A skeletal n-butane mechanism with integrated simplification method |
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| Affiliation: | 1. College of Energy and Power Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016, China;2. Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou, 510640, China;3. Key Laboratory of Renewable Energy, Chinese Academy of Sciences, Guangzhou, 510640, China;4. Guangdong Provincial Key Laboratory of New and Renewable Energy Research and Development, Guangzhou, 510640, China;5. University of Chinese Academy of Sciences, Beijing, 100049, China;1. Faculty of Chemical and Process Engineering Technology, College of Engineering Technology, Universiti Malaysia Pahang, Lebuhraya Tun Razak, 26300, Gambang, Kuantan, Pahang, Malaysia;2. Faculty of Chemical Engineering, Industrial University of Ho Chi Minh City, 12 Nguyen Van Bao St, Go Vap, Ho Chi Minh City, 7000, Viet Nam;3. Institute of Research and Development, Duy Tan University, Da Nang, 550000, Viet Nam;4. Center of Excellence for Green Energy and Environmental Nanomaterials (CE@GrEEN), Nguyen Tat Thanh University, 300A Nguyen Tat Thanh, District 4, Ho Chi Minh City, 755414, Viet Nam;5. Department of Electrical and Electronic Information Engineering, Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku, Toyohashi, Aichi, 441-8580, Japan;6. Institute of Chemical Technology, Vietnam Academy of Science and Technology, 1 Mac Dinh Chi Str., Dist.1, Ho Chi Minh City, Viet Nam;7. Department of Petroleum and Mining Engineering, Jashore University of Science and Technology, Jashore, 7408, Bangladesh;8. Faculty of Civil Engineering Technology, Universiti Malaysia Pahang, 26300, Gambang, Malaysia;9. Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, 980-8577, Japan;10. Department of Chemical and Biological Engineering, University of Saskatchewan, Saskatoon, Saskatchewan, Canada;1. State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body, Hunan University, Changsha 410082, China;2. College of Vehicle Engineering, Hunan Industry Polytechnic, Changsha 410012, China;3. Mechanical and Mechatronics Engineering, University of Waterloo, Waterloo N2L 3G1, Canada;1. MIIT Key Laboratory of Thermal Control of Electronic Equipment, School of Energy and Power Engineering, Nanjing University of Science and Technology, Nanjing, 210094, PR China;2. Advanced Combustion Laboratory, School of Energy and Power Engineering, Nanjing University of Science and Technology, Nanjing, 210094, PR China |
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| Abstract: | A new skeletal mechanism of n-butane is developed for describing its ignition and combustion characteristics applicable over a wide range of conditions: initial temperature 690–1430 K, pressure 1–30 atm, and equivalence ratio 0.5–2.0. Starting with a detailed chemical reaction kinetic model of 230 species and 1328 reactions (Healy et al., Combust. Flame, 2010), the directed relation graph method is applied as the first step to derive a semi-detailed mechanism with 134 species. Then, the reaction path analysis in conjunction with temperature sensitivity analysis is used to remove the redundant species and reaction paths simultaneously under the condition of low-temperature and moderate-to-high temperatures, respectively. Finally, a skeletal n-butane mechanism consisting of 86 species and 373 reactions can be obtained. Mechanism validation indicates that the new developed skeletal mechanism is in good agreement with the detailed mechanism in predicting the global ignition and combustion characteristics. The new skeletal mechanism is further validated using extensive available literature data including rapid pressure machine ignition delay time, shock-tube ignition delay time, laminar flame speed, and jet-stirred reaction oxidation, covering a large range of temperatures, pressures, and equivalence ratios. The comparison results demonstrate that a satisfactory agreement between predictions and experimental measurements is achieved. |
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| Keywords: | n-Butane fuel Skeletal mechanism Directed relation graph method Reaction path analysis Sensitivity analysis |
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