Abstract
Machine learning techniques, such as reduced order models (ROM), have demonstrated low cost when creating models of complex systems while aiming at the same accuracy as high-fidelity models, such as computational fluid dynamics (CFD). However, reduced models must preserve some properties tied to the studied system. For a combustion problem, those are in particular monotonicity, positivity, and boundedness. Here, ROM are created using data from CFD simulations of non-premixed laminar flames with detailed chemistry and transport. The data obtained for variable fuel velocity is reduced using singular value decomposition (SVD), and then a genetic aggregation response surface algorithm is applied to predict the properties fields for an arbitrary fuel inlet velocity. This work analyzes the effect of different data preprocessing approaches on the ROM, i.e., (1) the properties treated as an uncoupled or as a coupled system; (2) normalization of different properties; (3) the logarithm of the chemical species. For all constructed ROM, the energy content of the reduction process and the reconstructed fields of the flame properties evidence the slow convergence of SVD modes for the uncoupled ROM, while a faster one is seen when the logarithm preprocessing is applied. Also, the learning is shown to be achieved with a smaller number of modes for two of the coupled ROM and for the ROM using the logarithm. The reconstruction of the mass fraction fields is characterized by regions of negative values, underscoring that the baseline ROM methodology does not preserve the properties of monotonicity, positivity, and boundedness. The proposed logarithm preprocessing enables to overcome the positivity problem and to accurately reproduce the original data.
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References
Gülder ÖL, Snelling DR (1993) Influence of nitrogen dilution and flame temperature on soot formation in diffusion flames. Combust Flame 92(1):115–124. https://doi.org/10.1016/0010-2180(93)90202-E
Jerez A, Cruz Villanueva JJ, Figueira da Silva LF, Demarco R, Fuentes A (2019) Measurements and modeling of PAH soot precursors in coflow ethylene/air laminar diffusion flames. Fuel 236:452–460. https://doi.org/10.1016/j.fuel.2018.09.047
Escudero F, Fuentes A, Consalvi J-L, Liu F, Demarco R (2016) Unified behavior of soot production and radiative heat transfer in ethylene, propane and butane axisymmetric laminar diffusion flames at different oxygen indices. Fuel 183:668–679. https://doi.org/10.1016/j.fuel.2016.06.126
Liu Y, Cheng X, Qin L, Wang X, Yao J, Wu H (2020) Experimental investigation on soot formation characteristics of n-heptane/butanol isomers blends in laminar diffusion flames. Energy 211:118714. https://doi.org/10.1016/j.energy.2020.118714
Cheng X, Li Y, Xu Y, Liu Y, Wang B (2021) Study of effects of ammonia addition on soot formation characteristics in n-heptane co-flow laminar diffusion flames. Combust Flame. https://doi.org/10.1016/j.combustflame.2021.111683
Brunton SL, Kutz JN (2019) Data-driven science and engineering: machine learning, dynamical systems, and control. Cambridge University Press, Cambridge
Brunton SL, Noack BR, Koumoutsakos P (2020) Machine learning for fluid mechanics. Annu Rev Fluid Mech 52(1):477–508. https://doi.org/10.1146/annurev-fluid-010719-060214
LeCun Y, Bengio Y, Hinton G (2015) Deep learning. Nature 521:436–444. https://doi.org/10.1038/nature14539
Pyta L, Abel D (2017) Online model adaption of reduced order models for fluid flows. IFAC-PapersOnLine 50(1):11138–11143. https://doi.org/10.1016/j.ifacol.2017.08.1006
