Molecular Dynamic Simulation of Free Polymer Chain diffusion into a Regular network.

Core-shell polymer gels are a type of smart material that have received increasing attention in the recent years due to their application in medical field. Here we present a coarse-grained MD simulation study of the inter-diffusion of symmetric system of polymer gel (core) and polymers (shell). We discuss the affect of polymer concentration on inter-penetration and its effect on polymer orientation near the gel-polymer interface. A consequence of this is also seen on the diffusion constant on polymers near gel-polymer interface. Further we extend our study to understand the inter-facial properties like inter-facial width and inter-facial tension by varying the concentration of diffusing polymers.