Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis

The increasing demands on efficiency and accuracy for numerical studies are urgently driving the development of chemical kinetic mechanisms with reliable prediction performance and compact size. In this work, a reduced kinetic mechanism was developed to comprehensively predict the combustion charact...
Ausführliche Beschreibung

Gespeichert in:

Autor*in:	Wang, Huaiyin [verfasserIn] Wang, Tianyou [verfasserIn] Jia, Ming [verfasserIn] Lu, Zhen [verfasserIn] Chang, Yachao [verfasserIn] Sun, Kai [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2023

Schlagwörter:	Ammonia Species-based global sensitivity analysis Path sensitivity analysis Mechanism reduction

Übergeordnetes Werk:	Enthalten in: Fuel - New York, NY [u.a.] : Elsevier, 1970, 344
Übergeordnetes Werk:	volume:344

DOI / URN:	10.1016/j.fuel.2023.128036

Katalog-ID:	ELV010158332

Internformat


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245	1	0	\|a Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis
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520			\|a The increasing demands on efficiency and accuracy for numerical studies are urgently driving the development of chemical kinetic mechanisms with reliable prediction performance and compact size. In this work, a reduced kinetic mechanism was developed to comprehensively predict the combustion characteristics of ammonia. First, the performances of a series of detailed ammonia mechanisms were evaluated based on the average error function between mechanism predictions and experimental data from various typical reactors. The Han Mech., Mei Mech., and Zhang Mech. were identified to best predict the ignition delay time, laminar flame speed, and concentration profiles under a wide range of operating conditions, respectively. Then, the species-based path sensitivity analysis and global sensitivity analysis were utilized to identify the importance of species in these three selected detailed kinetic mechanisms on specific targets. The redundant species are eliminated until the relative errors between the predicted results using the interim reduced mechanisms and the detailed mechanisms exceed 10%. Finally, by merging and optimizing the three interim reduced mechanisms, a new reduced model was developed, which consists of 25 species and 174 reactions. Extensive validations against experimental data in shock tubes, premixed laminar flames, and jet-stirred reactors over broad operating conditions show satisfactory agreements, thereby substantiating the good practicability of the developed mechanism.
650		4	\|a Ammonia
650		4	\|a Species-based global sensitivity analysis
650		4	\|a Path sensitivity analysis
650		4	\|a Mechanism reduction
700	1		\|a Wang, Tianyou \|e verfasserin \|4 aut
700	1		\|a Jia, Ming \|e verfasserin \|4 aut
700	1		\|a Lu, Zhen \|e verfasserin \|4 aut
700	1		\|a Chang, Yachao \|e verfasserin \|4 aut
700	1		\|a Sun, Kai \|e verfasserin \|0 (orcid)0000-0001-6409-792X \|4 aut
773	0	8	\|i Enthalten in \|t Fuel \|d New York, NY [u.a.] : Elsevier, 1970 \|g 344 \|h Online-Ressource \|w (DE-627)300898584 \|w (DE-600)1483656-7 \|w (DE-576)09555176X \|x 0016-2361 \|7 nnns
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912			\|a GBV_ILN_22
912			\|a GBV_ILN_23
912			\|a GBV_ILN_24
912			\|a GBV_ILN_31
912			\|a GBV_ILN_32
912			\|a GBV_ILN_40
912			\|a GBV_ILN_60
912			\|a GBV_ILN_62
912			\|a GBV_ILN_65
912			\|a GBV_ILN_69
912			\|a GBV_ILN_70
912			\|a GBV_ILN_73
912			\|a GBV_ILN_74
912			\|a GBV_ILN_90
912			\|a GBV_ILN_95
912			\|a GBV_ILN_100
912			\|a GBV_ILN_105
912			\|a GBV_ILN_110
912			\|a GBV_ILN_150
912			\|a GBV_ILN_151
912			\|a GBV_ILN_187
912			\|a GBV_ILN_213
912			\|a GBV_ILN_224
912			\|a GBV_ILN_230
912			\|a GBV_ILN_370
912			\|a GBV_ILN_602
912			\|a GBV_ILN_702
912			\|a GBV_ILN_2001
912			\|a GBV_ILN_2003
912			\|a GBV_ILN_2004
912			\|a GBV_ILN_2005
912			\|a GBV_ILN_2007
912			\|a GBV_ILN_2009
912			\|a GBV_ILN_2010
912			\|a GBV_ILN_2011
912			\|a GBV_ILN_2014
912			\|a GBV_ILN_2015
912			\|a GBV_ILN_2020
912			\|a GBV_ILN_2021
912			\|a GBV_ILN_2025
912			\|a GBV_ILN_2026
912			\|a GBV_ILN_2027
912			\|a GBV_ILN_2034
912			\|a GBV_ILN_2044
912			\|a GBV_ILN_2048
912			\|a GBV_ILN_2049
912			\|a GBV_ILN_2050
912			\|a GBV_ILN_2055
912			\|a GBV_ILN_2056
912			\|a GBV_ILN_2059
912			\|a GBV_ILN_2061
912			\|a GBV_ILN_2064
912			\|a GBV_ILN_2106
912			\|a GBV_ILN_2110
912			\|a GBV_ILN_2111
912			\|a GBV_ILN_2112
912			\|a GBV_ILN_2122
912			\|a GBV_ILN_2129
912			\|a GBV_ILN_2143
912			\|a GBV_ILN_2152
912			\|a GBV_ILN_2153
912			\|a GBV_ILN_2190
912			\|a GBV_ILN_2232
912			\|a GBV_ILN_2336
912			\|a GBV_ILN_2470
912			\|a GBV_ILN_2507
912			\|a GBV_ILN_4035
912			\|a GBV_ILN_4037
912			\|a GBV_ILN_4112
912			\|a GBV_ILN_4125
912			\|a GBV_ILN_4242
912			\|a GBV_ILN_4249
912			\|a GBV_ILN_4251
912			\|a GBV_ILN_4305
912			\|a GBV_ILN_4306
912			\|a GBV_ILN_4307
912			\|a GBV_ILN_4313
912			\|a GBV_ILN_4322
912			\|a GBV_ILN_4323
912			\|a GBV_ILN_4324
912			\|a GBV_ILN_4326
912			\|a GBV_ILN_4333
912			\|a GBV_ILN_4334
912			\|a GBV_ILN_4338
912			\|a GBV_ILN_4393
912			\|a GBV_ILN_4700
936	b	k	\|a 58.21 \|j Brennstoffe \|j Kraftstoffe \|j Explosivstoffe \|q VZ
951			\|a AR
952			\|d 344

Indexfelder

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matchkey_str	article:00162361:2023----::eeomnoaeueceiakntcehnsfrmoicmutouigpceb
hierarchy_sort_str	2023
bklnumber	58.21
publishDate	2023
allfields	10.1016/j.fuel.2023.128036 doi (DE-627)ELV010158332 (ELSEVIER)S0016-2361(23)00649-X DE-627 ger DE-627 rda eng 660 VZ 58.21 bkl Wang, Huaiyin verfasserin aut Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The increasing demands on efficiency and accuracy for numerical studies are urgently driving the development of chemical kinetic mechanisms with reliable prediction performance and compact size. In this work, a reduced kinetic mechanism was developed to comprehensively predict the combustion characteristics of ammonia. First, the performances of a series of detailed ammonia mechanisms were evaluated based on the average error function between mechanism predictions and experimental data from various typical reactors. The Han Mech., Mei Mech., and Zhang Mech. were identified to best predict the ignition delay time, laminar flame speed, and concentration profiles under a wide range of operating conditions, respectively. Then, the species-based path sensitivity analysis and global sensitivity analysis were utilized to identify the importance of species in these three selected detailed kinetic mechanisms on specific targets. The redundant species are eliminated until the relative errors between the predicted results using the interim reduced mechanisms and the detailed mechanisms exceed 10%. Finally, by merging and optimizing the three interim reduced mechanisms, a new reduced model was developed, which consists of 25 species and 174 reactions. Extensive validations against experimental data in shock tubes, premixed laminar flames, and jet-stirred reactors over broad operating conditions show satisfactory agreements, thereby substantiating the good practicability of the developed mechanism. Ammonia Species-based global sensitivity analysis Path sensitivity analysis Mechanism reduction Wang, Tianyou verfasserin aut Jia, Ming verfasserin aut Lu, Zhen verfasserin aut Chang, Yachao verfasserin aut Sun, Kai verfasserin (orcid)0000-0001-6409-792X aut Enthalten in Fuel New York, NY [u.a.] : Elsevier, 1970 344 Online-Ressource (DE-627)300898584 (DE-600)1483656-7 (DE-576)09555176X 0016-2361 nnns volume:344 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 58.21 Brennstoffe Kraftstoffe Explosivstoffe VZ AR 344
spelling	10.1016/j.fuel.2023.128036 doi (DE-627)ELV010158332 (ELSEVIER)S0016-2361(23)00649-X DE-627 ger DE-627 rda eng 660 VZ 58.21 bkl Wang, Huaiyin verfasserin aut Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The increasing demands on efficiency and accuracy for numerical studies are urgently driving the development of chemical kinetic mechanisms with reliable prediction performance and compact size. In this work, a reduced kinetic mechanism was developed to comprehensively predict the combustion characteristics of ammonia. First, the performances of a series of detailed ammonia mechanisms were evaluated based on the average error function between mechanism predictions and experimental data from various typical reactors. The Han Mech., Mei Mech., and Zhang Mech. were identified to best predict the ignition delay time, laminar flame speed, and concentration profiles under a wide range of operating conditions, respectively. Then, the species-based path sensitivity analysis and global sensitivity analysis were utilized to identify the importance of species in these three selected detailed kinetic mechanisms on specific targets. The redundant species are eliminated until the relative errors between the predicted results using the interim reduced mechanisms and the detailed mechanisms exceed 10%. Finally, by merging and optimizing the three interim reduced mechanisms, a new reduced model was developed, which consists of 25 species and 174 reactions. Extensive validations against experimental data in shock tubes, premixed laminar flames, and jet-stirred reactors over broad operating conditions show satisfactory agreements, thereby substantiating the good practicability of the developed mechanism. Ammonia Species-based global sensitivity analysis Path sensitivity analysis Mechanism reduction Wang, Tianyou verfasserin aut Jia, Ming verfasserin aut Lu, Zhen verfasserin aut Chang, Yachao verfasserin aut Sun, Kai verfasserin (orcid)0000-0001-6409-792X aut Enthalten in Fuel New York, NY [u.a.] : Elsevier, 1970 344 Online-Ressource (DE-627)300898584 (DE-600)1483656-7 (DE-576)09555176X 0016-2361 nnns volume:344 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 58.21 Brennstoffe Kraftstoffe Explosivstoffe VZ AR 344
allfields_unstemmed	10.1016/j.fuel.2023.128036 doi (DE-627)ELV010158332 (ELSEVIER)S0016-2361(23)00649-X DE-627 ger DE-627 rda eng 660 VZ 58.21 bkl Wang, Huaiyin verfasserin aut Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The increasing demands on efficiency and accuracy for numerical studies are urgently driving the development of chemical kinetic mechanisms with reliable prediction performance and compact size. In this work, a reduced kinetic mechanism was developed to comprehensively predict the combustion characteristics of ammonia. First, the performances of a series of detailed ammonia mechanisms were evaluated based on the average error function between mechanism predictions and experimental data from various typical reactors. The Han Mech., Mei Mech., and Zhang Mech. were identified to best predict the ignition delay time, laminar flame speed, and concentration profiles under a wide range of operating conditions, respectively. Then, the species-based path sensitivity analysis and global sensitivity analysis were utilized to identify the importance of species in these three selected detailed kinetic mechanisms on specific targets. The redundant species are eliminated until the relative errors between the predicted results using the interim reduced mechanisms and the detailed mechanisms exceed 10%. Finally, by merging and optimizing the three interim reduced mechanisms, a new reduced model was developed, which consists of 25 species and 174 reactions. Extensive validations against experimental data in shock tubes, premixed laminar flames, and jet-stirred reactors over broad operating conditions show satisfactory agreements, thereby substantiating the good practicability of the developed mechanism. Ammonia Species-based global sensitivity analysis Path sensitivity analysis Mechanism reduction Wang, Tianyou verfasserin aut Jia, Ming verfasserin aut Lu, Zhen verfasserin aut Chang, Yachao verfasserin aut Sun, Kai verfasserin (orcid)0000-0001-6409-792X aut Enthalten in Fuel New York, NY [u.a.] : Elsevier, 1970 344 Online-Ressource (DE-627)300898584 (DE-600)1483656-7 (DE-576)09555176X 0016-2361 nnns volume:344 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 58.21 Brennstoffe Kraftstoffe Explosivstoffe VZ AR 344
allfieldsGer	10.1016/j.fuel.2023.128036 doi (DE-627)ELV010158332 (ELSEVIER)S0016-2361(23)00649-X DE-627 ger DE-627 rda eng 660 VZ 58.21 bkl Wang, Huaiyin verfasserin aut Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The increasing demands on efficiency and accuracy for numerical studies are urgently driving the development of chemical kinetic mechanisms with reliable prediction performance and compact size. In this work, a reduced kinetic mechanism was developed to comprehensively predict the combustion characteristics of ammonia. First, the performances of a series of detailed ammonia mechanisms were evaluated based on the average error function between mechanism predictions and experimental data from various typical reactors. The Han Mech., Mei Mech., and Zhang Mech. were identified to best predict the ignition delay time, laminar flame speed, and concentration profiles under a wide range of operating conditions, respectively. Then, the species-based path sensitivity analysis and global sensitivity analysis were utilized to identify the importance of species in these three selected detailed kinetic mechanisms on specific targets. The redundant species are eliminated until the relative errors between the predicted results using the interim reduced mechanisms and the detailed mechanisms exceed 10%. Finally, by merging and optimizing the three interim reduced mechanisms, a new reduced model was developed, which consists of 25 species and 174 reactions. Extensive validations against experimental data in shock tubes, premixed laminar flames, and jet-stirred reactors over broad operating conditions show satisfactory agreements, thereby substantiating the good practicability of the developed mechanism. Ammonia Species-based global sensitivity analysis Path sensitivity analysis Mechanism reduction Wang, Tianyou verfasserin aut Jia, Ming verfasserin aut Lu, Zhen verfasserin aut Chang, Yachao verfasserin aut Sun, Kai verfasserin (orcid)0000-0001-6409-792X aut Enthalten in Fuel New York, NY [u.a.] : Elsevier, 1970 344 Online-Ressource (DE-627)300898584 (DE-600)1483656-7 (DE-576)09555176X 0016-2361 nnns volume:344 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 58.21 Brennstoffe Kraftstoffe Explosivstoffe VZ AR 344
allfieldsSound	10.1016/j.fuel.2023.128036 doi (DE-627)ELV010158332 (ELSEVIER)S0016-2361(23)00649-X DE-627 ger DE-627 rda eng 660 VZ 58.21 bkl Wang, Huaiyin verfasserin aut Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis 2023 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The increasing demands on efficiency and accuracy for numerical studies are urgently driving the development of chemical kinetic mechanisms with reliable prediction performance and compact size. In this work, a reduced kinetic mechanism was developed to comprehensively predict the combustion characteristics of ammonia. First, the performances of a series of detailed ammonia mechanisms were evaluated based on the average error function between mechanism predictions and experimental data from various typical reactors. The Han Mech., Mei Mech., and Zhang Mech. were identified to best predict the ignition delay time, laminar flame speed, and concentration profiles under a wide range of operating conditions, respectively. Then, the species-based path sensitivity analysis and global sensitivity analysis were utilized to identify the importance of species in these three selected detailed kinetic mechanisms on specific targets. The redundant species are eliminated until the relative errors between the predicted results using the interim reduced mechanisms and the detailed mechanisms exceed 10%. Finally, by merging and optimizing the three interim reduced mechanisms, a new reduced model was developed, which consists of 25 species and 174 reactions. Extensive validations against experimental data in shock tubes, premixed laminar flames, and jet-stirred reactors over broad operating conditions show satisfactory agreements, thereby substantiating the good practicability of the developed mechanism. Ammonia Species-based global sensitivity analysis Path sensitivity analysis Mechanism reduction Wang, Tianyou verfasserin aut Jia, Ming verfasserin aut Lu, Zhen verfasserin aut Chang, Yachao verfasserin aut Sun, Kai verfasserin (orcid)0000-0001-6409-792X aut Enthalten in Fuel New York, NY [u.a.] : Elsevier, 1970 344 Online-Ressource (DE-627)300898584 (DE-600)1483656-7 (DE-576)09555176X 0016-2361 nnns volume:344 GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2007 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2106 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4242 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 58.21 Brennstoffe Kraftstoffe Explosivstoffe VZ AR 344
language	English
source	Enthalten in Fuel 344 volume:344
sourceStr	Enthalten in Fuel 344 volume:344
format_phy_str_mv	Article
bklname	Brennstoffe Kraftstoffe Explosivstoffe
institution	findex.gbv.de
topic_facet	Ammonia Species-based global sensitivity analysis Path sensitivity analysis Mechanism reduction
dewey-raw	660
isfreeaccess_bool	false
container_title	Fuel
authorswithroles_txt_mv	Wang, Huaiyin @@aut@@ Wang, Tianyou @@aut@@ Jia, Ming @@aut@@ Lu, Zhen @@aut@@ Chang, Yachao @@aut@@ Sun, Kai @@aut@@
publishDateDaySort_date	2023-01-01T00:00:00Z
hierarchy_top_id	300898584
dewey-sort	3660
id	ELV010158332
language_de	englisch
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author	Wang, Huaiyin
spellingShingle	Wang, Huaiyin ddc 660 bkl 58.21 misc Ammonia misc Species-based global sensitivity analysis misc Path sensitivity analysis misc Mechanism reduction Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis
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topic_title	660 VZ 58.21 bkl Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis Ammonia Species-based global sensitivity analysis Path sensitivity analysis Mechanism reduction
topic	ddc 660 bkl 58.21 misc Ammonia misc Species-based global sensitivity analysis misc Path sensitivity analysis misc Mechanism reduction
topic_unstemmed	ddc 660 bkl 58.21 misc Ammonia misc Species-based global sensitivity analysis misc Path sensitivity analysis misc Mechanism reduction
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title	Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis
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title_full	Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis
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title_sort	development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis
title_auth	Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis
abstract	The increasing demands on efficiency and accuracy for numerical studies are urgently driving the development of chemical kinetic mechanisms with reliable prediction performance and compact size. In this work, a reduced kinetic mechanism was developed to comprehensively predict the combustion characteristics of ammonia. First, the performances of a series of detailed ammonia mechanisms were evaluated based on the average error function between mechanism predictions and experimental data from various typical reactors. The Han Mech., Mei Mech., and Zhang Mech. were identified to best predict the ignition delay time, laminar flame speed, and concentration profiles under a wide range of operating conditions, respectively. Then, the species-based path sensitivity analysis and global sensitivity analysis were utilized to identify the importance of species in these three selected detailed kinetic mechanisms on specific targets. The redundant species are eliminated until the relative errors between the predicted results using the interim reduced mechanisms and the detailed mechanisms exceed 10%. Finally, by merging and optimizing the three interim reduced mechanisms, a new reduced model was developed, which consists of 25 species and 174 reactions. Extensive validations against experimental data in shock tubes, premixed laminar flames, and jet-stirred reactors over broad operating conditions show satisfactory agreements, thereby substantiating the good practicability of the developed mechanism.
abstractGer	The increasing demands on efficiency and accuracy for numerical studies are urgently driving the development of chemical kinetic mechanisms with reliable prediction performance and compact size. In this work, a reduced kinetic mechanism was developed to comprehensively predict the combustion characteristics of ammonia. First, the performances of a series of detailed ammonia mechanisms were evaluated based on the average error function between mechanism predictions and experimental data from various typical reactors. The Han Mech., Mei Mech., and Zhang Mech. were identified to best predict the ignition delay time, laminar flame speed, and concentration profiles under a wide range of operating conditions, respectively. Then, the species-based path sensitivity analysis and global sensitivity analysis were utilized to identify the importance of species in these three selected detailed kinetic mechanisms on specific targets. The redundant species are eliminated until the relative errors between the predicted results using the interim reduced mechanisms and the detailed mechanisms exceed 10%. Finally, by merging and optimizing the three interim reduced mechanisms, a new reduced model was developed, which consists of 25 species and 174 reactions. Extensive validations against experimental data in shock tubes, premixed laminar flames, and jet-stirred reactors over broad operating conditions show satisfactory agreements, thereby substantiating the good practicability of the developed mechanism.
abstract_unstemmed	The increasing demands on efficiency and accuracy for numerical studies are urgently driving the development of chemical kinetic mechanisms with reliable prediction performance and compact size. In this work, a reduced kinetic mechanism was developed to comprehensively predict the combustion characteristics of ammonia. First, the performances of a series of detailed ammonia mechanisms were evaluated based on the average error function between mechanism predictions and experimental data from various typical reactors. The Han Mech., Mei Mech., and Zhang Mech. were identified to best predict the ignition delay time, laminar flame speed, and concentration profiles under a wide range of operating conditions, respectively. Then, the species-based path sensitivity analysis and global sensitivity analysis were utilized to identify the importance of species in these three selected detailed kinetic mechanisms on specific targets. The redundant species are eliminated until the relative errors between the predicted results using the interim reduced mechanisms and the detailed mechanisms exceed 10%. Finally, by merging and optimizing the three interim reduced mechanisms, a new reduced model was developed, which consists of 25 species and 174 reactions. Extensive validations against experimental data in shock tubes, premixed laminar flames, and jet-stirred reactors over broad operating conditions show satisfactory agreements, thereby substantiating the good practicability of the developed mechanism.
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title_short	Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis
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author2	Wang, Tianyou Jia, Ming Lu, Zhen Chang, Yachao Sun, Kai
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up_date	2024-07-06T17:01:20.392Z
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Development of a reduced chemical kinetic mechanism for ammonia combustion using species-based global sensitivity analysis

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