The Experiment And First Principle Calculation Based On KH550 Modified Aluminum/Polyoxymethylene Interpenetrating Phase Composites

The composite materials of Interpenetrating network structure is a new field where the researchers have paid more and more atteion in decades. Each phase of this composite material is of respective three-dimensional continuous network structure which can keep the characteristics of each phase. Thereby it seems possible to obtain multi-functional composite materials.The overall performance of composite materials is not only decided by matrix and reinforcement themselves, but also affected by their interfacial bonding situation. Therefore,this article was prepared by the use of sophisticated technology solutions and optimized the interface design that is based on the interfacial bonding mechanism of composite materials, in order to achieve effective control of the mechanical properties of the composites. It is of great guiding significance for the study of the interface and performance of Aluminum/POM dimensional interpenetrating composites and the subsequent development of the new materials.In this paper, it uses Aluminum and POM as raw material and adopts the injection molding prepared the Aluminum/POM dimensional interpenetrating composites and studies the modification mechanism of aluminum surface where treated by the coupling KH550, the combination between KH550 and POM, as well as the mechanical properties affects on the Aluminum/POM dimensional interpenetrating composites after treatment of KH550.Combining the First-principles calculation method of atomic and electronic scales, it discusses the KH550's modification mechanism on the surface of Al, as well as the microscopic interfacial behavior between Al and POM, hoping to build relevant model that includes interfacial bonding strength and mechanical properties of composite materials.Meanwhile, the Fourier transform infrared spectroscopy?FT-IR? and scanning electron microscopy?SEM? are adopted seperately to investigate the structural change of the aluminum surface and interfacial binding of composites, which Systematiclly studied the impact and the law of surface modification on mechanical properties of composite materials.In order to verify the interfacial behavior of composite materials Al/POM, it uses the irst-principles calculation method to research Al's crtstal structure and its basic physical properties. Pure Al is easy to react with H₂O and O₂ in the atmosphere, so it also studied the adsorption and dissociation of H₂O and O₂ on the surface of Al. The results showed that: H₂O stably adsorbs at the top-bit of Al?111?'s surface, but O₂ will automatical dissociate when itabsorps on the surface of Al?111? and the dissociated O atoms adsorbed steadily at the fcc-bit on Al?111?'s surface. In addition, it is found that the dissociation of water reacts easier on the surface with pre-absorbed oxygen atoms and is easier to form hydroxyl groups on its surface.On the basis of clear basic physical properties of metals Al, it uses first-principles calculation method to do further investigation on microscopic interfacial bonding behavior of Al/POM composites. The results show: the presence of the Al surface hydroxyl groups helps the silicon alcohol transform from physical adsorption to chemisorption, which greatly enhances the interface bonding strength of silanol with the Al; Electronic structure analysis shows: The reason why hydroxyl groups improve silanol's modification effec on the surface of Al, mainly dues to the effect between the hydroxyl groups and O?s??p? orbital electron in silanol; the combination between POM and silanol is owing to that silane coupling agents can keep the metal substrate wet, which helps the polymer POM automatically fully extends on the metal substrate surface to achieve effective binding of the interfaces.Based on the mechanical properties, FT-IR detection results, the paper analyses the infuence mechanism of the interfacial bonding towards mechanical properties system, which is a good explanation of the impact on the mechanical properties of composites by the interface strength and also makes the inner connections between them. The results of this study will provide important guidance for interface design and performance optimization of metal / polymer composite materials.