Construction and validation of reduced reaction mechanism of natural gas
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摘要:
采用6种详细反应机理对多工况条件下天然气的着火延迟时间、层流燃烧速度以及氧化过程中主要组分摩尔分数进行了数值计算,并与相应试验数据进行了对比分析。结果表明:相比于其它五种详细反应机理,Aramco 2.0机理在天然气的着火延迟、层流燃烧以及氧化特性的预测上精度最高。基于Aramco 2.0机理,通过路径敏感性分析、生成速率分析与反应路径分析,形成了天然气(CH4/C2H6/C3H8)的初始简化机理(包含21种组分、150个反应);同时,基于解耦法,耦合初始简化反应机理中的C1~C3反应机理、H2/CO详细反应机理和NOx简化反应机理,构建了天然气的简化反应机理(包含40种组分、189个反应)。通过与相应试验数据的对比发现,该简化反应机理能很好的预测多工况条件下天然气的着火延迟、层流燃烧与氧化特性。
Abstract:The ignition delay time, the laminar combustion speed of natural gas and the main species concentrations in the natural gas oxidation process were simulated by six detailed reaction mechanisms, and also compared with corresponding experimental data. The results showed that, compared with the other five detailed reaction mechanisms, Aramco 2.0 mechanism had the highest accuracy in predicting the ignition delay, laminar combustion and oxidation characteristics of natural gas. Based on Aramco 2.0 mechanism, an initial reduced reaction mechanism (including 21 species and 150 reactions) of natural gas (including CH4, C2H6 and C3H8) was formed using the path sensitivity analysis, production rate analysis and reaction path analysis. At the same time, based on decoupling method, through combining the reaction mechanism of C1−C3 in the initial reduced reaction mechanism with the detailed reaction mechanism of H2/CO and the reduced reaction mechanism of NOx, the reduced reaction mechanism of natural gas was constructed (including 40 species and 189 reactions). Compared with the corresponding experimental data, it was found that the reduced reaction mechanism can well predict the ignition delay, laminar combustion and oxidation characteristics of natural gas under various conditions.
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表 1 反应组分编号表
Table 1. Reaction component numbering table
组分编号 反应组分 组分编号 反应组分 1 CO 26 CHOCHO 2 CO2 27 C2H3OOH 3 CH3 28 C2H3OO 4 CH2 29 CHCHO 5 CH2(S) 30 C2H2 6 C 31 C2H 7 CH 32 H2CC 8 CHV 33 C2H5OH 9 CH3O2 34 C2H5O 10 CH2O2H 35 PC2H4OH 11 CH3OH 36 SC2H4OH 12 CH3O 37 C2H4O2H 13 CH2OH 38 C2H4O1-2 14 CH2O 39 C2H3O1-2 15 HCO 40 CH3CHO 16 HCOH 41 CH3CO 17 HO2CHO 42 CH2CHO 18 HOCH2O 43 HO2CH2CO 19 O2CHO 44 C2H3OH 20 HOCHO 45 C2H2OH 21 OCHO 46 CH2CO 22 C2H5 47 HCCO 23 C2H5O2 48 HCCOH 24 C2H4 49 IC3H7 25 C2H3 50 NC3H7 -
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