Mesoscale modelling of block copolymer systems

Abstract

This thesis is dealing with a set of physical phenomena occurring in various block copolymer systems and trying to understand them by means of computer simulation. In the course of the work Cell Dynamics Simulation (CDS) was implemented as a computer program and further developed when necessary. The choice of CDS is due to the fact that it is a simplest minimal model of the Ginzburg-Landau type and its ability to describe complex physical situations was debated. The thesis clarifies this issue by a systematic study of diblock copolymers subjected to the external influences such as electric field, shear flow, confining surfaces and nanoparticles. The thesis results prove that CDS can describe such complex phenomena rather well and therefore, is a complementary method to other more elaborate techniques. The thesis provides a ground for a future development of a tandem simulation where a very fast CDS method can be used as a precursor to more elaborate but slow techniques as, for instance, Dynamics Self-Consistent Field Theory.