach is a applicable method for estimating the emission of pollutants such as NOx in combustion systemsdue to cost reductions, fast and appropriate accuracy in results. This method requires the initial flow field data to build the reactors network. In this paper, the application of computational fluid dynamics as one of the most commonly used methods in determiningthe flow field characteristics and providing basic information for the construction of reactors networks was investigated. In this paper various approaches of turbulent flow modeling, applied chemical mechanisms and combustion regimes were studied in order to use the results in constructing CRNs. Although CFD can enhance the constraction of CRNs and improve the results butit should be noted that increasing the fidelity of CFD results should not be the cause of adding computational costs because CRNs can provide appropriate results even with a minimal number of reactors.


[1]   Rostami, E.  and et al., "Investigation of the effect of liquid viscosity on the primary break up lengths and droplet diameter and ligament diameter and instability of a swirling annular liquid sheet," Journal of Advanced Physics,. Vol. 3, No. 2, 2014, pp. 171-178.
[2]   Saboohi, Z., Ommi, F. and Akbari, M., "Multi-objective optimization approach toward conceptual design of gas turbine combustor," Applied Thermal Engineering, Vol. 148, 2019, pp. 1210-1223.
[3]   Rostami, E. and et al., "Effect of gas-to-liquid density ratios at differentliquid viscosity on the atomization of the air-blast atomizer," Australian Journal of Mechanical Engineering, Vol. 15, No. 2, 2017, pp. 125-136.
[4] Khodayari, H., Ommi, F. and Rostami, E., "Simulation and investigation of the turbine blade cooling film heat transfer effects," Journal of Mechanical Engineering of Tabriz University, Vol. 46, 2016, pp. 99-107 (In Persian).
[5]    Saboohi, Z., "Conceptual design of conventional air gas turbine combustion chamber using multi-objective optimization approach," Ph.D. Disertation, Tarbiat Modares University, Tehran, Iran, 2017 (In Persian).
[6]  Lee, D. and et al., "A simulation for prediction of nitrogen oxide emissions in lean premixed combustor," Journal of mechanical science and technology, Vol. 25, No. 7, 2011, pp. 1871.
[7]  Ommi, F. and Saboohi, Z., "Conceptual design of conventional gas turbine combustors aiming at pollutants emission prediction," Modares Mechanical Engineering, Vol. 16, 2017, pp. 429-440 (In Persian).
[8]    Saboohi, Z., F. Ommi and A. Fakhrtabatabaei, "Development of an augmented conceptual design tool for aircraft gas turbine combustors," The International Journal of Multiphysics, Vol. 10, No. 1, 2016.
[9]    Ommi, F. and Z. Saboohi, "Conceptual Design of ‍Conventional Gas Turbine Combustors Aiming at Pollutants Emission Prediction," Modares Mechanical Engineering, Vol. 16, No. 10, 2016, p. 429-440.
[10] Rubins, P.M. and Pratt, D.T., ASME Technical Paper: JPGC/FACT, 1991, New York, NY: The American Society of Mechanical Engineers.
[11] Saboohi, Z. and Ommi, F. "Emission prediction in conceptual design of the aircraft engines using augmented CRN." The Aeronautical Journal, Vol. 121, Issue 1241, 2017.
[12] Habibi, M., Ommi, F., and Saboohi, Z., "Investigation of the effects of steam addition on the conceptual design and pollutants emission of the gas turbine combustor," Modares Mechanical Engineering, Vol. 18, 2018, pp. 85-96 (In Persian).
[13]  Falcitelli, M. and et al., "CFD+reactor network analysis: an integrated methodology for the modeling and optimisation of industrial systems for energy saving and pollution reduction," Applied Thermal Engineering, Vol. 22, No. 8, 2002, pp. 971-979.
[14]  Falcitelli, M., Tognotti, L. and Pasini, S., "An algorithm for extracting chemical reactor network models from cfd simulation of industrial combustion systems," Combustion Science and Technology, Vol. 174, No. 11-12, 2002, pp. 27-42.
