Molecular Simulation And Application Of The Organic Silicone

Molecular simulation is a new method that studies the structure and propertiesof polymer. When designing molecules, the cycle would be shorter and its costwould be lower. Organic silicone resin is one kind of half-inorganic cross-linkingpolymer. As the organic group are connected to the atom Silicon, the organicsilicon resin has many excellent physical and chemical properties that differ fromcarbon-based polymers. The coating material that based on silicone resin has beenwidely used in electrical and electronic industries。Based on the molecular simulation of synthesizing the silicone resinprepolymers, this paper studies the establishing of the model of organic siliconeresin crosslinking system, and confirms the validity of the model. Then the glasstransition temperature of the crosslinking system is forecasted by the way of themolecular dynamics simulation method. Finally, through the experiments, theorganic silicon resin is synthesized while its applications as wear-resisting coatingare also studied.The major results obtained in the study include as follows:1. Based on the two monomers of TEOS and METOS, the molecularsimulation model of organic silicone resin prepolymers crosslinking system isfounded. Because the research object is the crosslinking system, references are solimited that it is rather difficult to build a reasonable modle. In this paper, with themethod from monomer to single to crosslinking network, the author constructed thechemical bonds manually and finally formed the prepolymers crosslinking systemof organic silicon resin as the degree of polymerization was160, and then verifiedits validity.2. The select of the system size and the nonbonding force when constructing amodel have been analyzed. A proper key force and the right degree ofpolymerization have also been chosen. Then glass transition temperature of theconstructed system can be predicted by the change of its density and the specificvolume. Influence factors of the glass transition temperature have also beenanalyzed.3. According to the relevant simulation parameters and the predicted glasstransition temperature, organic silicone coating has been made by the hydrolysis and polycondensate of TEOS and MTEOS. The coating has better repairing effecton defects of the optical resins surface. Meanwhile, this paper also studies theinfluence of compound solvent on the coating and repair performance of thecoating.