Implementation and Validation of a REDIM-Based CFD Solver for Combustion Applications
DOI:
https://doi.org/10.18321/ectj1681Keywords:
Reaction-diffusion manifolds (REDIM), Laminar flames, Direct numerical simulation (DNS), Reduced chemistry, Flame extinctionAbstract
The complexity of the combustion process makes the computational time using a detailed mechanism unacceptable, therefore, it is necessary to simplify the mechanism. The reaction-diffusion manifolds (REDIM) method is a reduction model that takes the coupling of molecular diffusion and chemical reactions into account to reduce computing times, and can be utilized in different types of combustion simulations. In this work, the REDIM method is implemented into a new OpenFOAM-based CFD solver. The use of both generalized and physical coordinates to represent the manifold is analyzed for freely propagating laminar flames. The REDIM-based solver is then used to calculate 2D laminar counterflow flames. Different detailed mechanisms, progress variables and inlet velocities are applied to calculate the 2D counterflow flames and to evaluate the performance of REDIM at steady and extinction conditions. It is shown that the results computed by the REDIM method have good agreement with the results obtained by detailed simulations. Furthermore, the REDIM method offers a significant reduction in computational cost in the newly developed solver.
References
(1) J. Warnatz, U. Maas, R.W. Dibble, Combustion: Physical and Chemical Fundamentals, Modeling and Simulation, Experiments, Pollutant Formation, Berlin: Springer, 2006.
(2) J.A. van Oijen, A. Donini, R.J.M. Bastiaans, et al., State-of-the-art in premixed combustion modeling using flamelet generated manifolds, Prog. Energy Combust. Sci. 57 (2016) 30─74. Crossref
(3) F.A. Williams, Combustion Theory, 2nd Edition, Westview Press, 1985.
(4) M. Rein, The partial-equilibrium approximation in reacting flows, Phys. Fluids 4 (1992) 873–886. Crossref
(5) U. Maas, S.B. Pope, Simplifying chemical kinetics: Intrinsic low-dimensional manifolds in composition space, Combust. Flame 88 (1992) 239–264. Crossref
(6) S. Lam, D. Goussis, Understanding complex chemical kinetics with computational singular perturbation, Proc. Combust. Inst. 22 (1989) 931–941. Crossref
(7) O. Gicquel, N. Darabiha, D. Thévenin, Liminar premixed hydrogen/air counterflow flame simulations using flame prolongation of ILDM with differential diffusion, Proc. Combust. Inst. 28) (2000) 1901–1908. Crossref
(8) V. Bykov, U. Maas, Extension of the ILDM method to the domain of slow chemistry, Proc. Combust. Inst. 31 (2007) 465–472. Crossref
(9) J.A. van Oijen, L.P.H. de Goey, Modelling of premixed laminar flames using flamelet-generated manifolds, Combust. Sci. Technol. 161 (2000) 113–137. Crossref
(10) V. Bykov, U. Maas, The extension of the ILDM concept to reaction–diffusion manifolds, Combust. Theory Model. 11 (2007) 839–862. Crossref
(11) V. Bykov, A. Neagos, U. Maas, On transient behavior of non-premixed counter-flow diffusion flames within the REDIM based model reduction concept, Proc. Combust. Inst. 34 (2013) 197–203. Crossref
(12) A. Neagos, V. Bykov, U. Maas, Study of extinction limits of diluted hydrogen-air counter-flow diffusion flames with the REDIM method, Combust. Sci. Technol. 186 (2014) 1502–1516. Crossref
(13) P. Golda, A. Blattmann, A. Neagos, et al., Implementation problems of manifolds-based model reduction and their generic solution, Combust. Theory Model. 24 (2020) 377–406. Crossref
(14) C. Yu, F. Minuzzi, U. Maas, REDIM reduced chemistry for the simulation of counterflow diffusion flames with oscillating strain rates, Combust. Theory Model. 24 (2020) 682–704. Crossref
(15) K. Koenig, V. Bykov, U. Maas, Investigation of the dynamical response of methane/air counterflow flames to inflow mixture composition and flow field perturbations, Flow Turbulence Combust. 83 (2009) 105–129. Crossref
(16) R. De Meester, B. Naud, U. Maas, B. Merci, Transported scalar PDF calculations of a swirling bluff body flame (‘SM1’) with a reaction diffusion manifold, Combust. Flame 159 (2012) 2415–2429. Crossref
(17) P. Wang, F. Zieker, R. Schießl, et al., Large eddy simulations and experimental studies of turbulent premixed combustion near extinction, Proc. Combust. Inst. 34 (2013) 1269–1280. Crossref
(18) C.J. Greenshields, OpenFOAM User Guide (version 7), CFD Direct Ltd. (2019).
