The Research On Defect Formation Mechanism And Adsorption Property Of Clay Minerals In Soft Rock

In the process of resources exploitation in deep mining, the interaction between softrock and water caused large deformation and destructive landslide, the naturemachanism of these is the interaction between the soft rock and water molecules,resulting in a significant expansion large deformation. The macroscopic physical andchemical property of soft rock and determined by its microstructure. In this dissertation,we used first-principles calculation methods to study the micro-electronic structure ofthe clay minerals to understand physical and chemical properties of clay mineralsdeeply. We summarized the mechanism of defects doping in the kaolinite, analysed theformation energy of defects, the electron transition energy level and other physicalquantities, and revealed the influence of defects on the physical and chemicalproperties of clay minerals structure, charge density and other physics quantities.Finally, we studied the microscopic mechanism of the interaction between clayminerals and water. The results showed that the changes of energies and other physical,chemical information before and after water adsorbed on clay minerals caused theproperties of soft rock, also resulting in a series of deep soft rock roadway deformation.The results of the project is helpful to solve large deformation of mine, design engineering of deep mine, a series of soft rock engineering mechanics problems, alsoproviding an important theoretical basis and a role in guiding.