Xiao X, Fang F, Buchan AG, Pain CC, Navon IM, Muggeridge A (2015) Non-intrusive reduced order modeling of the Navier–Stokes equations. Comput Methods Appl Mech Eng 293:522–541. https://doi.org/10.1016/j.cma.2015.05.015
Angra S, Ahuja S (2017) Machine learning and its applications: a review. In: Proceedings of the 2017 international conference on big data analytics and computational intelligence, ICBDACI 2017, pp 57–60. https://doi.org/10.1109/ICBDACI.2017.8070809
Sun H, Burton HV, Huang H (2021) Machine learning applications for building structural design and performance assessment: state-of-the-art review. J Build Eng 33:101816. https://doi.org/10.1016/J.JOBE.2020.101816
Gogas P, Papadimitriou T (2021) Machine learning in economics and finance. Comput Econ 57:1–4. https://doi.org/10.1007/S10614-021-10094-W
Libbrecht MW, Noble WS (2015) Machine learning applications in genetics and genomics. Nat Rev Genet 16:321–332. https://doi.org/10.1038/nrg3920
Sharma R, Kamble SS, Gunasekaran A, Kumar V, Kumar A (2020) A systematic literature review on machine learning applications for sustainable agriculture supply chain performance. Comput Oper Res 119:104926. https://doi.org/10.1016/J.COR.2020.104926
Bikmukhametov T, Jäschke J (2020) Combining machine learning and process engineering physics toward enhanced accuracy and explainability of data-driven models. Comput Chem Eng 138:106834. https://doi.org/10.1016/J.COMPCHEMENG.2020.106834
Rai R, Sahu CK (2020) Driven by data or derived through physics? a review of hybrid physics guided machine learning techniques with cyber-physical system (CPS) focus. IEEE Access 8:71050–71073. https://doi.org/10.1109/ACCESS.2020.2987324
Zhao X, Shirvan K, Salko RK, Guo F (2020) On the prediction of critical heat flux using a physics-informed machine learning-aided framework. Appl Therm Eng 164:114540. https://doi.org/10.1016/J.APPLTHERMALENG.2019.114540
Kalogirou SA (2003) Artificial intelligence for the modeling and control of combustion processes: a review. Prog Energy Combust Sci 29(6):515–566. https://doi.org/10.1016/S0360-1285(03)00058-3
Chakravarthy SR, Rowan SL, Celik IB, Gutierrez AD, Escobar Vargas J (2015) A reduced order model for the design of oxy-coal combustion systems. J Combust 2015(943568):1–9. https://doi.org/10.1155/2015/943568
Wang Q, Hesthaven JS, Ray D (2019) Non-intrusive reduced order modeling of unsteady flows using artificial neural networks with application to a combustion problem. J Comput Phys 384:289–307. https://doi.org/10.1016/j.jcp.2019.01.031
Aversano G, Ferrarotti M, Parente A (2021) Digital twin of a combustion furnace operating in flameless conditions: reduced-order model development from CFD simulations. Proc Combust Inst 38(4):5373–5381. https://doi.org/10.1016/j.proci.2020.06.045
Da Costa Ramos L, Di Meglio F, Figueira da Silva LF, Morgenthaler V (2020) Reduced order model of laminar premixed inverted conical flames. In: AIAA SciTech Forum, Orlando, USA. https://doi.org/10.2514/6.2020-0416
Alomar A, Nicole A, Sipp D, Rialland V, Vuillot F (2020) Reduced-order model of a reacting, turbulent supersonic jet based on proper orthogonal decomposition. Theor Comput Fluid Dyn 34:49–77. https://doi.org/10.1007/s00162-019-00513-y
McQuarrie SA, Huang C, Willcox KE (2021) Data-driven reduced-order models via regularized operator inference for a single-injector combustion process. J R Soc N Z 51(2):194–211. https://doi.org/10.1080/03036758.2020.1863237
Swischuk R, Kramer B, Huang C, Willcox K (2020) Learning physics-based reduced-order models for a single-injector combustion process. AIAA J 58(6):2658–2672. https://doi.org/10.2514/1.J058943
Junqueira NL, Figueira da Silva L, da Costa Ramos L, de Paula IB (2021) The influence of the learning data on the reduced order model of laminar non-premixed flames. In: Proceedings of the 26th ABCM international congress of mechanical engineering, online. https://doi.org/10.26678/abcm.cobem2021.cob2021-0110. hal-03357849
