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Development and validation of a reduced MF/biodiesel mechanism for diesel engine application

2-methylfuran (MF) is widely used as a surrogate fuel for internal combustion engines. However, the chemical kinetics model of MF for engine combustion simulations remains scarce. In this paper, a reduced MF/biodiesel mechanism consisting of 82 species and 226 reactions was proposed and used to simulate the combustion process of MF and biodiesel dual-fuel diesel engine. First, a detailed chemical reaction mechanism of MF was selected and then mechanism reduction methods were used to reduce the detailed mechanism under engine conditions. Second, the reduced MF mechanism was coupled with a biodiesel mechanism to form a four-component chemistry mechanism, consisting of MD, MD9D, n-heptane and MF. Third, the combined mechanism was optimized by using rate of production analysis and sensitivity analysis. Finally, the proposed four-component mechanism was verified by comparing the calculated values of ignition delay and species concentrations with the experimental values. Meanwhile, a new dual-fuel diesel engine test was carried out, and the experiments were used to evaluate the reliability of the combination mechanism. Overall, the simulated results of the proposed four-component mechanism in this paper are basically consistent with the experimental results.
PAPER REVISED: 2022-06-08
PAPER ACCEPTED: 2022-07-04
  1. Venkanna B.K., Reddy C.V., Biodiesel production and optimization from Calophyllum inophyllum linn oil (honne oil)--a three stage method, Bioresource Technology, 100 (2009), 21, pp. 5122-5125.
  2. Wang H., et al., Development of an n-heptane-n-butanol-PAH mechanism and its application for combustion and soot prediction, Combustion & Flame, 160 (2013), 3, pp. 504-519.
  3. Vijay Kumar M., et al., Experimental investigation of the combustion characteristics of Mahua oil biodiesel-diesel blend using a DI diesel engine modified with EGR and nozzle hole orifice diameter, Biofuel Research Journal, 5 (2018), 3, pp. 863-871.
  4. Román-Leshkov Y., et al., Production of dimethylfuran for liquid fuels from biomass-derived carbohydrates, Nature, 447 (2007), pp. 982-985.
  5. Tran L.S., et al., Progress in detailed kinetic modeling of the combustion of oxygenated components of biofuels, Energy, 43(2012), 1, pp. 4-18.
  6. Lange J., et al., Furfural—a promising platform for lignocellulosic biofuels, ChemSusChem, 5 (2012), 1, pp. 150-166.
  7. Wang C., et al., Combustion characteristics and emissions of 2-methylfuran compared to 2,5-dimethylfuran, gasoline and ethanol in a DISI engine, Fuel, 103 (2013), pp. 200-211.
  8. Thewes M., et al., Analysis of the impact of 2-methylfuran on mixture formation and combustion in a direct-injection spark-ignition engine, Energy & Fuels, 25 (2011), 12, pp. 5549-5561.
  9. Zheng Z., et al., Experimental study on the combustion and emissions fueling biodiesel/n-butanol, biodiesel/ethanol and biodiesel/2,5-dimethylfuran on a diesel engine, Energy, 115 (2016), pp. 539-549.
  10. Liu X., et al., Development of a reduced toluene reference fuel (TRF)-2,5-dimethylfuran-polycyclic aromatic hydrocarbon (PAH) mechanism for engine applications, Combustion & Flame, 165 (2016), pp. 453-465.
  11. Alexandrino K., Comprehensive review of the impact of 2,5-dimethylfuran and 2-methylfuran on soot emissions: experiments in diesel engines and at laboratory-scale, Energy & Fuels, 34 (2020), 6, pp. 6598-6623.
  12. Tran L.S., et al., Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part II: 2-Methylfuran, Combustion and Flame, 161 (2014), 3, pp. 780-797.
  13. Feng D., et al., Engine combustion and emissions characteristics of 2-methylfuran and gasoline blend fuels, Transactions of Csice, 32 (2014), 4, pp. 340-344.
  14. Sivasubramanian H., Effect of ignition delay (ID) on performance, emission and combustion characteristics of 2-methyl furan-unleaded gasoline blends in a MPFI SI engine, Alexandria Engineering Journal, 57 (2018), 1, pp. 499-507.
  15. Xiao H., et al., Combustion performance and emissions of 2-methylfuran diesel blends in a diesel engine, Fuel, 175 (2016), pp. 157-163.
  16. Xiao H., et al., Effects of pilot injection on combustion and emissions characteristics using 2-methylfuran/diesel blends in a diesel engine, Thermal Science, 24 (2020), 1, pp. 1-11.
