| In order to further study of coal seam water infusion outburst prevention mechanism, thispaper on the domestic and foreign scholars on prevention of coal and gas outburst coal seamwater injection mechanism on the basis of the study, using quantum chemical calculation methodin the B3LYP/6-31G*(6-31G (d)) level on the molecular characteristics of structure andmethane in coal and water molecules interaction for research, with the theory of the atom in themolecule and the theory of natural bond orbital theory to analyze the results, so as to explore themicroscopic mechanism of coal seam water injection. Studies shows that molecule ofbenzaldehyde in the class structure of coal rings interaction between structural and methane andwater molecules stronger than its effect and methane molecules separate, resulting in a molecularstudy on the effect of interaction of coal seam water infusion on coal and gas. From amicroscopic point of interpretation can boost coal seam infusion surface desorption of gas, but atthe same time water will make coal in coal gas desorption of surface reaches a steady state,making the surface of coal gas desorption of no large nor fast, so as to achieve prevention role. |
