自燃煤表面"活性基团"反应活性研究

煤自燃现象是威胁煤矿生产的重要原因，研究煤自燃微观机理对煤自燃的防治有极为重要的作用。“活性基团”是导致煤自燃的主要因素。通过计算研究，本文分析了芳香结构对“活性基团”反应活性影响程度，得出了在研究煤自燃微观反应过程中可以忽略芳香结构影响，用比较小的芳香类分子来代表煤分子表面结构的结论，为进一步研究煤自燃微观过程提供了依据。

Study on the Active Groups' Reaction Activeness on Self-ignition Coal

Self ignition is one of the most important reason that causes coal industry safety production hazard, and it is useful to discover the micro mechanism of self ignition of coal. It is the active groups that lead to self ignition of coal. By calculation, aromatic structures' influence to active groups' reaction activeness is discussed in this paper, and conclusions is drawn that coal's surface molecule structure can be replaced by small aromatic structure when studying self ignition process in micro world, which is the stepping stone to further research of self ignition of coal.