利用化学反应的多定态特性筛选动力学模型

doi:10.3969/j.issn.0438-1157.2014.02.029

摘要/Abstract

摘要： 以CO在铂催化剂上发生的催化氧化反应为例，以L-H机理和E-R机理为基础，建立了该催化反应的5种动力学模型。利用化学反应网络理论，并依据该反应的多定态特性，对5种可能的动力学模型进行了筛选。筛选结果表明：根据L-H机理得到的模型对应的反应网络能够出现多定态现象，根据E-R机理得到的模型对应的反应网络则无法出现反应体系的多定态现象，因此，L-H机理更为接近CO在铂催化剂上催化氧化的真实反应机理，这与文献结论吻合，证明了利用反应的多定态特性筛选催化反应动力学模型的可行性。

关键词: 多定态, 筛选, 动力学模型, 化学反应, 催化剂

Abstract: Taking the carbon monoxide oxidation reaction on platinum catalyst as case study, based on the L-H mechanism and the E-R mechanism, five kinetic models were constructed toward this catalytic reaction system. The five models were discriminated with the help of chemical reaction network theory and steady state multiplicity of the reaction system. The models based on the L-H mechanism instead of the E-R mechanism, could present multiple steady state of the reaction system. In conclusion, the L-H mechanism was closer to the practical situation of the carbon monoxide oxidation on platinum catalyst, which coincided with the conclusion of related literatures. So it was feasible to discriminate kinetic models by means of the characteristics of multiple steady state of reaction system.

Key words: multiple steady state, discrimination, kinetic modeling, chemical reaction, catalyst

中图分类号:

TQ013.2

侯言超, 刘宏超, 朱建华. 利用化学反应的多定态特性筛选动力学模型[J]. 化工学报, 2014, 65(2): 570-575.

HOU Yanchao, LIU Hongchao, ZHU Jianhua. Discrimination of kinetic models based on characteristics of multiple steady state of reaction system[J]. CIESC Journal, 2014, 65(2): 570-575.

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