[15]  Mancini, M. and et al., "On mathematical modelling of flameless combustion," Combustion and flame, Vol. 150, No. 1-2, 2007, pp. 54-59.
[16]  Falcitelli, M., S. Pasini, and L. Tognotti, "Modelling practical combustion systems and predicting NOx emissions with an integrated CFD based approach," Computers & Chemical Engineering, Vol. 26, No. 9, 2002, p. 1171-1183.
[17]  Pedersen, L.S., et al., Residence Time Distributions in Confined Swirling Flames. Combustion Science and Technology, Vol. 127, No. 1-6, 1997, p. 251-273.
[18]  Novosselov, I.V. and P.C. Malte, "Development and Application of an Eight-Step Global Mechanism for CFD and CRN Simulations of Lean-Premixed Combustors," Journal of Engineering for Gas Turbines and Power, Vol. 130, No. 2,  2008, p. 021502-021502-9.
[19]  Van der Lans, R.P. and et al., "Residence time distributions in a cold, confined swirl flow: Implications for chemical engineering combustion modelling," Chemical Engineering Science, Vol. 52, No. 16, 1997, p. 2743-2756.
[20]  Drennan, S.A. and et al., Flow Field Derived Equivalent Reactor Networks for Accurate Chemistry Simulation in Gas Turbine Combustors, Vol. 2, 2009, p. 647-656.
[21]  Fichet, V. and et al., "A reactor network model for predicting NOx emissions in gas turbines," Fuel, Vol. 89, No. 9, 2010, pp. 2202-2210.
[22]  Novosselov, I. and et al., "Chemical reactor network application to emissions prediction for industial dle gas turbine", American Society of Mechanical Engineers, Vol. 1, 2006, pp. 221-235
[23]  Niksa, S. and G.-S. Liu, "Incorporating detailed reaction mechanisms into simulations of coal-nitrogen conversion in pf flames," Fuel, Vol. 81, No. 18, 2002. p. 2371-2385.
[24]  Niksa, S., G.-s. Liu, and R.H. Hurt, "Coal conversion submodels for design applications at elevated pressures. Part I. devolatilization and char oxidation," Progress in Energy and Combustion Science, Vol. 29, No. 5, 2003, pp.425-477.
[25]  Faravelli, T., A. Frassoldati, and E. Ranzi, Kinetic modeling of the interactions between NO and hydrocarbons in the oxidation of hydrocarbons at low temperatures. Combustion and Flame, Vol. 132, No. 1, 2003, pp. 188-207.
[26]  Benedetto, D., et al., "NOxemission prediction from 3-D complete modelling to reactor network analysis," Combustion science and technology, Vol. 153, No. 1, 2000, pp. 279-294.
[27]  Colorado, A. and V. McDonell, "Emissions and stability performance of a low-swirl burner operated on simulated biogas fuels in a boiler environment," Applied Thermal Engineering, 2018, Vol. 130, pp. 1507-1519.
[28]  Westbrook, C.K. and F.L. Dryer, Simplified reaction mechanisms for the oxidation of hydrocarbon fuels in flames. Combustion science and technology, Vol. 27, No. 1-2, 1981, pp. 31-43.
[29]  Peters, N. and B. Rogg, Reduced Kinetic Mechanisms for Applications In Combustion Systems, Vol. 15. Springer Science & Business Media, 2008.
[30]   Innocenti, A., et al., "Turbulent Flow-Field Effects in A Hybrid CFD-CRN Model for The Prediction of NO X and CO Emissions In Aero-Engine Combustors," Fuel, Vol. Vol. 215, 2018, pp. 853-864.
[31]   Monaghan, R.F., et al., "Detailed Emissions Prediction for a Turbulent Swirling Nonpremixed Flame," Energy & Fuels, Vol. 28, No. 2, 2014, pp. 1470-1488.
[32]   Novosselov, I., Eight-Step Global Kinetic Mechanism on Methane Oxidation with Nitric Oxide Formation for Lean Premixed Combustion Turbines. 2018.
