Complex polyelectrolyte solutions (mesoscopic simulations)

Polyelectrolytes and especially polyelectrolyte amphiphilic copolymers are stimuli multi-responsive and usually water-soluble. So, they meet today requirements for cheap, environmentally friend, and non-toxic materials for smart applications in medicine, technological and biochemical applications. Their self assembly and co-assembly with other species (surfactants, other polymers or nanoparticles) belong to the mainstream experimental studies and so their theoretical and especially simulation studies are very useful and needed as they are able to evaluate experimentally inaccessible physical quantities and model experimentally expensive setups. We use dissipative particle dynamics and Monte Carlo methods to investigate their properties, particularly to interpret results of our colleagues who perform various experiments.



The snapshots which illustrate the co-assembly of poly(N-isopropylacrylamide), with dodecyl (blue) and carboxyl (yelow) terminal groups with cationic (grey-red dimers) surfactant. For more details see: Fanova at al. Macromolecules