乙醇燃烧过程中氧和氮的迁移历程分析

摘要

Based on the mechanism of ethanol chemical reaction ,the ethanol mechanism including 64 species and 388 elementa‐ry reactions was acquired by adding the detailed mechanism of NOx formation .By using a zero‐dimensional single zone HCCI combustion engine model in Chemkin‐Pro software ,the rate of production (ROP) coefficient for each ethanol elementary reac‐tion during combustion was calculated and then the equations of main elementary reaction that influenced the intermediate prod‐ucts were determined .According to the results of ROP analysis ,the migration process of oxygen and nitrogen in the air and ox‐ygen in the fuel during ethanol combustion was explained clearly and the precursor substances of intermediate products were an‐alyzed .The results show that ethanol and the intermediate products produced in the combustion process promote the formation of HCO ,H and C2 H3 .Then the important precursors such as OH and O produce ,the formation of NOx accelerates so that the NOx emission is higher .%在乙醇详细化学反应机理的基础上，添加了NOx的详细机理，得到包含64种组分和388个基元反应的乙醇机理。运用Chemkin‐Pro软件中的零维单区内燃机HCCI燃烧模型，计算了乙醇燃烧过程中各基元反应的反应速率（ROP）系数，确定了影响各中间产物生成的主要基元反应方程式。通过ROP分析，阐明了乙醇燃烧过程中，燃料中的氧，空气中的氧、氮的迁移演变历程，对主要中间产物的前躯体物质进行了分析。研究结果表明：乙醇及其燃烧过程中产生的中间产物促进了HCO，H，C2H3的生成，形成了能促进NOx生成的重要前躯体物质OH和O，导致NOx排放偏高。