Complex polymer systems

theory and simulation


Research activity of the group focuses on the conformational behavior and self-assembly of polymers, copolymers and particularly polyelectrolytes in bulk solutions and in confining media. Computer modeling of the behavior of systems important for chromatography, biomedical and environmental applications and for various nanotechnologies represent major part of the research. Nevertheless, experimental studies (mostly by scattering and spectroscopic methods) are also carried out in cooperation with colleagues from the Soft matter group and with collaborators from the Academy of Sciences of the Czech Republic and from abroad.

People of the group

Karel Procházka

prof. RNDr., DrSc.

Xiu Wang

Postdoctoral Fellow

Research topics

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 ...

Electrostatic co-assembly

In polyelectrolyte systems, the long-range Coulomb interactions dominate the behavior at large scales. Their competition with the short-range interactions between hydrophobic chain units and water molecules results in unique properties ...

Amphiphilic copolymers under geometrical confinement

The confinement effects complicate significantly the polymer behavior, however they simultaneously provide opportunities to generate novel nanostructures useful for advanced applications such as nanocontainers or molecular templates. Detailed knowledge of ...

Selected Publications

Open Positions:

PhD and MSc Projects

Experimental topic offered to B.Sc., Mgr. and PhD students and to postdocs:

Experimental studies of physicochemical principles of the formation and of properties of polymeric nanoparticles based on self-assembly of amphiphilic copolymers and on co-assembly of polyelectrolytes with the oppositely charged surfactants ...

Computer-based research offered to B.Sc., Mgr. and PhD students and to postdocs

Computer-based simulations aimed at the elucidation and molecular interpretation of phase equilibria and the conformational behavior of frustrated polymers under confinement, and at the understanding of the self-assembly and co-assembly ...

Complex polyelectrolyte solutions (mesoscopic simulations of their electrostatic assembly and their interaction with surfaces)

Polyelectrolytes and especially the amphiphilic polyelectrolyte copolymers are important water-soluble multi-stimuli-responsive polymers. While the commodity polyelectrolytes meet the requirements for cheap, environment friendly, and non-toxic components of various wash and ...

Stimuli-responsive polymers. Dissipative particle dynamics study of the modification of properties and architectures of co-assembled polyelectrolyte nanostructures by introduction of functionalized groups.

Project supervisor: Assoc. Prof. Zuzana Limpouchová

Amphiphilic copolymers and polyelectrolytes respond to external stimuli and form various nanostructures in complex aqueous solutions containing other species. Chemical modification of hydrophilic, hydrophobic ...

Amphiphilic polymer solutions under confinement: the interplay and competition of entropic, enthalpic and hydrodynamic interactions; computer simulation study.

The copolymer behavior in a physically confined environment is influenced not only by the competition of entropy to enthalpy of chains as in homogenous solutions, but also by the interaction ...