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.

研究了纤维素等碳资源热化学转化中的反应化学。两级管式反应器用于评估新生热解产物的二次气相反应的反应动力学。实验还通过详细的化学动力学模型进行了数值验证，该模型由 500 多种化学物质的 8000 多个基本步骤式反应组成。动力学模型在预测产物浓度分布方面的可接受能力使我们能够评估通过纤维素初级热解产物中的炔和二烯生成苯和萘的反应途径。 C3炔和二烯是低温下苯的主要前体，而乙烯和乙烯基乙炔的结合在高温下主要生成苯。环戊二烯是萘的重要前体。乙炔与丙炔或烯丙基结合导致形成环戊二烯。

项目成果

Rapid pyrolysis of brown coal in a drop-tube reactor with co-feeding of char as a promoter of in situ tar reforming

褐煤在落管式反应器中的快速热解，同时加入炭作为原位焦油重整的促进剂

• DOI: 10.1016/j.fuel.2011.12.030
• 发表时间: 2013
• 影响因子: 7.4
• 作者: Li

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: 則永行庸

Detailed chemical kinetic modeling of complex reactions of multi-component mixtures derived from carbon resources

来自碳资源的多组分混合物的复杂反应的详细化学动力学模型

• 作者: Koyo Norinaga

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