Numerical study on the chemical reaction kinetics of n-heptane for HCCI combustion process
Numerical study on the chemical reaction kinetics of n-heptane for HCCI combustion process
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DOI：
10.1016/j.fuel.2006.05.005
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发表时间：
2006-12
期刊：
影响因子：
7.4
通讯作者：
Zhaolei Zheng;M. Yao
中科院分区：
文献类型：
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作者：
Zhaolei Zheng;M. Yao
采用零维热力学模型和详细动力学模型对正庚烷的燃烧机理进行了研究。在低温反应条件下，主要的起始反应为NC 7 H16 +O2= C7 H15 -2+ HO 2和NC 7 H16 +O2= C7 H15 -3+ HO 2。正庚烷中的H原子主要通过OH和HO 2被夺取。第一次加氧和第二次加氧是低温支化的重要途径。高温反应分为蓝焰反应和热焰反应两个阶段。H2 O2分解控制的蓝焰反应主要是通过CH 2 O +OH=HCO+H2O和HCO+O2=CO+ HO 2反应将CH 2 O转化为CO的过程。热焰反应主要是由CO+OH=CO2+H反应将CO氧化为CO2的过程，其反应过程以H+O2=O+OH反应为主。HCCI燃烧可分为四个区域：完全燃烧区、发生低温反应和蓝焰反应的高CO排放区、仅发生低温反应的高CH 2 O排放区和失火区。
The combustion mechanism of n-heptane have been investigated using a zero-dimensional thermodynamic model coupled with a detailed kinetic model. At low temperature reaction, the main initial reactions are NC7H16+O2=C7H15-2+HO2and NC7H16+O2=C7H15-3+HO2. H-atom abstraction from n-heptane occurs primarily by OH and HO2. The first O2addition and the second O2addition are the most important paths for the low temperature branching. High temperature reaction includes two stages: blue-flame reaction and hot-flame reaction. Blue-flame reaction which is controlled by H2O2decomposition is mainly the process of the conversion of CH2O to CO by reactions CH2O+OH=HCO+H2O and HCO+O2=CO+HO2. Hot-flame reaction which is dominated by reaction H+O2=O+OH is mainly the process of the oxidization of CO to CO2by reaction CO+OH=CO2+H. There are four regions for HCCI combustion including: I complete combustion region; II high CO emissions region where low-temperature reaction and blue-flame reaction occur; III high CH2O emissions region where only low-temperature reaction occurs and IV misfire region.