| Item type |
会議発表論文 / Conference Paper(1) |
| 公開日 |
2025-10-31 |
| タイトル |
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|
タイトル |
Reaction modeling for oxidation of aluminum with CO2 and H2O in gas phase |
|
言語 |
en |
| 言語 |
|
|
言語 |
eng |
| 資源タイプ |
|
|
資源タイプ |
conference paper |
| アクセス権 |
|
|
アクセス権 |
open access |
| 著者 |
Saba, Masatoshi
Kato, Takafumi
Oguchi, Tatsuo
佐場, 雅俊
加藤, 崇典
小口, 達夫
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| 抄録 |
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内容記述タイプ |
Abstract |
|
内容記述 |
A detailed chemical kinetic model for aluminum oxidation in gas phase has been investigated. Quantum chemical calculations were performed for obtaining structures of intermediates and transition states on the reaction pathways.
Intermediates were searched at the B3LYP/6 311G(d,p) level, and structures and energies were optimized by using CBS QB3 method. Rate coefficients of each reaction paths based on VTST or RRKM theory were also calculated for constructing the detail ed chemical kinetic model. Kinetic calculation s with only CO2 or H2O as an oxidizer were carried out by using this model under isobaric and isothermal conditions . Comparison of chemical composition s of kinetic calculation s with that of chemical equilibrium calculations shows the valid range of this model. Al2O ( with CO2 as an oxidizer), AlOH and Al2O2H2 (with H2O as an oxidizer) are metastable less than 2000 K though Al8O12 as critical nuclei of aluminum oxide in this model forms more than 2000 K. This model is reasonable although there is still room of improvement. |
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言語 |
en |
| 内容記述 |
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|
内容記述タイプ |
Other |
|
内容記述 |
12th Asia-Pacific Conference on Combustion,
Fukuoka International Congress Center, Fukuoka, Japan
1st -5th July 2019. |
|
言語 |
en |
| bibliographic_information |
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| 関連サイト |
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|
識別子タイプ |
URI |
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関連識別子 |
https://www.combustionsociety.jp/aspacc19/ |
ASPACC2019-20250916.pdf (328 KB)
