Study On Mechanism Of Coal Oxidation At The Preliminary Physes Of Coal Spontaneous Combustion

Nowadays the oxidation of coal is well researched by many scholars in different ways.They studied the mechanism of coal spontaneous combustion from different expe–rimentation.But the study of the start microcosmic reaction mechanism of coal molecular is a few.With the development of computer technique, the chemistry expands faster. Chemistry academic calculation is more and more important in daily researches.This makes it possible to study the start oxidation mechanism of coal spontanous fire .This article studies the start oxidation mechanism of coal spontaneous fire ,especially the main effects—Active groups .First,by Gaussian-03W quantum chemistry calculational software, simulate oxidation process of active groups,which is of six kinds. Second,by TG-DTA,analyze the effects of the process on the start oxidation mechanism,mainly on the area of heat,wheight,and etc. Through this, we get some conclusion about start oxidation mechanism of coal spontaneous combustion.Finally,test that by engineering experiments.Through this study,we get the conclusions about air borning and such on.what is more,support new way to study the mechanism of coal spontaneous combustion.