Tuning The Mechnical Properties Of Polymer Nanocomposites Filled With Grafted Nanoparticles By Varying The Grafted Chain Length And Fexibility

Nano-particles(NPs)filled with polymer nanocomposites(PNCs)have excellent mechanical,electrical and thermal properties.In most cases,we generally believe that nanoparticles are homogeneous dispersions to achieve better physical properties such as lower Permeability and enhanced mechanical strength.On the contrary,in order to obtain excellent thermal conductivity and conductivity,we focus more on the development of a specific network structure of the nanoparticle self-assembly structure.Therefore,we need certain means and methods to achieve controllable nanoparticle dispersion or specific aggregation structures.One of the effective methods is to homogeneously graft the nanoparticles with a short polymer chain,due to the interaction between the enthalpy of the interaction of the nanoparticles and the grafting entropy of the grafted polymer.However,previous studies have focused on the spatial distribution of the grafted nanoparticles in the polymer matrix and the influence of the structural parameters,and few have committed to the relationship between the specific self-assembled structures and the mechanical properties.Our goal is to simulate the various phase structures of all grafted nanoparticles that may be self-assembled,and provide some predictions and guidance for the construction and mechanical properties of nanocomposite composites for specific applications.Our main job is as follows:We are researching a way of constructing a self-assembly structure for nanoparticles added in polymer matrix(in forms of sheets,lines,cylinders,etc.),and by varying interactions between nanoparticles as well as chain numbers and chain lengths,we build up phase graphs regarding relationship between structure and relevant variants;We are characterizing mechanical properties of according self-assembly structures formed by nanoparticles,so that to prove the fact that mechanical properties are enhaced compared with the situation of pure aggregation of nanoparticles;We are utilizing full-atomic model to extend our simulated model into a real system,for example,filling small resin molecules or carbon sheets into rubber,with the purpose of characterizing mechanical properties and aggregation structures.We are building large scale resin-rubber composites simulational system to be compared with experimental system,and by building up the correct simulation method,we are further utilizing this for future experimental research.