Polymer gel has three-dimensional network structure consisting of polymers. Hydrogel are used in various products such as medical supplies, and many possibilities of the applications are expected in the future. Since it is difficult to observe the gel formation process and structure of the tetra-polyethylene glycol (tetra-PEG) gel in the experiments, we perform molecular simulation.
We construct a coarse-grained model of the tetra-PEG for our molecular dynamics simulation. Extending Hashimoto’s model consisting of five parts, we use a model of nine parts. We use Lennard-Jones potential, spring potential and angle potential. Based on the results of such simulation and comparison with the results of study by Hashimoto, we discuss the gel formation process and structure of the tetra-PEG gel.
The state before the reaction for the case of three hundred monomers is shown.