Numerical investigation on the laminar combustion characteristics of primary reference fuel: the effects of elevated temperatures and pressures
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Tao Jin
Abstract
The one-dimensional premixed laminar freely propagating flame was used to numerically simulate the laminar combustion characteristics of primary reference fuel (PRF). The equivalence ratios are set as 0.7–1.5 at initial temperatures of 298, 358, and 403 K, initial pressures of 1, 2, and 5 atm. Laminar burning velocity (LBV), adiabatic flame temperature (AFT) and mole fractions of H, CO, CO2, C2H4 at Φ = 1.0 are investigated. Meanwhile, temperature sensitivity, rate of production (ROP) and reaction pathway are analyzed. The results show that LBV and AFT decrease with n-heptane doping ratios increasing. With the increase of initial temperatures, the LBV and AFT increase. With the increase of initial pressures, the LBV decreases, while AFT increases slightly. Through temperature sensitivity analysis, it can be found that R1 H + O2 ⇔ O + OH and R97 OH + CO⇔ H + CO2 are main exothermic reactions. R12 H + OH + M ⇔ H2O + M and R56 H + CH3(+M) ⇔ CH4(+M) are major endothermic reactions. n-Heptane is decomposed into C2H4 and C2H3, and iso-octane is decomposed into CH3, CH3O, and CH2O. These small molecule species are further oxidized to generate HCO, which is finally changed into CO2.
Funding source: National Natural Science Foundation of China
Award Identifier / Grant number: 52176095
Funding source: Anhui Provincial Natural Science Foundation
Award Identifier / Grant number: 2008085J25
Award Identifier / Grant number: KJ2020ZD29
Funding source: Open Project of State Key Laboratory of Clean Energy Utilization, Zhejiang University
Award Identifier / Grant number: ZJU-CEU2020001
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Author contributions: Tao Jin: Software, Data curation, Writing – original draft. Jicheng Shi: Data curation, Writing-Review & Editing. Wenlong Dong: Software, Validation. Jialong Hu: Software, Validation. Huaqiang Chu: Resources, Funding acquisition, Project administration, Method, Writing – review & editing. All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
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Research funding: This work was supported by National Natural Science Foundation of China (No. 52176095), Anhui Provincial Natural Science Foundation (No. 2008085J25), Natural Science Research Project of Colleges and Universities in Anhui Province (KJ2020ZD29), State Key Laboratory of Engines in Tianjin University (No. K2020-11), Open Project of State Key Laboratory of Clean Energy Utilization, Zhejiang University (No. ZJU-CEU2020001).
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Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
References
Aich, S., B. K. Nandi, and S. Bhattacharya. 2021. “Combustion Characteristics of High Ash Indian Thermal, Heat Affected Coal and Their Blends.” International Journal of Coal Science & Technology 8: 1078–87, https://doi.org/10.1007/s40789-021-00419-3.Search in Google Scholar
Battin-Leclerc, F. 2008. “Detailed Chemical Kinetic Models for the Low-Temperature Combustion of Hydrocarbons with Application to Gasoline and Diesel Fuel Surrogates.” Progress in Energy and Combustion Science 34 (4): 440–98, doi:https://doi.org/10.1016/j.pecs.2007.10.002.Search in Google Scholar
Biet, J., M. Hakka, V. Warth, P. Glaude, and F. Battin-Leclerc. 2008. “Experimental and Modeling Study of the Low-Temperature Oxidation of Large Alkanes.” Energy Fuels 22 (4): 2258–69, doi:https://doi.org/10.1021/ef8000746.Search in Google Scholar
Bradley, D., R. Hicks, M. Lawes, C. G. W. Sheppard, and W. Woolley. 1998. “The Measurement of Laminar Burning Velocities and Markstein Numbers for Iso-octane-Air and Iso-octane-n-Heptane-Air Mixtures at Elevated Temperatures and Pressures in an Explosion Bomb.” Combustion and Flame 115 (1–2): 126–44, doi:https://doi.org/10.1016/s0010-2180(97)00349-0.Search in Google Scholar
Cai, L., and H. Pitsch. 2015. “Optimized Chemical Mechanism for Combustion of Gasoline Surrogate Fuels.” Combustion and Flame 162 (5): 1623–37, doi:https://doi.org/10.1016/j.combustflame.2014.11.018.Search in Google Scholar
