A combustion mechanism reduction method based on entropy production analysis in fuel auto-ignition and laminar flames

References

• Y. Chang, M. Jia, Y. Li, Y. Liu, M. Xie, H. Wang, and R.D. Reitz, Development of a skeletal mechanism for diesel surrogate fuel by using a decoupling methodology, Combust. Flame 162 (2015), pp. 3785–3802.
   Web of Science ®Google Scholar
• X. Dong, Y. Chang, B. Niu, and M. Jia, Development of a practical reaction model of polycyclic aromatic hydrocarbon (PAH) formation and oxidation for diesel surrogate fuel, Fuel 267 (2020), pp. 117159.
   Web of Science ®Google Scholar
• L. Zhang, K. Yang, R. Zhao, M. Chen, Y. Ying, and D. Liu, Nanostructure and reactivity of soot from biofuel 2,5-dimethylfuran pyrolysis with CO2 additions, Front. Energy 16 (2022), pp. 292–306.
   Web of Science ®Google Scholar
• Y. Chang, M. Jia, B. Niu, X. Dong, and P. Wang, Reduction of large-scale chemical mechanisms using global sensitivity analysis on reaction class/sub-mechanism, Combust. Flame 212 (2020), pp. 355–366.
   Web of Science ®Google Scholar
• P. Wang, Y. Chang, B. Niu, X. Dong, and M. Jia, Influence of the functional group of fuels on the construction of skeletal chemical mechanisms: A case study of 1-hexane, 1-hexene, and 1-hexanol, Combust. Flame 221 (2020), pp. 120–135.
   Web of Science ®Google Scholar
• B. Niu, M. Jia, Y. Chang, H. Duan, X. Dong, and P. Wang, Construction of reduced oxidation mechanisms of polyoxymethylene dimethyl ethers (PODE1–6) with consistent structure using decoupling methodology and reaction rate rule, Combust. Flame 232 (2021), pp. 111534.
   Web of Science ®Google Scholar
• J. Li, H. Liu, X. Liu, Y. Ye, H. Wang, X. Wang, H. Zhao, and M. Yao, Development of a simplified n-heptane/methane model for high-pressure direct-injection natural gas marine engines, Front. Energy 15 (2021), pp. 405–420.
   Web of Science ®Google Scholar
• W. Wang and X. Gou, A mechanism reduction method integrating path flux analysis with multi generations and sensitivity analysis, Combust. Sci. Technol. 189 (2017), pp. 24–42.
   Web of Science ®Google Scholar
• J. Wang, Y. Li, M. Liu, and L. Ji, Statistical degree screening method for combustion mechanism reduction, Combust. Flame 230 (2021), pp. 111440.
   Web of Science ®Google Scholar
• T. Lu and C.K. Law, A directed relation graph method for mechanism reduction, Proc. Combust. Inst. 30 (2005), pp. 1333–1341.
   Web of Science ®Google Scholar
• T. Turányi, Sensitivity analysis of complex kinetic systems tools and applications, J. Math. Chem. 5 (1990), pp. 203–248.
   Web of Science ®Google Scholar
• W. Sun, Z. Chen, X. Gou, and Y. Ju, A path flux analysis method for the reduction of detailed chemical kinetic mechanisms, Combust. Flame 157 (2010), pp. 1298–1307.
   Web of Science ®Google Scholar
• W. Han and X. Gou, Improved path flux analysis mechanism reduction method for high and low temperature oxidation of hydrocarbon fuels, Combust. Theor. Model 24 (2020), pp. 1090–1107.
   Web of Science ®Google Scholar
• B. Wang, S. Dong, Z. Jiang, W. Gao, Z. Wang, J. Li, C. Yang, Z. Wang, and X. Cheng, Development of a reduced chemical mechanism for ammonia/n-heptane blends, Fuel 338 (2023), pp. 127358.
   Web of Science ®Google Scholar
• F. Minuzzi and J.M. de Pinho, A new skeletal mechanism for ethanol using a modified implementation methodology based on directed relation graph (DRG) technique, J. Braz. Soc. Mech. Sci. Eng. 42 (2020), pp. 105.
   Web of Science ®Google Scholar
• T. Turányi, A.S. Tomlin, and M.J. Pilling, On the error of the quasi-steady-state approximation, J. Phys. Chem. 97 (1993), pp. 163–172.
   Web of Science ®Google Scholar
• M. Valorani, F. Creta, F. Donato, H.N. Najm, and D.A. Goussis, Skeletal mechanism generation and analysis for n-heptane with CSP, Proc. Combust. Inst. 31 (2007), pp. 483–490.
   Web of Science ®Google Scholar
• U. Maas and S.B. Pope, Simplifying chemical kinetics: Intrinsic low-dimensional manifolds in composition space, Combust. Flame 88 (1992), pp. 239–264.
   Web of Science ®Google Scholar
• T. Lu and C.K. Law, Toward accommodating realistic fuel chemistry in large-scale computations, Prog. Energy Combust. Sci. 35 (2009), pp. 192–215.
   Web of Science ®Google Scholar
• P. Pepiot-Desjardins and H. Pitsch, An automatic chemical lumping method for the reduction of large chemical kinetic mechanisms, Combust. Theor. Model 12 (2008), pp. 1089–1108.
