The chemical-kinetic mechanism of soot formation for the n-decane pyrolysis was comprehensively investigated from theoretical perspective. We found the formation of carbonaceous nanoparticle with a multi-layer closed cylindrical structure needs four processes including initial rings formation, PAH growth, particle nucleation via coalescence of PAH and particle growth by coagulation or surface reactions. The mechanisms of HACA, CAHM and CHRCR play crucial roles in the processes of the formation and growth of PAH molecules. In addition, the temperature effect was discussed and found the higher temperature can accelerate the formation of soot particle, which is in agreement with the experiment findings.

从理论的角度全面研究了碳黑形成正癸烷热解的化学动力学机理。我们发现具有多层闭合圆柱形结构的碳质纳米颗粒的形成需要四个过程，包括初始环形成，PAH生长，通过PAH聚结形成颗粒成核以及通过凝结或表面反应形成颗粒。HACA，CAMM和CHRCR的机制在PAH分子的形成和生长过程中起着至关重要的作用。另外，讨论了温度效应，发现较高的温度可以促进烟灰颗粒的形成，这与实验结果相吻合。