The formation and structure of nanoparticles containing non-polar polymer chains solubilized in interpolyelectrolyte complex (IPC) cores and the partitioning of non-polar chains between bulk solvent and IPC cores were studied by coarse-grained computer simulations. The choice of the model system was inspired by experimental results published by van der Burgh et al. (Langmuir, 2004, 20, 1073-1084). The dissipative particle dynamics (DPD) simulations reproduced the structure and basic features of co-assembled nanoparticles described by experimentalists well at the semi-quantitative coarse-grained level and revealed new properties of co-assembled particles. The simulated co-assemblies were used as reference systems for the solubilization studies. Their results show that non-polar polymers (electrically neutral and compatible with core-forming chains) solubilize easily in IPC cores. They intermix with polyelectrolyte blocks in cores and do not hinder, but, on the contrary, they slightly promote the electrostatic co-assembly.

Department of Physical and Macromolecular Chemistry Faculty of Science Charles University Prague Hlavova 2030 128 40 Prague 2 Czech Republic

References provided by Crossref.org

Changes in Ion Concentrations upon the Binding of Short Polyelectrolytes on Phospholipid Bilayers: Computer Study Addressing Interesting Physiological Consequences

DPD Modelling of the Self- and Co-Assembly of Polymers and Polyelectrolytes in Aqueous Media: Impact on Polymer Science

Solubilization of Charged Porphyrins in Interpolyelectrolyte Complexes: A Computer Study