Dendritic polyelectrolytes as seen by the Poisson–Boltzmann–Flory theory
| Autor: | J. S. Kłos, J. Milewski |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
chemistry.chemical_classification
Quantitative Biology::Biomolecules Materials science General Physics and Astronomy 02 engineering and technology Poisson–Boltzmann equation 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Ion trapping Polyelectrolyte 0104 chemical sciences Ion Condensed Matter::Soft Condensed Matter chemistry Chemical physics Dendrimer Molecule Physical and Theoretical Chemistry Counterion Absorption (chemistry) 0210 nano-technology |
| Zdroj: | Physical Chemistry Chemical Physics. 20:17818-17828 |
| ISSN: | 1463-9084 1463-9076 |
| DOI: | 10.1039/c8cp02440e |
| Popis: | G3-G9 dendritic polyelectrolytes accompanied by counterions are investigated using the Poisson-Boltzmann-Flory theory. Within this approach we solve numerically the Poisson-Boltzmann equation for the mean electrostatic potential and minimize the Poisson-Boltzmann-Flory free energy with respect to the size of the molecules. Such a scheme enables us to inspect the conformational and electrostatic properties of the dendrimers in equilibrium based on their response to varying the dendrimer generation. The calculations indicate that the G3-G6 dendrimers exist in the polyelectrolyte regime where absorption of counterions into the volume of the molecules is minor. Trapping of ions in the interior region becomes significant for the G7-G9 dendrimers and signals the emergence of the osmotic regime. We find that the behavior of the dendritic polyelectrolytes corresponds with the degree of ion trapping. In particular, in both regimes the polyelectrolytes are swollen as compared to their neutral counterparts and the expansion factor is maximal at the crossover generation G7. |
| Databáze: | OpenAIRE |
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