2013 Fiscal Year Final Research Report
Detailed chemical kinetic modeling as an innovative approach for understanding complex reactions included in thermochemical conversions of carbon resources
| Project/Area Number |
23686112
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| Research Category |
Grant-in-Aid for Young Scientists (A)
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| Allocation Type | Single-year Grants |
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| Research Field |
Reaction engineering/Process system
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| Research Institution | Kyushu University |
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Principal Investigator |
NORINAGA Koyo 九州大学, 先導物質化学研究所, 准教授 (00312679)
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| Co-Investigator(Renkei-kenkyūsha) |
HAYASHI Jun-ichiro 九州大学, 先導物質化学研究所, 教授 (60218576)
KUDO Shinji 九州大学, 先導物質化学研究所, 助教 (70588889)
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| Project Period (FY) |
2011-04-01 – 2014-03-31
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| Keywords | 炭素資源 / 熱化学転換 / ガス化 / 熱分解 / 反応速度モデル / 素反応 / 詳細化学 |
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| Research Abstract |
The reaction chemistries included in the thermochemical conversion of carbon resources such as cellulose were studied. A two-stage tubular reactor was used for evaluating the reaction kinetics of secondary vapor phase reactions of the nascent pyrolysates. Experiments were also numerically validated by a detailed chemical kinetic model consisting of more than 8000 elementary step like reactions with over 500 chemical species. Acceptable capabilities of the kinetic model in predicting concentration profiles of the products enabled us to assess reaction pathways leading to benzene and naphthalene via the alkyne and diene from primary pyrolysates of cellulose. C3 alkyne and diene are primary precursors of benzene at low temperature, while combination of ethylene and vinylacetylene produces benzene dominantly at high temperature. Cyclopentadiene is a prominent precursor of naphthalene. Combination of acetylene with propyne or allyl radical leads to the formation of cyclopentadiene.
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