Molecular Mechanics Study Of Tio <sub> 2 </ Sub> Adsorption On The Surface And Influence On The Reaction,

The titanium dioxide is in the photochemical catalysis material and it is very important and urgently awaits to study and one of application materials. It has the significant theory and the practical significance to its performance research. This article first obtains from the member mechnical analogy method to the titanium dioxide adsorption performance research serviceability and the feasibility, confirmed the molecular mechanics method to studies the above type member adsorptive power is the simple effective analysis tool; Next, by adsorbs in the titanium dioxide catalyst surface formaldehyde member oxidizing reaction took the research and the inspection object, has thoroughly analyzed the formaldehyde oxidizing reaction stage reactant, the intermediary product, the resultant response adsorption density from the microscopic catalytic reaction mechanism stratification plane to the entire oxidizing reaction influence.This article has excavated easily the classical method research chemistry question physical stage potential which is neglected by the human, and has carried on the beneficial attempt regarding the expansion member simulation method appraisal chemistry question scope.