[33]   Monaghan, R.F., et al., "Detailed Multi-Dimensional Study of Pollutant Formation in a Methane Diffusion Flame," Energy & fuels, Vol. 26, No. 3, 2012, pp. 1598-1611.
[34]   Selle, L. and et al., "Compressible large eddy simulation of turbulent combustion in complex geometry on unstructured meshes," Combustion and Flame, 137, No.4, 2004, pp. 489-505.
[35]   Roux, S. and et al., Studies of Mean and Unsteady Flowin a Swirled Combustor using Experiments, Acoustic Analysis and Large Eddy Simulations, Vol. 141, 2005, pp. 40-54.
[36]   Bissières, D., Bérat, C. and Gicquel, L., "Large Eddy Simulation Predicitons and Validations of a Gas Turbine Combustion Chamber," Proceedings of 17th International Symposium on Airbreathing Engines (ISABE), Munich, Allemagne, paper ISABE-2005-1060. 2005.
[37]   Spalding, D.B., "Mixing and Chemical Reaction in Steady Confined Turbulent Flames," Symposium (International) on Combustion, Vol. 13, No. 1, 1971, pp. 649-657.
[38]   Magnussen, B.F. and Hjertager, B.H. "On Mathematical Modeling of Turbulent Combustion with Special Emphasis on Soot Formation and Combustion," Symposium (International) on Combustion, Vol. 16, Issue 1, 1977, pp. 719-729.
[39]   Lumley, J. and A. M. Yaglom, A Century of Turbulence. Vol. 66. 2001. pp. 241-286.
[40]   Lucca-Negro, O. and O'Doherty, T., Vortex breakdown: a review, Progress in Energy and Combustion Science, Vol. 27, No.4, 2001, pp. 431-481.
[41]   Schmittel, P. and et al., "Turbulent swirling Flames: Experimental Investigation of the Flow Field and Formation of Nitrogen Oxide," Proceedings of the Combustion Institute, Vol. 28, No. 1, 2000, pp. 303-309.
[42]   Biagioli, F., "Stabilization mechanism of turbulent premixed flames in strongly swirled flows," Combustion Theory and Modelling, Vol. 10, No. 3, 2006, pp. 389-412.
[43]   Mahesh, K. and et al., "Large-Eddy Simulation of Reacting Turbulent Flows in Complex Geometries," The American Society of Mechanical Engineers, Vol. 73, No. 3, 2005, pp. 374-381.
[44]   Schmitt, P. and et al., "Large-eddy simulation and experimental study of heat transfer, nitric oxide emissions and combustion instability in a swirled turbulent high-pressure burner," Journal of Fluid Mechanics, Vol. 570, 2007, pp. 17-46.
[45]   Wang, S., et al., "Large-eddy simulations of gas-turbine swirl injector flow dynamics," Journal of Fluid Mechanics, Vol. 583, 2007, pp. 99-122.
[46]   Sengissen, A.X. and et al., Large eddy simulation of piloting effects on turbulent swirling flames, Proceedings of the Combustion Institute, Vol. 31, No. 2, 2007, pp. 1729-1736.
[47]   Smagorinsky, J., "General Circulation Experiments with The Primitive Equations," Monthly Weather Review, Vol. 91, No. 3, 1963, pp. 99-164.
[48]   Germano, M. and et al., "A dynamic subgrid‐scale eddy viscosity model," Physics of Fluids A: Fluid Dynamics, Vol. 3, No. 7, 1991, pp. 1760-1765.
[49]   Hanjalic, K., "Will RANS Survive LES? A View of Perspectives," Journal of Fluids Engineering, Vol. 127,No. 5, 2005, p. 831-839.
[50]   Nogenmyr, K.-J., et al., "Large eddy simulation and experiments of stratified lean premixed methane/air turbulent flames," Proceedings of the Combustion Institute, Vol. 31, No. 1, 2007, pp. 1467-1475.
[51]   Carlsson, H. and et al., "Large eddy simulations and rotational CARS/PIV/PLIF measurements of a lean premixed low swirl stabilized flame," Combustion and Flame, Vol. 161, No. 10, 2014, pp. 2539-2551.
