A skeletal n-butane mechanism with integrated simplification method
| Autor: | Liqiao Jiang, Daiqing Zhao, Xiaohan Wang, Jiepeng Huo, Fan Li, Haolin Yang |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Materials science
Laminar flame speed 020209 energy Thermodynamics Butane 02 engineering and technology Combustion Chemical reaction law.invention Mechanism (engineering) Ignition system chemistry.chemical_compound 020401 chemical engineering chemistry law 0202 electrical engineering electronic engineering information engineering Range (statistics) 0204 chemical engineering Equivalence (measure theory) |
| Zdroj: | Journal of the Energy Institute. 93:1559-1570 |
| ISSN: | 1743-9671 |
| DOI: | 10.1016/j.joei.2020.01.018 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect