Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows

Abstract Shock-induced combustion of aluminum nanoparticles was examined in the $ CO_{2} $ and $ H_{2} $O flows up to 8 km/s using reactive molecular dynamics. The morphological evolutions and heat/mass transfer of ANPs were discussed to reveal the nature of anisotropic combustion. The breakage of t...
Ausführliche Beschreibung

Gespeichert in:

Autor*in:	Chang, Xiaoya [verfasserIn] Chen, Dongping Chu, Qingzhao

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2022

Schlagwörter:	anisotropic reaction surface reaction ignition combustion mode molecular dynamics simulation

Anmerkung:	© Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer 2022

Übergeordnetes Werk:	Enthalten in: Journal of thermal science - Berlin : Springer, 1992, 31(2022), 3 vom: Mai, Seite 867-881
Übergeordnetes Werk:	volume:31 ; year:2022 ; number:3 ; month:05 ; pages:867-881

Links:	Volltext

DOI / URN:	10.1007/s11630-022-1614-9

Katalog-ID:	SPR047016272

Internformat


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520			\|a Abstract Shock-induced combustion of aluminum nanoparticles was examined in the $ CO_{2} $ and $ H_{2} $O flows up to 8 km/s using reactive molecular dynamics. The morphological evolutions and heat/mass transfer of ANPs were discussed to reveal the nature of anisotropic combustion. The breakage of triatomic gas molecule and the formation of key intermediates were identified to illustrate the reaction mechanisms at the atomic level. It was found that surface reactions prevail for cases in lower flow velocity (≤6 km/s), and gas-phase reactions govern the oxidation process under the intense impact (8 km/s). In particular, we converted the flow velocity to the initial kinetic energy of flow molecules to highlight the impact of oxidizing ability on the shock-induced combustion. In the regime of low initial kinetic energy (<122.2 kJ/mol), the oxidation follows the diffusion mechanism, and the ignition delay is mainly affected by the reaction rate and heat release of oxidizers. Further increasing the initial kinetic energy (<458.1 kJ/mol), the impact of oxidizers weakens and the heat transfer becomes dominant. In the extreme scenarios (>458.1 kJ/mol), the overall oxidation is governed by the microexplosion mechanism, and different oxidizers share almost the same ignition delay.
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publishDate	2022
allfields	10.1007/s11630-022-1614-9 doi (DE-627)SPR047016272 (SPR)s11630-022-1614-9-e DE-627 ger DE-627 rakwb eng Chang, Xiaoya verfasserin aut Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer 2022 Abstract Shock-induced combustion of aluminum nanoparticles was examined in the $ CO_{2} $ and $ H_{2} $O flows up to 8 km/s using reactive molecular dynamics. The morphological evolutions and heat/mass transfer of ANPs were discussed to reveal the nature of anisotropic combustion. The breakage of triatomic gas molecule and the formation of key intermediates were identified to illustrate the reaction mechanisms at the atomic level. It was found that surface reactions prevail for cases in lower flow velocity (≤6 km/s), and gas-phase reactions govern the oxidation process under the intense impact (8 km/s). In particular, we converted the flow velocity to the initial kinetic energy of flow molecules to highlight the impact of oxidizing ability on the shock-induced combustion. In the regime of low initial kinetic energy (<122.2 kJ/mol), the oxidation follows the diffusion mechanism, and the ignition delay is mainly affected by the reaction rate and heat release of oxidizers. Further increasing the initial kinetic energy (<458.1 kJ/mol), the impact of oxidizers weakens and the heat transfer becomes dominant. In the extreme scenarios (>458.1 kJ/mol), the overall oxidation is governed by the microexplosion mechanism, and different oxidizers share almost the same ignition delay. anisotropic reaction (dpeaa)DE-He213 surface reaction (dpeaa)DE-He213 ignition (dpeaa)DE-He213 combustion mode (dpeaa)DE-He213 molecular dynamics simulation (dpeaa)DE-He213 Chen, Dongping aut Chu, Qingzhao aut Enthalten in Journal of thermal science Berlin : Springer, 1992 31(2022), 3 vom: Mai, Seite 867-881 (DE-627)528360884 (DE-600)2280144-3 1993-033X nnns volume:31 year:2022 number:3 month:05 pages:867-881 https://dx.doi.org/10.1007/s11630-022-1614-9 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 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_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 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_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 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_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 31 2022 3 05 867-881
spelling	10.1007/s11630-022-1614-9 doi (DE-627)SPR047016272 (SPR)s11630-022-1614-9-e DE-627 ger DE-627 rakwb eng Chang, Xiaoya verfasserin aut Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer 2022 Abstract Shock-induced combustion of aluminum nanoparticles was examined in the $ CO_{2} $ and $ H_{2} $O flows up to 8 km/s using reactive molecular dynamics. The morphological evolutions and heat/mass transfer of ANPs were discussed to reveal the nature of anisotropic combustion. The breakage of triatomic gas molecule and the formation of key intermediates were identified to illustrate the reaction mechanisms at the atomic level. It was found that surface reactions prevail for cases in lower flow velocity (≤6 km/s), and gas-phase reactions govern the oxidation process under the intense impact (8 km/s). In particular, we converted the flow velocity to the initial kinetic energy of flow molecules to highlight the impact of oxidizing ability on the shock-induced combustion. In the regime of low initial kinetic energy (<122.2 kJ/mol), the oxidation follows the diffusion mechanism, and the ignition delay is mainly affected by the reaction rate and heat release of oxidizers. Further increasing the initial kinetic energy (<458.1 kJ/mol), the impact of oxidizers weakens and the heat transfer becomes dominant. In the extreme scenarios (>458.1 kJ/mol), the overall oxidation is governed by the microexplosion mechanism, and different oxidizers share almost the same ignition delay. anisotropic reaction (dpeaa)DE-He213 surface reaction (dpeaa)DE-He213 ignition (dpeaa)DE-He213 combustion mode (dpeaa)DE-He213 molecular dynamics simulation (dpeaa)DE-He213 Chen, Dongping aut Chu, Qingzhao aut Enthalten in Journal of thermal science Berlin : Springer, 1992 31(2022), 3 vom: Mai, Seite 867-881 (DE-627)528360884 (DE-600)2280144-3 1993-033X nnns volume:31 year:2022 number:3 month:05 pages:867-881 https://dx.doi.org/10.1007/s11630-022-1614-9 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 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_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 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_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 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_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 31 2022 3 05 867-881
allfields_unstemmed	10.1007/s11630-022-1614-9 doi (DE-627)SPR047016272 (SPR)s11630-022-1614-9-e DE-627 ger DE-627 rakwb eng Chang, Xiaoya verfasserin aut Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer 2022 Abstract Shock-induced combustion of aluminum nanoparticles was examined in the $ CO_{2} $ and $ H_{2} $O flows up to 8 km/s using reactive molecular dynamics. The morphological evolutions and heat/mass transfer of ANPs were discussed to reveal the nature of anisotropic combustion. The breakage of triatomic gas molecule and the formation of key intermediates were identified to illustrate the reaction mechanisms at the atomic level. It was found that surface reactions prevail for cases in lower flow velocity (≤6 km/s), and gas-phase reactions govern the oxidation process under the intense impact (8 km/s). In particular, we converted the flow velocity to the initial kinetic energy of flow molecules to highlight the impact of oxidizing ability on the shock-induced combustion. In the regime of low initial kinetic energy (<122.2 kJ/mol), the oxidation follows the diffusion mechanism, and the ignition delay is mainly affected by the reaction rate and heat release of oxidizers. Further increasing the initial kinetic energy (<458.1 kJ/mol), the impact of oxidizers weakens and the heat transfer becomes dominant. In the extreme scenarios (>458.1 kJ/mol), the overall oxidation is governed by the microexplosion mechanism, and different oxidizers share almost the same ignition delay. anisotropic reaction (dpeaa)DE-He213 surface reaction (dpeaa)DE-He213 ignition (dpeaa)DE-He213 combustion mode (dpeaa)DE-He213 molecular dynamics simulation (dpeaa)DE-He213 Chen, Dongping aut Chu, Qingzhao aut Enthalten in Journal of thermal science Berlin : Springer, 1992 31(2022), 3 vom: Mai, Seite 867-881 (DE-627)528360884 (DE-600)2280144-3 1993-033X nnns volume:31 year:2022 number:3 month:05 pages:867-881 https://dx.doi.org/10.1007/s11630-022-1614-9 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 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_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 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_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 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_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 31 2022 3 05 867-881
allfieldsGer	10.1007/s11630-022-1614-9 doi (DE-627)SPR047016272 (SPR)s11630-022-1614-9-e DE-627 ger DE-627 rakwb eng Chang, Xiaoya verfasserin aut Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer 2022 Abstract Shock-induced combustion of aluminum nanoparticles was examined in the $ CO_{2} $ and $ H_{2} $O flows up to 8 km/s using reactive molecular dynamics. The morphological evolutions and heat/mass transfer of ANPs were discussed to reveal the nature of anisotropic combustion. The breakage of triatomic gas molecule and the formation of key intermediates were identified to illustrate the reaction mechanisms at the atomic level. It was found that surface reactions prevail for cases in lower flow velocity (≤6 km/s), and gas-phase reactions govern the oxidation process under the intense impact (8 km/s). In particular, we converted the flow velocity to the initial kinetic energy of flow molecules to highlight the impact of oxidizing ability on the shock-induced combustion. In the regime of low initial kinetic energy (<122.2 kJ/mol), the oxidation follows the diffusion mechanism, and the ignition delay is mainly affected by the reaction rate and heat release of oxidizers. Further increasing the initial kinetic energy (<458.1 kJ/mol), the impact of oxidizers weakens and the heat transfer becomes dominant. In the extreme scenarios (>458.1 kJ/mol), the overall oxidation is governed by the microexplosion mechanism, and different oxidizers share almost the same ignition delay. anisotropic reaction (dpeaa)DE-He213 surface reaction (dpeaa)DE-He213 ignition (dpeaa)DE-He213 combustion mode (dpeaa)DE-He213 molecular dynamics simulation (dpeaa)DE-He213 Chen, Dongping aut Chu, Qingzhao aut Enthalten in Journal of thermal science Berlin : Springer, 1992 31(2022), 3 vom: Mai, Seite 867-881 (DE-627)528360884 (DE-600)2280144-3 1993-033X nnns volume:31 year:2022 number:3 month:05 pages:867-881 https://dx.doi.org/10.1007/s11630-022-1614-9 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 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_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 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_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 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_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 31 2022 3 05 867-881
allfieldsSound	10.1007/s11630-022-1614-9 doi (DE-627)SPR047016272 (SPR)s11630-022-1614-9-e DE-627 ger DE-627 rakwb eng Chang, Xiaoya verfasserin aut Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer 2022 Abstract Shock-induced combustion of aluminum nanoparticles was examined in the $ CO_{2} $ and $ H_{2} $O flows up to 8 km/s using reactive molecular dynamics. The morphological evolutions and heat/mass transfer of ANPs were discussed to reveal the nature of anisotropic combustion. The breakage of triatomic gas molecule and the formation of key intermediates were identified to illustrate the reaction mechanisms at the atomic level. It was found that surface reactions prevail for cases in lower flow velocity (≤6 km/s), and gas-phase reactions govern the oxidation process under the intense impact (8 km/s). In particular, we converted the flow velocity to the initial kinetic energy of flow molecules to highlight the impact of oxidizing ability on the shock-induced combustion. In the regime of low initial kinetic energy (<122.2 kJ/mol), the oxidation follows the diffusion mechanism, and the ignition delay is mainly affected by the reaction rate and heat release of oxidizers. Further increasing the initial kinetic energy (<458.1 kJ/mol), the impact of oxidizers weakens and the heat transfer becomes dominant. In the extreme scenarios (>458.1 kJ/mol), the overall oxidation is governed by the microexplosion mechanism, and different oxidizers share almost the same ignition delay. anisotropic reaction (dpeaa)DE-He213 surface reaction (dpeaa)DE-He213 ignition (dpeaa)DE-He213 combustion mode (dpeaa)DE-He213 molecular dynamics simulation (dpeaa)DE-He213 Chen, Dongping aut Chu, Qingzhao aut Enthalten in Journal of thermal science Berlin : Springer, 1992 31(2022), 3 vom: Mai, Seite 867-881 (DE-627)528360884 (DE-600)2280144-3 1993-033X nnns volume:31 year:2022 number:3 month:05 pages:867-881 https://dx.doi.org/10.1007/s11630-022-1614-9 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 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_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 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_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 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_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 31 2022 3 05 867-881
language	English
source	Enthalten in Journal of thermal science 31(2022), 3 vom: Mai, Seite 867-881 volume:31 year:2022 number:3 month:05 pages:867-881
sourceStr	Enthalten in Journal of thermal science 31(2022), 3 vom: Mai, Seite 867-881 volume:31 year:2022 number:3 month:05 pages:867-881
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	anisotropic reaction surface reaction ignition combustion mode molecular dynamics simulation
isfreeaccess_bool	false
container_title	Journal of thermal science
authorswithroles_txt_mv	Chang, Xiaoya @@aut@@ Chen, Dongping @@aut@@ Chu, Qingzhao @@aut@@
publishDateDaySort_date	2022-05-01T00:00:00Z
hierarchy_top_id	528360884
id	SPR047016272
language_de	englisch
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author	Chang, Xiaoya
spellingShingle	Chang, Xiaoya misc anisotropic reaction misc surface reaction misc ignition misc combustion mode misc molecular dynamics simulation Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows
authorStr	Chang, Xiaoya
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topic_title	Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows anisotropic reaction (dpeaa)DE-He213 surface reaction (dpeaa)DE-He213 ignition (dpeaa)DE-He213 combustion mode (dpeaa)DE-He213 molecular dynamics simulation (dpeaa)DE-He213
topic	misc anisotropic reaction misc surface reaction misc ignition misc combustion mode misc molecular dynamics simulation
topic_unstemmed	misc anisotropic reaction misc surface reaction misc ignition misc combustion mode misc molecular dynamics simulation
topic_browse	misc anisotropic reaction misc surface reaction misc ignition misc combustion mode misc molecular dynamics simulation
format_facet	Elektronische Aufsätze Aufsätze Elektronische Ressource
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title	Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows
ctrlnum	(DE-627)SPR047016272 (SPR)s11630-022-1614-9-e
title_full	Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows
author_sort	Chang, Xiaoya
journal	Journal of thermal science
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author_browse	Chang, Xiaoya Chen, Dongping Chu, Qingzhao
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author-letter	Chang, Xiaoya
doi_str_mv	10.1007/s11630-022-1614-9
title_sort	anisotropic combustion of aluminum nanoparticles in carbon dioxide and water flows
title_auth	Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows
abstract	Abstract Shock-induced combustion of aluminum nanoparticles was examined in the $ CO_{2} $ and $ H_{2} $O flows up to 8 km/s using reactive molecular dynamics. The morphological evolutions and heat/mass transfer of ANPs were discussed to reveal the nature of anisotropic combustion. The breakage of triatomic gas molecule and the formation of key intermediates were identified to illustrate the reaction mechanisms at the atomic level. It was found that surface reactions prevail for cases in lower flow velocity (≤6 km/s), and gas-phase reactions govern the oxidation process under the intense impact (8 km/s). In particular, we converted the flow velocity to the initial kinetic energy of flow molecules to highlight the impact of oxidizing ability on the shock-induced combustion. In the regime of low initial kinetic energy (<122.2 kJ/mol), the oxidation follows the diffusion mechanism, and the ignition delay is mainly affected by the reaction rate and heat release of oxidizers. Further increasing the initial kinetic energy (<458.1 kJ/mol), the impact of oxidizers weakens and the heat transfer becomes dominant. In the extreme scenarios (>458.1 kJ/mol), the overall oxidation is governed by the microexplosion mechanism, and different oxidizers share almost the same ignition delay. © Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer 2022
abstractGer	Abstract Shock-induced combustion of aluminum nanoparticles was examined in the $ CO_{2} $ and $ H_{2} $O flows up to 8 km/s using reactive molecular dynamics. The morphological evolutions and heat/mass transfer of ANPs were discussed to reveal the nature of anisotropic combustion. The breakage of triatomic gas molecule and the formation of key intermediates were identified to illustrate the reaction mechanisms at the atomic level. It was found that surface reactions prevail for cases in lower flow velocity (≤6 km/s), and gas-phase reactions govern the oxidation process under the intense impact (8 km/s). In particular, we converted the flow velocity to the initial kinetic energy of flow molecules to highlight the impact of oxidizing ability on the shock-induced combustion. In the regime of low initial kinetic energy (<122.2 kJ/mol), the oxidation follows the diffusion mechanism, and the ignition delay is mainly affected by the reaction rate and heat release of oxidizers. Further increasing the initial kinetic energy (<458.1 kJ/mol), the impact of oxidizers weakens and the heat transfer becomes dominant. In the extreme scenarios (>458.1 kJ/mol), the overall oxidation is governed by the microexplosion mechanism, and different oxidizers share almost the same ignition delay. © Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer 2022
abstract_unstemmed	Abstract Shock-induced combustion of aluminum nanoparticles was examined in the $ CO_{2} $ and $ H_{2} $O flows up to 8 km/s using reactive molecular dynamics. The morphological evolutions and heat/mass transfer of ANPs were discussed to reveal the nature of anisotropic combustion. The breakage of triatomic gas molecule and the formation of key intermediates were identified to illustrate the reaction mechanisms at the atomic level. It was found that surface reactions prevail for cases in lower flow velocity (≤6 km/s), and gas-phase reactions govern the oxidation process under the intense impact (8 km/s). In particular, we converted the flow velocity to the initial kinetic energy of flow molecules to highlight the impact of oxidizing ability on the shock-induced combustion. In the regime of low initial kinetic energy (<122.2 kJ/mol), the oxidation follows the diffusion mechanism, and the ignition delay is mainly affected by the reaction rate and heat release of oxidizers. Further increasing the initial kinetic energy (<458.1 kJ/mol), the impact of oxidizers weakens and the heat transfer becomes dominant. In the extreme scenarios (>458.1 kJ/mol), the overall oxidation is governed by the microexplosion mechanism, and different oxidizers share almost the same ignition delay. © Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer 2022
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container_issue	3
title_short	Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows
url	https://dx.doi.org/10.1007/s11630-022-1614-9
remote_bool	true
author2	Chen, Dongping Chu, Qingzhao
author2Str	Chen, Dongping Chu, Qingzhao
ppnlink	528360884
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doi_str	10.1007/s11630-022-1614-9
up_date	2024-07-04T01:28:54.966Z
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Anisotropic Combustion of Aluminum Nanoparticles in Carbon Dioxide and Water Flows

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