Synthesis and dissipative particle dynamics simulation of cross-linkable fluorinated diblock copolymers: self-assembly aggregation behavior in different solvents

Developing microstructures, such as low molecular aggregates, spherical micelles and multi-compartment micelles, is an expanding area of research in Materials Science. By applying an atom transfer radical polymerization (ATRP) process to cross-linkable fluorinated diblock copolymers and analyzing the data we are able to demonstrate the potential for developing films with different micro-structures for additional biological research. Applying the Dissipative Particle Dynamic (DPD) Method, Transmission Electron Microscopy (TEM) and Scanning Electron Microscopy (SEM) techniques to cross-linkable fluorinated diblock copolymers of (methyl methacrylate-co-hydroxyethyl methacrylate-co-butyl methacrylate)-b-2-(perfluoroalkyl)ethyl methacrylate (MMA-co-HEMA-co-BMA-b-FMA) we were able to analyze the structures and their relationships to the aggregation of various microstructure formations through the use of various solvents in the process. For the self-assembly of the cross-linkable diblock copolymer in solutions, the DPD simulation results are only in qualitative agreement with experimental data of aggregate morphologies and sizes. This suggests an improved approach to creating materials and methods necessary for studying microstructures in films used in other research areas. Our work examines whether using selective solvents can be easily extended to prepare aggregates with different morphologies, which is an effective shortcut to obtain films with different microstructures. DPD simulation can be considered as an adjunct to experiments and provides other valuable information for the experiment.