A chemical kinetic modelling study of the combustion of CH4-CO-H2-CO2 fuel mixtures
A chemical kinetic modelling study of the combustion of CH4-CO-H2-CO2 fuel mixtures
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DOI：
10.1016/j.combustflame.2016.02.001
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发表时间：
2016-05-01
影响因子：
4.4
通讯作者：
Jiang, X.
中科院分区：
文献类型：
--
作者：
Fischer, M.;Jiang, X.
在本研究中，五个详细的反应机理已被用于模拟530点火延迟时间涉及的混合物含有甲烷，氢气，一氧化碳和二氧化碳。一个新的概念，反应显着性分析（RSA），已被用于确定那些动力学参数有最大的影响之间的差距，一组给定的实验数据和模型预测。总的来说，大多数机制最多捕获沼气的燃烧，并显示其与生物合成气的燃烧相关的最差性能。NUIG（爱尔兰国立大学，高威开发的反应机理）被证明是模拟生物合成气燃烧的最佳选择，尽管它的缺陷。通常，模型倾向于过度预测在最低温度下测量的点火延迟时间。这种效应主要与激波管在这些条件下的不均匀行为有关。除此之外，反应显著性分析揭示了较差的建模性能与属于子系统HO 2-H2 O2的反应之间的相关性。我们确定了这样的化学动力学因素似乎在不准确的预测中发挥作用的情况。总的来说，本研究强烈表明，动力学模型的CH 4-CO-H-2-CO2的燃烧不应该被视为一个问题，在过去成功地解决了一劳永逸。由于反应参数对大多数现有测量的影响很小，因此这些参数仍然很不确定，因此确实需要进行更多针对这些参数的动力学实验。(C)2016燃烧研究所爱思唯尔公司出版All rights reserved.
In the present study, five detailed reaction mechanisms have been employed for simulating 530 ignition delay times involving mixtures containing methane, hydrogen, carbon monoxide and carbon dioxide. A novel concept, Reaction Significance Analysis (RSA), has been used for identifying those kinetic parameters which have the greatest influence on the disparities between a given set of experimental data and the model predictions. Overall, most mechanisms capture at best the combustion of biogas and display their poorest performance in relation to the combustion of bio-syngas. NUIG (a reaction mechanism developed at the National University of Ireland, Galway) proves to be the best choice for simulating the burning of bio-syngas, its imperfection notwithstanding. Generally, models tend to over-predict ignition delay times measured at the lowest temperatures. This effect is mostly related to the inhomogeneous behaviour of shock tubes under those conditions. Besides that, Reaction Significance Analyses revealed a correlation between poor modelling performance and reactions belonging to the subsystem HO2-H2O2. We identified situations where such chemical kinetic factors appear to play a role in inaccurate predictions. Overall, the present study strongly indicates that the kinetic modelling of the combustion of CH4-CO-H-2-CO2 should not be seen as a problem successfully solved in the past once and for all. There is a genuine need for more kinetic experiments targeting reaction parameters which remain widely uncertain owing to their weak influence on most available measurements. (C) 2016 The Combustion Institute. Published by Elsevier Inc. All rights reserved.