   Web of Science ®Google Scholar
• A. Stagni, A. Cuoci, A. Frassoldati, T. Faravelli, and E. Ranzi, Lumping and reduction of detailed kinetic schemes: An effective coupling, Ind. Eng. Chem. Res. 53 (2014), pp. 9004–9016.
   Web of Science ®Google Scholar
• S.B. Pope, Small scales, many species and the manifold challenges of turbulent combustion, Proc. Combust. Inst. 34 (2013), pp. 1–31.
   Web of Science ®Google Scholar
• G.P. Beretta, J.C. Keck, M. Janbozorgi, and H. Metghalchi, The rate-controlled constrained-equilibrium approach to far-from-local-equilibrium thermodynamics, Entropy 14 (2012), pp. 92–130.
   Web of Science ®Google Scholar
• J.C. Keck, Rate-controlled constrained-equilibrium theory of chemical reactions in complex systems, Prog. Energy Combust. Sci. 16 (1990), pp. 125–154.
   Web of Science ®Google Scholar
• M. Kooshkbaghi, C.E. Frouzakis, K. Boulouchos, and I.V. Karlin, Entropy production analysis for mechanism reduction, Combust. Flame 161 (2014), pp. 1507–1515.
   Web of Science ®Google Scholar
• L. Acampora, M. Kooshkbaghi, C.E. Frouzakis, and F.S. Marra, Generalized entropy production analysis for mechanism reduction, Combust. Theor. Model 23 (2019), pp. 197–209.
   Web of Science ®Google Scholar
• K.K. Kuo, Principles of combustion, 2nd ed., John Wiley & Sons, Hoboken, New Jersey, 2005.
   Google Scholar
• E. Ranzi, A. Frassoldati, R. Grana, A. Cuoci, T. Faravelli, A.P. Kelley, and C.K. Law, Hierarchical and comparative kinetic modeling of laminar flame speeds of hydrocarbon and oxygenated fuels, Prog. Energy Combust. Sci. 38 (2012), pp. 468–501.
   Web of Science ®Google Scholar
• D.G. Goodwin, H.K. Moffat, I. Schoegl, R.L. Speth, and B.W. Weber, Cantera: An object-oriented software toolkit for chemical kinetics, thermodynamics, and transport processes. software Available at: https://www.cantera.org
   Google Scholar
• A. Emadi and M. Emami, Analysis of entropy generation in a hydrogen-enriched turbulent non-premixed flame, Int. J. Hydrogen Energy 38 (2013), pp. 5961–5973.
   Google Scholar
• Y. Liu, J. Zhang, D. Ju, L. Shi, and D. Han, Second-law thermodynamic analysis on non-premixed counterflow methane flames with hydrogen addition, J. Therm. Anal. Calorim. 139 (2019), pp. 2577–2583.
   Web of Science ®Google Scholar
• J. Zhang, Z. Huang, K. Min, and D. Han, Dilution, thermal, and chemical effects of carbon dioxide on the exergy destruction in n-heptane and Iso-octane autoignition processes: A numerical study, Energy Fuels 32 (2018), pp. 5559–5570.
   Web of Science ®Google Scholar
• J. Zhang, Z. Huang, and D. Han, Exergy losses in auto-ignition processes of DME and alcohol blends, Fuel 229 (2018), pp. 116–125.
   Web of Science ®Google Scholar
• Y. Liu, J. Zhang, D. Ju, Z. Huang, and D. Han, Analysis of exergy losses in laminar premixed flames of methane/hydrogen blends, Int. J. Hydrogen Energy 44 (2019), pp. 24043–24053.
   Web of Science ®Google Scholar
• D. Jiang, W. Yang, and J. Teng, Entropy generation analysis of fuel lean premixed CO/H2/air flames, Int. J. Hydrogen Energy 40 (2015), pp. 5210–5220.
   Web of Science ®Google Scholar
• K. Nishida, T. Takagi, and S. Kinoshita, Analysis of entropy generation and exergy loss during combustion, Proc. Combust. Inst. 29 (2002), pp. 869–874.
   Web of Science ®Google Scholar
• S.J. Lorentzen and I.S. Ertesvåg, Entropy generation in an opposed-flow laminar non-premixed flame—effects of using reduced and global chemical mechanisms for methane–air and syngas–air combustion, Fuel 345 (2023), pp. 128263.
   Web of Science ®Google Scholar
• T. Nagy and T. Turányi, Reduction of very large reaction mechanisms using methods based on simulation error minimization, Combust. Flame 156 (2009), pp. 417–428.
   Web of Science ®Google Scholar
• X. You, F.N. Egolfopoulos, and H. Wang, Detailed and simplified kinetic models of n-dodecane oxidation: The role of fuel cracking in aliphatic hydrocarbon combustion, Proc. Combust. Inst. 32 (2009), pp. 403–410.
   Web of Science ®Google Scholar
• S.S. Vasu, D.F. Davidson, Z. Hong, V. Vasudevan, and R.K. Hanson, n-Dodecane oxidation at high-pressures: Measurements of ignition delay times and OH concentration time-histories, Proc. Combust. Inst. 32 (2009), pp. 173–180.
   Web of Science ®Google Scholar
• E. Ranzi, A. Frassoldati, A. Stagni, M. Pelucchi, A. Cuoci, and T. Faravelli, Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived transportation fuels, Int. J. Chem. Kinet. 46 (2014), pp. 512–542.
   Web of Science ®Google Scholar