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.
Recently published studies
List of 5 publications
(5 currently shown)
Computer study of the solubilization of polymer chains in polyelectrolyte complex cores of polymeric nanoparticles in aqueous media
Coassembly of Poly(N-isopropylacrylamide) with Dodecyl and Carboxyl Terminal Groups with Cationic Surfactant: Critical Comparison of Experimental and Simulation Data
Conformational behavior of polymer chains of different architectures in strongly endothermic solvent mixtures: specific solvation effects
Modeling of Ionization and Conformations of Starlike Weak Polyelectrolytes
Computer Study of the Association Behavior of Gradient Copolymers: Analysis of Simulation Results Based on a New Algorithm for Recognition and Classification of Aggregates