Law CK (2006) Combustion physics. Cambridge University Press, Cambridge, pp 1–722
Chi C, Janiga G, Thévenin D (2021) On-the-fly artificial neural network for chemical kinetics in direct numerical simulations of premixed combustion. Combust Flame 226:467–477. https://doi.org/10.1016/j.combustflame.2020.12.038
Sharma AJ, Johnson RF, Kessler DA, Moses A (2020) Deep learning for scalable chemical kinetics. In: AIAA Scitech forum, Orlando, Florida. https://doi.org/10.2514/6.2020-0181
Zhao F, Yang W, Yu W (2020) A progress review of practical soot modeling development in diesel engine combustion. J Traffic Transp Eng (Engl Ed) 7(3):269–281. https://doi.org/10.1016/j.jtte.2020.04.002. (Special Issue: Clean Alternative Fuels for Transport Vehicles)
Liu F, Hua Y, Wu H, Lee C-F, He X (2018) An experimental study on soot distribution characteristics of ethanol-gasoline blends in laminar diffusion flames. J Energy Inst 91(6):997–1008. https://doi.org/10.1016/j.joei.2017.07.008
Incropera FP, Dewitt DP, Bergman TL, Lavine AS (2007) Fundamentals of heat and mass transfer, 6th edn. Wiley, New York, pp 1–997
De Castro RR, Figueira da Silva LF (2019) Experimental study of soot volume fraction and temperatue of laminar non-premixed ethylene-air flames. In: 25th ABCM international congress of mechanical engineering, Minas Gerais, Brazil. https://doi.org/10.26678/ABCM.COBEM2019.COB2019-0468
Poinsot T, Veynante D (2005) Theoretical and numerical combustion, 2nd edn. Edwards, Philadelphia, pp 1–522
Turns SR (2006) An introduction to combustion: concepts and applications. McGraw-Hill, New York, pp 1–676
Kazakov A, Frenklach M (1984) Reduced reaction sets based on GRI-Mech 1.2. The Combustion Laboratory at the University of California, Berkeley. http://combustion.berkeley.edu/drm/. Accessed Jan 2022
da Costa Ramos L (2021) Numerical study of an unstable premixed laminar flame and numerical Luenberger observers. Thesis, Université Paris sciences et lettres (2021). https://pastel.archives-ouvertes.fr/tel-03417236
da Costa Ramos L, da Silva LFF, Meglio FD, Morgenthaler V (2022) modeling of pulsating inverted conical flames: a numerical instability analysis. Combust Theor Model 26(2):260–288. https://doi.org/10.1080/13647830.2021.2011961
Young TR, Boris JP (1977) A numerical technique for solving stiff ordinary differential equations associated with the chemical kinetics of reactive-flow problems. J Phys Chem 81:2424–2427. https://doi.org/10.1021/j100540a018
ANSYS: Ansys Fluent 12.0 theory guide. ANSYS. https://www.afs.enea.it/project/neptunius/docs/fluent/html/th/node1.htm. Accessed 10 Oct 2021 (2009)
García AM, Rendon MA, Amell AA (2020) Combustion model evaluation in a CFD simulation of a radiant-tube burner. Fuel 276(25):118013. https://doi.org/10.1016/j.fuel.2020.118013
Hiremath V, Ren Z, Pope SB (2011) Combined dimension reduction and tabulation strategy using ISAT-RCCE-GALI for the efficient implementation of combustion chemistry. Combust Flame 158(11):2113–2127. https://doi.org/10.1016/j.combustflame.2011.04.010
Cunha A Jr, Figueira da Silva LF (2014) Assessment of a transient homogeneous reactor through in situ adaptive tabulation. J Braz Soc Mech Sci Eng 36:377–391. https://doi.org/10.1007/s40430-013-0080-4
Cunha A Jr, Figueira da Silva LF (2021) Crflowlib—chemically reacting flow library. Softw Impacts 11:100206. https://doi.org/10.1016/j.simpa.2021.100206
Celis C, Figueira da Silva LF (2016) Computational assessment of methane-air reduced chemical kinetic mechanisms for soot production studies. J Braz Soc Mech Sci Eng 36:2225–2244. https://doi.org/10.1007/s40430-016-0494-x
