Research On High Strength Nanocomposite Hydrogels

Hydrogel polymer materials have been affirmed in many areas of life, but the application range of general gel material is limited because of its low mechanical strength. Polymer matrix nanocomposites have good mechanical thermodynamic properties and related features. But the detailed enhancing mechanism of nano-fillers was not yet clearly revealed. With the progress of computer science and technology,molecular dynamics simulation research has attracted more and more researchers. In this work, the polymer materials and the graphene nanomaterial hydrogels were calculated and simulated, and the results were analyzed to provide theoretical guides for further experimental studies.MS (Materials Studio) software was used to construct two-dimensional monolayer graphene and multi-layer graphene nano-filler, and the polyacrylic acid hydrogel with three-dimensional network structure as the initial model was studied. And then graphene enhanced gel materials were prepared for experimental verification. Main jobs of this work include:1. The establishment three-dimensional initial unit cell of polyacrylic acid model was calculated in geometric energy optimization and molecular dynamics simulation to obtain a reasonable unit cell model. And then the mechanical properties of the unit cell was calculated to obtain the Young's modulus, Poisson's ratio, shear modulus and other related values of the model. Multiple models of polyacrylic acid unit cell were established to reduce the calculation error, and the accurate theoretical value was obtained by calculating the mean value.2. Then the effects of water content on gel density, volume and related mechanical properties were discussed.3. The nano-composite hydrogels with two-dimensional single layergraphene were constructed. The established model was calculated in geometric energy optimization and molecular dynamics simulation to obtain The Young's modulus,Poisson's ratio, shear modulus and mechanical properties of materials.4. Multilayered GO/PAA nanocomposite hydrogels were prepared and calculated in the same way with the single layer GO/PAA composite gel. Then the above two kinds of calculation results were compared.5. GO/PAA nanocomposite hydrogels was prepared. Related characterization and experimental test of the hydrogels were carried out.