中文摘要：

以正庚烷和甲苯作为柴油燃料替代混合物,构建了1个包含多环芳香烃（PAHs）的柴油燃料替代混合物燃烧化学动力学机理,PAHs的生成考虑到5个苯环。该机理包括153种组分,697个基元反应。在激波管、正庚烷预混火焰和均质充量压燃着火发动机条件下对该机理进行了验证,结果表明构建的机理在HCCI燃烧方面的预测性能是可靠的,可以进一步简化,进而为CFD多维模型与化学反应动力学模型相耦合计算燃烧和排放提供了可行的途径。

英文摘要：

Based on the diesel surrogate fuel （n-heptane and toluene）, we develop a new kinetic mechanism of diesel surrogate fuel included polycyclic aromatic hydrocarbon （PAHs） formation and growth of up to five aromatic rings. The new mechanism included 153 species and 697 reactions. We compare it with various experimental data available in the literature including shock tube, n-heptane premixed flames and homogeneous charge compression ignition（HCCI） engine, and the results show the good performance for HCCI combustion prediction by this new mechanism. The presented mechanism can be used as the basis for further reductions and applied the combustion and emission simulation by coupling chemical reaction kinetics model with computational fluid dynamics model in internal combustion engines.