Marrocu M, Ambrosi D (1999) Mesh adaptation strategies for shallow water flow. Int J Numer Methods Fluids 31:497–512. https://doi.org/10.1002/(SICI)1097-0363(19990930)31:2
Kallinderis Y, Vijayan P (1993) Adaptive refinement-coarsening scheme for three-dimensional unstructured meshes. AIAA J 31(8):1440–1447. https://doi.org/10.2514/3.11793
Walter MAT, Abdu AAQ, Figueira da Silva LF, Azevedo JLF (2005) Evaluation of adaptive mesh refinement and coarsening for the computation of compressible flows on unstructured meshes. Int J Numer Methods Fluids 49:999–1014. https://doi.org/10.1002/fld.1037
Luboz V, Bailet M, Grivot CB, Rochette M, Diot B, Bucki M, Payan Y (2018) Personalized modeling for real-time pressure ulcer prevention in sitting posture. J Tissue Viability 31:54–58. https://doi.org/10.1016/j.jtv.2017.06.002
Trefethen DLN (1997) Bau: numerical linear algebra, 1st edn. Society for Industrial and Applied Mathematics, Philadelphia
Viana FAC, Haftka RT, Steffen V (2009) Multiple surrogates: how cross-validation errors can help us to obtain the best predictor. Struct Multidiscip Optim 39:439–457. https://doi.org/10.1007/s00158-008-0338-0
Ben Salem M, Roustant O, Gamboa F, Tomaso L (2017) Universal prediction distribution for surrogate models. SIAM/ASA J Uncertain Quantif 5:1086–1109. https://doi.org/10.1137/15M1053529
Wang S, Jian G, Xiao J, Wen J, Zhang Z (2017) Optimization investigation on configuration parameters of spiral-wound heat exchanger using genetic aggregation response surface and multi-objective genetic algorithm. Appl Therm Eng 119:603–609. https://doi.org/10.1016/j.applthermaleng.2017.03.100
Ostertagová E (2012) modeling using polynomial regression. Procedia Eng 48:500–506. https://doi.org/10.1016/j.proeng.2012.09.545
Aversano G, D’Alessio G, Coussement A, Contino F, Parente A (2021) Combination of polynomial chaos and kriging for reduced-order model of reacting flow applications. Results Eng 10:100223. https://doi.org/10.1016/j.rineng.2021.100223
Smola AJ, Schölkopf B (2004) A tutorial on support vector regression. Stat Comput 14:199–222. https://doi.org/10.1023/B:STCO.0000035301.49549.88
Lancaster P, Salkauskas K (1981) Surfaces generated by moving least squares methods. Math Comput 37(155):141–158. https://doi.org/10.1090/S0025-5718-1981-0616367-1
Cano J-R, Gutiérrez PA, Krawczyk B, Woźniak M, García S (2019) Monotonic classification: an overview on algorithms, performance measures and data sets. Neurocomputing 341:168–182. https://doi.org/10.1016/j.neucom.2019.02.024
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Nicole Lopes Junqueira and Luís Fernando Figueira da Silva received funding from Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - Brasil (CAPES) - Finance Code 001. Part of this work was deveped while Louise da C. Ramos received funding from the European Union’s Horizon 2020 research and innovation program under Grant Agreement nr 766264.
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all authors contributed to the study conception and design. The first draft of the manuscript was written by NLJ, L da CR and LFF da S and all authors commented on previous versions of the manuscript. All authors read and approved the final manuscript.
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Lopes Junqueira, N., da Costa Ramos, L. & Figueira da Silva, L.F. Reduced order model of diffusion flames based on multi-scale data from detailed CFD: the impact of preprocessing. J Braz. Soc. Mech. Sci. Eng. 46, 215 (2024). https://doi.org/10.1007/s40430-024-04749-6
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DOI: https://doi.org/10.1007/s40430-024-04749-6