[52]   Bell, J., Day, M. and Lijewski, M., "Simulation of nitrogen emissions in a premixed hydrogen flame stabilized on a low swirl burner," Proceedings of the Combustion Institute, Vol. 34, No. 1, 2013, pp. 1173-1182.
[53]   Day, M. and et al., "A combined computational and experimental characterization of lean premixed turbulent low swirl laboratory flames II. Hydrogen flames," Combustion and Flame, Vol. 162, No. 5, 2015, pp. 2148-2165.
[54]   Neumayer, M. and C. Hirsch, RANS Simulation of Methane Combustion in a Low Swirl Burner, (M. Thesis Sc.) Technische Universität München, 2013, Munich-Germany.
[55]   Lezcano, C., Amell, A. and Cadavid, F., "Numerical Calculation of the Recirculation Factor in Flameless Furnaces," Dyna, Vol. 80, No. 180, 2013, pp. 144-151.
[56]   Lefebvre, A.H. and Ballal, D.R. Gas Turbine Combustion: Alternative Fuels and Emissions, Third Edition, Taylor & Francis, 2010.
[57]   Peters, N., Turbulent Combustion. Cambridge Monographs on Mechanics. 2000, Cambridge: Cambridge University Press.
[58]   Novosselov, I., Chemical Reactor Networks for Combustion Systems Modeling, 2018.
[59]   Bulat, G., Jones, W. and Marquis, A., "NO and CO Formation In an Industrial Gas-Turbine Combustion Chamber Using LES with the Eulerian Sub-grid PDF Method," Combustion and Flame, Vol. 161, No. 7, 2014, pp. 1804-1825.
[60]   Frassoldati, A. and et al., "Experimental and modeling study of a low NOx combustor for aero-engine turbofan," Combustion Science and Technology, Vol. 181, No. 3, 2009, pp. 483-495.
[61]   Hao, N.T., "A chemical reactor network for oxides of nitrogen emission prediction in gas turbine combustor," Journal of Thermal Science, Vol. 23, No. 3, 2014, pp. 279-284.
[62]   Kanniche, M.,  "Coupling CFD with chemical reactor network for advanced NOx prediction in gas turbine," Clean Technologies and Environmental Policy, Vol. 12, No. 6, 2010, pp. 661-670.
[63]   Russo, C. and et al. "Micro gas turbine combustor emissions evaluation using the chemical reactormodelling approach," Vol. 2: Turbo Expo 2007, Conference Sponsors: International Gas Turbine Institute, pp. 531-542.
[64]   van Oijen, J.A., Lammers, F.A. and de Goey, L.P.H. "Modeling of complex premixed burner systems by using flamelet-generated manifolds," Combustion and Flame, Vol. 127, No. 3, 2001, pp. 2124-2134.
[65]   ANSYS Fluent Theory Guide. Release v.14.
[66]   Held, T. and Mongia. H., "Application of a Partially Premixed Laminar Flamelet Model to a Low Emissions Gas Turbine Combustor," ASME 1998 International Gas Turbine and Aeroengine Congress and Exhibition, American Society of Mechanical Engineers, 1998.
[67]   Stevens, E., Held, T. and Mongia, H., "Swirl cup modeling part VII: partially-premixed laminar flamelet model validation and simulation of a single-cup combustor with gaseous n-heptane," 41st Aerospace Sciences Meeting and Exhibit. 2003.
[68]   Held, T. and et al., "A data-driven model for NO (x), CO and UHC emissions for a dry low emissions gas turbine combustor," 37th Joint Propulsion Conference and Exhibit, 2001.
[69]   Perpignan, A.A. and et al., "Emission Modeling of an Interturbine Burner Based on Flameless Combustion," Energy & Fuels, Vol. 32, No. 1, 2018, pp. 822-838.
[70]   Iaccarino, G., "Predictions of a turbulent separated flow using commercial CFD codes," Journal of Fluids Engineering, Vol. 123, No. 4, 2001, pp. 819-828.