  17. Xiao H., et al., Combustion performance and pollutant emissions analysis of a diesel engine fueled with biodiesel and its blend with 2-methylfuran, Fuel, 237 (2019), pp. 1050-1056.
  18. Liu H., et al., Combustion characteristics and engine performance of 2-methylfuran compared to gasoline and ethanol in a direct injection spark ignition engine, Fuel, 299 (2021), 120825
  19. Somers K.P., et al., A comprehensive experimental and detailed chemical kinetic modelling study of 2,5-dimethylfuran pyrolysis and oxidation, Combust and Flame, 160 (2013), 11, pp. 2291-2318.
  20. Somers K.P., et al., The pyrolysis of 2-methylfuran: a quantum chemical, statistical rate theory and kinetic modelling study, Physical Chemistry Chemical Physics, 16 (2014), 11, pp. 5349-5367.
  21. Somers K.P., et al., A high temperature and atmospheric pressure experimental and detailed chemical kinetic modelling study of 2-methyl furan oxidation, Proceedings of the Combustion Institute, 34 (2013), 1, pp. 225-232.
  22. Brakora J.L., et al., Combustion model for biodiesel-fueled engine simulations using realistic chemistry and physical properties, SAE International Journal of Engines, 4 (2011), 1, pp. 931-947.
  23. Ciezki H.K., Adomeit G., Shock-tube investigation of self-ignition of n-heptane-air mixtures under engine relevant conditions, Combustion & Flame, 93 (1993), 4, pp. 421-433.
  24. Hartmann M., et al., Auto-ignition of toluene-doped n-heptane and iso-octane/air mixtures: High-pressure shock-tube experiments and kinetics modeling, Combustion & Flame, 158 (2011), 1, pp. 172-178.
  25. Wang W., Oehlschlaeger M.A., A shock tube study of methyl decanoate autoignition at elevated pressures, Combustion and Flame, 159 (2012), 2, pp. 476-481.
  26. Wang W., et al., Comparative study of the autoignition of methyl decenoates, unsaturated biodiesel fuel surrogates, Energy & Fuels, 27 (2013), 9, pp. 5527-5532.
  27. Eldeeb M.A., Akih-Kumgeh B., Reactivity trends in furan and alkyl furan combustion, Energy & Fuels, 28 (2014), 10, pp. 6618-6626.
  28. Seidel L., et al., Comprehensive kinetic modeling and experimental study of a fuel-rich, premixed n-heptane flame, Combustion and Flame, 162 (2015), 5, pp. 2045-2058.
  29. Gerasimov I.E., et al., Experimental and numerical study of the structure of a premixed methyl decanoate/Oxygen/Argon Flame, Combustion Explosion and Shock Waves, 51 (2015), 3, pp. 285-292.
  30. Wei M., et al., Effects of injection timing on combustion and emissions in a diesel engine fueled with 2,5-dimethylfuran-diesel blends, Fuel, 192 (2017), pp. 208-217.
  31. Li S., et al., Effects of fuel properties on combustion and pollutant emissions of a low temperature combustion mode diesel engine, Fuel, 267 (2020), 117123.
  32. Senecal P, Richards K, Pomraning E. CONVERGE (Version 2.4) Manual, Convergent Science Inc., Madison, WI, 2018.
  33. Han Z.Y., Reitz R.D., Turbulence modeling of internal combustion engines using RNG k-ε; models, Combustion Science and Technology, 106 (1995), pp. 267-295.
  34. Babajimopoulos A., et al., A fully coupled computational fluid dynamics and multi-zone model with detailed chemical kinetics for the simulation of premixed charge compression ignition engines, International Journal of Engine Research, 6 (2005), 5, pp. 497-512.
  35. Amsden A.A., et al., KIVA-2: A computer program for chemically reactive flows with sprays, Nasa Sti/recon Technical Report N, 1989.
  36. Schmidt D.P., Rutland C.J., A new droplet collision algorithm, Journal of Computational Physics, 164 (2000), 1, pp. 62-80.
  37. Reitz R.D., Diwakar R., Structure of high-pressure fuel sprays, SAE Technical Paper, 870598.
  38. Reitz R,D,, Diwakar R., Effect of drop breakup on fuel sprays, SAE Technical Paper, 860469.
  39. Amsden A.A., KIVA-3V, Release2: Improvement to KIVA3V, Los Alamos National Laboratory report LA-UR-99-915, 1999.
  40. Han Z.Y., Reitz R.D., A temperature wall function formulation for variable-density turbulent flows with application to engine convective heat transfer modeling, International Journal of Heat and Mass Transfer, 40 (1997), 3, pp. 613-625.