Development and Validation of a Reduced Chemical Kinetic Model for Methanol Oxidation
Development and Validation of a Reduced Chemical Kinetic Model for Methanol Oxidation
复制标题
甲醇氧化简化化学动力学模型的开发和验证
DOI：
10.1021/ef101335q
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发表时间：
2011-01
期刊：
影响因子：
--
通讯作者：
Liao SY
中科院分区：
文献类型：
--
作者：
Cheng Q;LI HM;Wang G;Mi L;Shi XH;Yuan C;Liao SY
在分析甲醇氧化反应机理的基础上，提出了一种新的还原化学动力学机理。简化模型涉及17个物种经历40个反应，并已被验证对一系列的实验测量。激波管、流动反应器和静态反应器的实验数据表明，当温度在823 ~ 2180 K之间，压力在0.005 ~ 2.0 MPa之间，当量比在0.2 ~ 2.6之间时，该机理可以很好地预测甲醇氧化过程。用该机理计算的预混层流火焰速度和点火延迟时间也与实验数据吻合较好。此外，在静态反应器，流动反应器，和预混层流火焰中的活性中间体和自由基也可以很好地预测，使用这种简化的机制。通过与其它综合机理的比较，验证了简化模型的有效性。
Following the analysis of the reactive routine of methanol oxidation, a new reduced chemical kinetic mechanism has been developed for investigation of methanol oxidation. The reduced model involves 17 species undergoing 40 reactions and has been validated against a series of experimental measurements. Experimental data from shock tubes, flow reactors, and static reactors showed that, when the temperature is between 823 and 2180 K, the pressure is between 0.005 and 2.0 MPa, and the equivalence ratio is between 0.2 and 2.6, the proposed mechanism can predict the methanol oxidation process quite well. The premixed laminar flame speeds and ignition delay times computed by this mechanism have demonstrated good agreement with the experimental data as well. Moreover, the reactive intermediates and radicals in static reactors, flow reactors, and premixed laminar flames can also been predicted very well, using this reduced mechanism. Compared with other comprehensive mechanisms, the reduced model is validated by m...
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DOI：
10.1002/bbpc.19920961007
发表时间：
1992-10-01
期刊：
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS
影响因子：
--
作者：
GROTHEER, HH;KELM, S;ROBERTSON, GN
通讯作者：
ROBERTSON, GN
影响因子：
1.5
作者：
Li, J;Zhao, ZW;Dryer, FL
通讯作者：
Dryer, FL
DOI：
10.1016/s0082-0784(00)80582-2
发表时间：
2000
期刊：
--
影响因子：
--
作者：
R. Lindstedt;G. Skevis
通讯作者：
R. Lindstedt;G. Skevis
DOI：
10.1021/j100248a033
发表时间：
1985-01
期刊：
The Journal of Physical Chemistry
影响因子：
--
作者：
C. Cobos;H. Hippler;J. Troe
通讯作者：
C. Cobos;H. Hippler;J. Troe
影响因子：
1.9
作者：
R. Yetter;F. Dryer;H. Rabitz
通讯作者：
R. Yetter;F. Dryer;H. Rabitz