Callahan, C., T. Held, F. Dryer, R. Minetti, M. Ribaucour, L.R. Sochet, T. Faravelli, P. Gaffuri, and E. Rani. 1996. “Experimental Data and Kinetic Modeling of Primary Reference Fuel Mixtures.” Symposium (International) on Combustion 26 (1): 739–46, doi:https://doi.org/10.1016/s0082-0784(96)80282-7.Search in Google Scholar
Chang, L., T. Chen, B. Yan, and X. Xiao. 2022. “Reaction Characteristics and Kinetics of Gallium in Chlorination Roasting of Copper Tailings Using Calcium Chloride.” Rare Metals 41 (3): 1063–70, doi:https://doi.org/10.1007/s12598-015-0499-0.Search in Google Scholar
Chaos, M., A. Kazakov, Z. Zhao, and F. L. Dryer. 2007. “A High-Temperature Chemical Kinetic Model for Primary Reference Fuels.” International Journal of Chemical Kinetics 39 (7): 399–414, doi:https://doi.org/10.1002/kin.20253.Search in Google Scholar
Chu, H., L. Xiang, X. Nie, Y. Ya, M. Gu, and J. E. 2020. “Laminar Burning Velocity and Pollutant Emissions of the Gasoline Components and its Surrogate Fuels: A Review.” Fuel 269: 117451, doi:https://doi.org/10.1016/j.fuel.2020.117451.Search in Google Scholar
Curran, H., W. Pitz, C. Westbrook, G. V. Callahan, and F. L. Dryer. 1998. “Oxidation of Automotive Primary Reference Fuels at Elevated Pressures.” Symposium (International) on Combustion 27 (1): 379–87, doi:https://doi.org/10.1016/s0082-0784(98)80426-8.Search in Google Scholar
Dagaut, P., M. Reuillon, and M. Cathonnet. 1993. “High Pressure Oxidation of Liquid Fuels From Low to High Temperature. 1. n-Heptane and iso-Octane.” Combustion Science and Technology 95 (1–6): 233–60, doi:https://doi.org/10.1080/00102209408935336.Search in Google Scholar
Davis, S., and C. Law. 1998. “Laminar Flame Speeds and Oxidation Kinetics of iso-Octane-Air and n-Heptane-Air Flames.” Symposium (International) on Combustion 27 (1): 521–7, doi:https://doi.org/10.1016/s0082-0784(98)80442-6.Search in Google Scholar
Dirrenberger, P., P. Glaude, R. Bounaceur, H. Le Gall, A. Pires da Cruz, A. A. Konnov, and F. Battin-Leclerc. 2014. “Laminar Burning Velocity of Gasolines with Addition of Ethanol.” Fuel 115: 162–9, doi:https://doi.org/10.1016/j.fuel.2013.07.015.Search in Google Scholar
Frassoldati, A., R. Grana, A. Cuoci, T. Faravelli, E. Ranzi. 2010. “A Wide Range Kinetic Modelling Study of Laminar Flame Speeds of Reference Fuels and Their Mixtures.” In International Conference on Processes and Technologies for Sustainable Energy, 1–6. Ischia: International Flame Research Foundation.Search in Google Scholar
Glaude, P., V. Conraud, R. Fournet, F. Battin-Leclerc, G. M. Come, G. Scacchi, P. Dagaut, and M. Cathonnet. 2002. “Modeling the Oxidation of Mixtures of Primary Reference Automobile Fuels.” Energy Fuels 16 (5): 1186–95, doi:https://doi.org/10.1021/ef020025e.Search in Google Scholar
Hu, E., Z. Xu, Z. Gao, J. Xu, and Z. Huang. 2019a. “Experimental and Numerical Study on Laminar Burning Velocity of Gasoline and Gasoline Surrogates.” Fuel 256: 115933, https://doi.org/10.1016/j.fuel.2019.115933.Search in Google Scholar
Hu, E., G. Yin, J. Ku, Z. Gao, and Z. Huang. 2019b. “Experimental and Kinetic Study of 2, 4, 4-Trimethyl-1-Pentene and iso-Octane in Laminar Flames.” Proceedings of the Combustion Institute 37: 1709–16, https://doi.org/10.1016/j.proci.2018.05.008.Search in Google Scholar
Huang, Y., C. Sung, and J. Eng. 2004. “Laminar Flame Speeds of Primary Reference Fuels and Reformer Gas Mixtures.” Combustion and Flame 139 (3): 239–51, doi:https://doi.org/10.1016/j.combustflame.2004.08.011.Search in Google Scholar
Jerzembeck, S., N. Peters, P. Pepiot-Desjardins, and H. Pitsch. 2009. “Laminar Burning Velocities at High Pressure for Primary Reference Fuels and Gasoline: Experimental and Numerical Investigation.” Combustion and Flame 156 (2): 292–301, doi:https://doi.org/10.1016/j.combustflame.2008.11.009.Search in Google Scholar
Jin, T., W. Dong, B. Qiu, C. Xu, Y. Liu, and H. Chu. 2022. “Effect of Ammonia on Laminar Combustion Characteristics of Methane-Air Flames at Elevated Pressures.” ACS Omega 7 (18): 15326–37, doi:https://doi.org/10.1021/acsomega.1c05938.Search in Google Scholar PubMed PubMed Central
Li, H., S. Prabhu, D. Miller, and N. P. Cernansky. 1995. “The Effects of Methanol and Ethanol on the Oxidation of a Primary Reference Fuel Blend in a Motored Engine.” SAE Transactions 95-06-82.10.4271/950682Search in Google Scholar
