Detailed chemical kinetic modeling as an innovative approach for understanding complex reactions included in thermochemical conversions of carbon resources

详细的化学动力学模型作为理解碳资源热化学转化中复杂反应的创新方法

• 批准号: 23686112
• 负责人: NORINAGA Koyo
• 金额: $ 10.57万
• 依托单位: Kyushu University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Young Scientists (A)
• 财政年份: 2011
• 资助国家: 日本
• 起止时间: 2011-04-01 至 2014-03-31
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23686112/
• 关键词: 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; バイオマス; 石炭; 反応機構; 反応速度論; シミュレーション; 分析; エネルギー; 素反応モデル; 質量分析

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.

研究了碳资源（如纤维素）的热化学转化中的反应化学。使用两阶段的管状反应器来评估新生黄油酸盐的继发蒸气相反应的反应动力学。还通过数值验证了实验，该实验通过了由8000多个基本步骤组成的详细化学动力学模型，例如与500多种化学物种的反应。动力学模型可接受的能力预测产品的浓度谱，使我们能够通过纤维素的原发性硫化物来评估导致苯和萘的反应途径。 C3炔烃和二烯是在低温下苯的主要前体，而乙烯和乙烯基乙烯的组合在高温下主要产生苯。环戊烯是萘的重要前体。乙炔与丙烯或烯丙基自由基的组合导致了环戊烯的形成。

项目成果

Detailed chemical kinetic modelling of vapour-phase cracking of multi-component molecular mixtures derived from the fast pyrolysis of cellulose

• DOI: 10.1016/j.fuel.2011.07.045
• 发表时间: 2013
• 期刊: Fuel
• 影响因子: 7.4
• 作者: K. Norinaga;T. Shoji;Shinji Kudo;J. Hayashi

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实验室主页

Process Development toward Efficient Charcoal Production from Biomass using Moving Bed Pyrolyzer

使用移动床热解器从生物质高效生产木炭的工艺开发

• 发表时间: 2013
• 期刊: Journal of the Society of Powder Technology, Japan
• 作者: Yong Huang;Koyo Norinaga;Shinji Kudo;Jun-ichiro Hayashi;Keiji Tomura;Satoshi Horiuchi;Nubuo Takasu.
• 通讯作者: Nubuo Takasu.

研究成果公表Web Page （則永行庸）

研究结果公开网页（行长教长）

固体炭素資源熱化学転換反応の理解と予測

理解和预测固体碳资源热化学转化反应

• 发表时间: 2013
• 作者: 木村祐介;尾崎誠;鶴岡孝章;縄舟秀美;柳本博;赤松謙祐;陶究;則永行庸
• 通讯作者: 則永行庸