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中文摘要：
在丁酸甲酯化学反应机理的基础上,添加了详细的NOx生成机理,得到包含214种物质和1 241个基元反应方程式的生物柴油机理。运用均质零维反应器模型,计算了燃烧过程中各基元反应的ROP（Rate of produc-tion,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,阐明了生物柴油燃烧过程中,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：生物柴油中的＂CH3OCHO＂基团促进了OH的生成,其反应过程中的中间产物CH3OCO促进了CH3的生成,其主要的中间产物HCO促进了H,HO2的生成,形成了能促进NOx生成的重要前躯体物质———OH,H,HO2和CH3,导致NOx排放偏高。
英文摘要：
Based on the mechanism of methyl butyrate chemical reaction,the biodiesel mechanism including 214 species and 1 241 element reactions was acquired by adding the detailed mechanism of NOx formation.By using the homogeneous zero-dimensional reactor model,the ROPs of all element reaction were calculated and the main equations of element reaction,which influenced the formation of intermediate product,were determined.,The migration process of oxygen and nitrogen,which was included in fuel or air,was clarified and the former substances of main intermediate product were analyzed through the ROP analysis.The results show that the CH3OCHO group promotes the formation of OH.CH3OCO is the intermediate product of CH3OCHO reaction,which promotes the formation of CH3.Then HCO is further formed during the reaction of CH3OCO,which promotes the formation of H and HO2.Finally,the important former substances,which are respectively OH,H,HO2 and CH3,that can promote the NOx formation are formed,which leads to the increase of NOx emisison.
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