(19) Y. Luo, C. Strassacker, F. Ferraro, et al., A manifold-based reduction method for side-wall quenching considering differential diffusion effects and its application to a laminar lean dimethyl ether flame, Int. J. Heat Fluid Flow 97 (2022) 109042. Crossref
(20) Y. Luo, C. Strassacker, U. Maas, C. Hasse, Model reduction on the fly: Simultaneous identification and application of reduced kinetics for the example of flame-wall interactions, Proc. Combust. Inst. 39 (2023) 5239–5248. Crossref
(21) P. Shrotriya, R. Schiessl, C. Yu, et al., An iterative methodology for redim reduced chemistry generation and its validation for partially-premixed combustion, Combust. Theory Model. 28 (2024) 65–98. Crossref
(22) P. Shrotriya, R. Schiessl, V. Bykov, U. Maas, LES of turbulent partially-premixed flames using reaction–diffusion manifold-reduced chemistry with a consistent gradient estimate determined ”on the fly”, Proc. Combust. Inst. 40 (2024) 105273. Crossref
(23) N. Li, Application of reaction-diffusion manifolds (REDIM) for the simulation of laminar diffusion flames, PhD dissertation, Karlsruhe Institute of Technology (2024).
(24) T.J. Poinsot, D.P. Veynante, (2004). Combustion. In Encyclopedia of Computational Mechanics (eds E. Stein, R. Borst and T.J.R. Hughes). Crossref
(25) T. Zirwes, F. Zhang, P. Habisreuther, et al., Quasi-DNS dataset of a piloted flame with inhomogeneous inlet condi tions, Flow Turbulence Combust. 104 (2020) 997–1027. Crossref
(26) T. Zirwes, M. Sontheimer, F. Zhang, et al., Assessment of numerical accuracy and parallel performance of OpenFOAM and its reacting flow extension EBIdnsFoam, Flow Turbulence Combust. 111 (2023) 567–602. Crossref
(27) J.O. Hirschfelder, C.F. Curtiss, R.B. Bird, Molecular Theory of Gases and Liquids, John Wiley & Sons, 1964.
(28) R.J. Hall, The radiative source term for plane-parallel layers of reacting combustion gases, J. Quant. Spectrosc. Radiat. Transfer 49 (1993) 517–523. Crossref
(29) R.J. Hall, Radiative dissipation in planar gas-soot mixtures, J. Quant. Spectrosc. Radiat. Transfer 51 (1994) 635–644. Crossref
(30) W.L. Grosshandler, RADCAL: A narrow-band model for radiation calculations in a combustion environment, Tech. Rep. Nr. 1402, National Institute of Standards and Technology (1993). Crossref
(31) D.G. Goodwin, R.L. Speth, H.K. Moffat, B.W. Weber, Cantera: An object-oriented software toolkit for chemical kinetics, thermodynamics, and transport processes, Version 2.5.1, 2021. Available: URL
(32) C. Yu, P. Shrotriya, X. Li, U. Maas, Reduced modeling of the nox formation based on the reaction-diffusion manifolds method for counterflow diffusion flames, Proc. Combust. Inst. 39 (2023) 1587–1596. Crossref
(33) U. Maas, D. Thévenin, Correlation analysis of direct numerical simulation data of turbulent non-premixed flames, Proc. Combust. Inst. 27 (1998) 1183–1189. Crossref
(34) U. Maas, V. Bykov, The extension of the reaction/diffusion manifold concept to systems with detailed transport models, Proc. Combust. Inst. 33 (2011) 1253–1259. Crossref
(35) U. Maas, J. Warnatz, Ignition processes in hydrogen-oxygen mixtures, Combust. Flame 74 (1988) 53–69. Crossref
(36) J. Bauer, V. Bykov, U. Maas, Implementation of ILDMs based on a representation in generalized coordinate, in: European Conference on Computational Fluid Dynamics, ECCOMAS CFD 2006, Egmond aan Zee, The Netherlands, 2006, pp. 5–8.