Lim, O., N. Sendoh, and N. Iida. 2004. “Experimental Study on HCCI Combustion Characteristics of n-Heptane and iso-Octane Fuel/Air Mixture by the Use of a Rapid Compression Machine.” SAE Technical Papers 2004-01-1968.10.4271/2004-01-1968Search in Google Scholar
Lv, X., W. Chen, Y. Hou, and Z. Huang. 2005. “Study on the Ignition, Combustion and Emissions of HCCI Combustion Engines Fueled with Primary Reference Fuels.” SAE Technical Paper 2005-01-0155 .Search in Google Scholar
Mannaa, O., M. Mansour, W. Roberts, and S. H. Chung. 2015. “Laminar Burning Velocities at Elevated Pressures for Gasoline and Gasoline Surrogates Associated with RON.” Combustion and Flame 162 (6): 2311–21, doi:https://doi.org/10.1016/j.combustflame.2015.01.004.Search in Google Scholar
Mehl, M., K. Zhang, S. Wagnon, G. Kukkadapu, C. K. Westbrook, W. J. Pitz, Y. Zhang, H. J. Curran, M. E. Rachidi, N. Atef, M. Sarathy, and A. Ahmed. 2017. “A Comprehensive Detailed Kinetic Mechanism for the Simulation of Transportation Fuels.” In 10th US National Combustion Meeting, 725343. College Park: Lawrence Livermore National Laboratory.Search in Google Scholar
Ren, F., H. Chu, L. Xiang, W. Han, and M. Gu. 2019. “Effect of Hydrogen Addition on the Laminar Premixed Combustion Characteristics the Main Components of Natural Gas.” Journal of the Energy Institute 92 (4): 1178–90, doi:https://doi.org/10.1016/j.joei.2018.05.011.Search in Google Scholar
Ren, F., L. Xiang, H. Chu, Y. Ya, W. Han, and X. Nie. 2020. “Numerical Investigation on the Effect of CO2 and Steam for the H2 Intermediate Formation and NOX Emission in Laminar Premixed Methane/Air Flames.” International Journal of Hydrogen Energy 45 (6): 3785–94, doi:https://doi.org/10.1016/j.ijhydene.2019.05.096.Search in Google Scholar
Sileghem, L., V. Alekseev, J. Vancoillie, K. M. Van Geem, E. J. K. Nilsson, S. Verhelst, and A. A. Konnov. 2013. “Laminar Burning Velocity of Gasoline and the Gasoline Surrogate Components iso-Octane, n-Heptane and Toluene.” Fuel 112: 355–65, doi:https://doi.org/10.1016/j.fuel.2013.05.049.Search in Google Scholar
Tian, G., R. Daniel, H. Li, H. Xu, S. Shuai, and P. Richards. 2010. “Laminar Burning Velocities of 2, 5-Dimethylfuran Compared with Ethanol and Gasoline.” Energy Fuels 24 (7): 3898–905, doi:https://doi.org/10.1021/ef100452c.Search in Google Scholar
Tsurushima, T. 2009. “A New Skeletal PRF Kinetic Model for HCCI Combustion.” Prog Combust Institute 32 (2): 2835–41, doi:https://doi.org/10.1016/j.proci.2008.06.018.Search in Google Scholar
Westbrook, C., J. Warnatz, and W. Pitz. 1989. “A Detailed Chemical Kinetic Reaction Mechanism for the Oxidation of iso-Octane and n-Heptane over an Extended Temperature Range and Its Application to Analysis of Engine Knock.” Symposium (International) on Combustion 22 (1): 893–901, doi:https://doi.org/10.1016/s0082-0784(89)80098-0.Search in Google Scholar
Zhang, Q., Z. Zheng, Z. He, and Y. Wang. 2011. “A Chemical Kinetic Model of PRF Oxidation for HCCI Engine II: Structure of a Skeletal Model.” Transactions of Chinese Society for Internal Combustion Engines 9 (1): 2133–8.10.1515/1542-6580.2527Search in Google Scholar
Zhao, Z., J. P. Conley, A. Kazakov, and F. L. Dryer. 2003. “Burning Velocities of Real Gasoline Fuel at 353 K and 500 K.” SAE Technical Paper 2003-01-3265.10.4271/2003-01-3265Search in Google Scholar
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Articles in the same Issue
- Frontmatter
- Articles
- Reinterpretation of the Geldart A powder classification based on Eulerian–Eulerian CFD simulation
- Evaluation of ion transport properties characterizing concentration polarization in membrane-solution system under different factors
- Effect of a new pattern of surface roughness on flow field and erosion rate of a cyclone
- The influence of central coke charging mode on the burden surface shape and distribution of a blast furnace
- CFD-based approach to design the heart-shaped micromixer with obstacles
- New insights into fluid mixing in micromixers with fractal wall structure
- Improved degradation of tetracycline antibiotic in electrochemical advanced oxidation processes (EAOPs): bioassay using bacteria and identification of intermediate compounds
- Numerical investigation on the laminar combustion characteristics of primary reference fuel: the effects of elevated temperatures and pressures
- Analysis and optimization of feed liquid flow characteristics of distributor in scraping film molecular distillation equipment
