Systematic Reduction of the Detailed Kinetic Mechanism for the Combustion of n-Butane
A systematic approach for mechanism reduction was demonstrated to generate a skeletal and reduced mechanism for the oxidation of n-butane. First, a skeletal mechanism, including 89 species and 440 elementary reactions, was derived from a 230-species detailed mechanism using path flux analysis (PFA)....
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| Format: | Article |
| Language: | English |
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Wiley
2016-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2016/8153582 |
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| _version_ | 1832564327753711616 |
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| author | Chunhui Liu Zhengxing Zuo Huihua Feng |
| author_facet | Chunhui Liu Zhengxing Zuo Huihua Feng |
| author_sort | Chunhui Liu |
| collection | DOAJ |
| description | A systematic approach for mechanism reduction was demonstrated to generate a skeletal and reduced mechanism for the oxidation of n-butane. First, a skeletal mechanism, including 89 species and 440 elementary reactions, was derived from a 230-species detailed mechanism using path flux analysis (PFA). Then, the unimportant reactions were eliminated using the importance index defined in computational singular perturbation (CSP), resulting in a skeletal mechanism consisting of 89 species and 298 elementary reactions. Finally, 20 global quasi-steady-state species were identified using a CSP-based time-scale analysis, leading to a 69-species reduced mechanism. Validation of the 89-species skeletal and 69-species reduced mechanisms showed good agreement with the detailed mechanism for both the ignition delay time and the distribution of species concentration over a wide range of simulation conditions. |
| format | Article |
| id | doaj-art-5b1c71fad70c45f6882d2dbba4b78ba0 |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2016-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-5b1c71fad70c45f6882d2dbba4b78ba02025-02-03T01:11:17ZengWileyJournal of Chemistry2090-90632090-90712016-01-01201610.1155/2016/81535828153582Systematic Reduction of the Detailed Kinetic Mechanism for the Combustion of n-ButaneChunhui Liu0Zhengxing Zuo1Huihua Feng2School of Mechanical Engineering, Beijing Institute of Technology, Beijing 100081, ChinaSchool of Mechanical Engineering, Beijing Institute of Technology, Beijing 100081, ChinaSchool of Mechanical Engineering, Beijing Institute of Technology, Beijing 100081, ChinaA systematic approach for mechanism reduction was demonstrated to generate a skeletal and reduced mechanism for the oxidation of n-butane. First, a skeletal mechanism, including 89 species and 440 elementary reactions, was derived from a 230-species detailed mechanism using path flux analysis (PFA). Then, the unimportant reactions were eliminated using the importance index defined in computational singular perturbation (CSP), resulting in a skeletal mechanism consisting of 89 species and 298 elementary reactions. Finally, 20 global quasi-steady-state species were identified using a CSP-based time-scale analysis, leading to a 69-species reduced mechanism. Validation of the 89-species skeletal and 69-species reduced mechanisms showed good agreement with the detailed mechanism for both the ignition delay time and the distribution of species concentration over a wide range of simulation conditions.http://dx.doi.org/10.1155/2016/8153582 |
| spellingShingle | Chunhui Liu Zhengxing Zuo Huihua Feng Systematic Reduction of the Detailed Kinetic Mechanism for the Combustion of n-Butane Journal of Chemistry |
| title | Systematic Reduction of the Detailed Kinetic Mechanism for the Combustion of n-Butane |
| title_full | Systematic Reduction of the Detailed Kinetic Mechanism for the Combustion of n-Butane |
| title_fullStr | Systematic Reduction of the Detailed Kinetic Mechanism for the Combustion of n-Butane |
| title_full_unstemmed | Systematic Reduction of the Detailed Kinetic Mechanism for the Combustion of n-Butane |
| title_short | Systematic Reduction of the Detailed Kinetic Mechanism for the Combustion of n-Butane |
| title_sort | systematic reduction of the detailed kinetic mechanism for the combustion of n butane |
| url | http://dx.doi.org/10.1155/2016/8153582 |
| work_keys_str_mv | AT chunhuiliu systematicreductionofthedetailedkineticmechanismforthecombustionofnbutane AT zhengxingzuo systematicreductionofthedetailedkineticmechanismforthecombustionofnbutane AT huihuafeng systematicreductionofthedetailedkineticmechanismforthecombustionofnbutane |