(37) V. Bykov, A. Neagos, A. Klimenko, U. Maas, Hierarchical structure of slow manifolds of reacting flows, Z. Phys. Chem. 229 (2015) 833–856. Crossref
(38) R. Schießl, V. Bykov, U. Maas, et al., Implementing multi-directional molecular diffusion terms into Reaction Diffusion Manifolds (REDIMs), Proc. Combust. Inst. 36 (2017) 673–679. Crossref
(39) G. Stahl, J. Warnatz, Numerical investigation of time-dependent properties and extinction of strained methane and propane-air flamelets, Combust. Flame 85 (1991) 285–299. Crossref
(40) J. Nafe, U. Maas, A general algorithm for improving ildms, Combust. Theory Modelling 6 (2002) 697–709. Crossref
(41) OpenFOAM: The Open Source CFD Toolbox [Online]. Available: URL Accessed: 30 June 2020
(42) P.H. de Almeida Konzen, T. Richter, U. Riedel, U. Maas, Implementation of REDIM reduced chemistry to model an axisymmetric laminar diffusion methane–air flame, Combust. Theory Model. 15 (2011) 299–323. Crossref
(43) B. Merci, B. Naud, D. Roekaerts, U. Maas, Joint Scalar versus Joint Velocity-Scalar PDF Simulations of Bluff-Body Stabilized Flames with REDIM, Flow Turbulence Combust. 82 (2009) 185–209. Crossref
(44) C. Strassacker, V. Bykov, U. Maas, Parametrization and projection strategies for manifold based reduced kinetic models, Proc. Combust. Inst. 37 (2019) 763–770. Crossref
(45) U. Prüfert, S. Hartl, F. Hunger, et al., A constrained control approach for the automated choice of an optimal progress variable for chemistry tabulation, Flow Turbulence Combust. 94 (2015) 593─617. Crossref
(46) A.H.-D. Cheng, D.T. Cheng, Heritage and early history of the boundary element method, Eng. Anal. Bound. Elem. 29 (2005) 268–302. Crossref
(47) SanDiego-MEchanism, mechanical and Aerospace Engineering (Combustion Research), University of California at San Diego (2016).
(48) R. Barlow, J. Frank, A. Karpetis, J.-Y. Chen, Piloted methane/air jet flames: Transport effects and aspects of scalar structure, Combust. Flame 143 (2005) 433–449. Crossref
(49) M. Bundy, A. Hamins, K. Y. Lee, Suppression limits of low strain rate non-premixed methane flames, Combust. Flame 133 (2003) 299–310. Crossref
(50) C.B. Oh, A. Hamins, M. Bundy, J. Park, The two-dimensional structure of low strain rate counterflow nonpremixed-methane flames in normal and microgravity, Combust. Theory Model. 12 (2008) 283–302. Crossref
(51) G.P. Smith, D.M. Golden, M. Frenklach et al., “GRI-Mech 3.0,” 1999. [Online]. Available: URL [Accessed: Mar. 14, 2010].
(52) H. Pitsch, H. Steiner, Large-eddy simulation of a turbulent piloted methane/air diffusion flame (Sandia flame D), Phys. Fluids 12 (2000) 2541–2554. Crossref
(53) H. Pitsch, Unsteady flamelet modeling of differential diffusion in turbulent jet diffusion flames, Combust. Flame 123 (2000) 358–374. Crossref
(54) A. Kronenburg, A. Papoutsakis, Conditional moment closure modeling of extinction and reignition in turbulent non-premixed flames, Proc. Combust. Inst. 30 (2005) 759–766. Crossref
(55) H. Chelliah, C.K. Law, T. Ueda, et al., An experimental and theoretical investigation of the dilution, pressure and flow-field effects on the extinction condition of methane-air-nitrogen diffusion flames, Proc. Combust. Inst. 23 (1991) 503–511. Crossref
(56) C. Yu, P. Breda, F. Minuzzi, et al., A novel model for incorporation of differential diffusion effects in PDF simulations of non-premixed turbulent flames based on reaction-diffusion manifolds (REDIM), Phys. Fluids 33 (2021) 025110. Crossref
(57) B.A.V. Bennett, M.D. Smooke, Local rectangular refinement with application to axisymmetric laminar flames, Combust. Theory Model. 2 (1998) 221–258. Crossref
(58) B.A.V. Bennett, Z. Cheng, R. Pitz, M.D. Smooke, Computational and experimental study of oxygen-enhanced axisymmetric laminar methane flames, Combust. Theory Model. 12 (2008) 497–527. Crossref







