Research On The Mechanism Of Oxygen Adsorption In Coal Oxidized Spontaneous Combustion

Coal spontaneous combustion is the significant disaster to mine safety,the indirect loss that it creates is inestimable. The coal profession must invest large amount fund to use in the fire governing every year. The article was about the reach on the adsorption mechanism of oxygen at the coal spontaneous combustion of low-temperature oxidation stage. It selected sample which came from different region and different coal step,studied coal molecular structure in application of the infrared spectrum technology and established the coal molecular's chemical constitution model. By using the calculation method of quantum chemistry density functional,it proved that the coal molecular structure established was correct. In the application of quantum chemistry method ,it studied the adsorption process of coal and oxygen from the microscopic aspect ,and obtained the front track energy of coal molecular and oxygen molecular to reflect the ability of the adsorption of coal molecular and oxygen molecular ,as well as the contribution to the front track electronic cloud by each of the composition atoms,and obtained contribution of the side chain adsorption to the coal oxidized spontaneous combustion which is bigger than benzene ring,and obtained the physisorption mechanism of coal to the oxygen at the coal spontaneous combustion of low-temperature oxidation stage. It provided the basic theory to the prevention of coal spontaneous combustion.