CAN THE CRYSTALLIZATION OF CONJUGATED POLYMERS BE TAKEN INTO ACCOUNT IN SIMPLE MESOSCOPIC MODELS ?

Abstract

The problem is considered of constructing coarse-grained models of matrices of conjugated polymers with regard to their crystallization. The performed simulation within the framework of the method of dissipative particle dynamics shows that to simulate the crystallization process, flexible-semi-flexible chains with thermodynamically incompatible blocks can be used.

Keywords

• hydrogel
• conjugated polymers
• crystallization
• mesoscopic modeling