The effects of pH, salt and bond stiffness on charged dendrimers
- Author(s)
- Sebastian Huißmann, Aaron Wynveen, Christos Likos, Ronald Blaak
- Abstract
We have performed molecular dynamics simulations of charged dendrimers with various charge distributions, and including both rigid and soft bonds between the monomers. Whereas the rigid bonds result in a shell-like structure, the soft bonds lead to a larger dendrimer size and a more homogeneous monomer distribution. The measured density profiles of counter-ions and co-ions are compared with those stemming from Poisson-Boltzmann theory. The latter is in very good agreement with simulations for the soft-bond model, whereas for rigid bonds, significant discrepancies arise caused by the fact that Poisson-Boltzmann theory neglects finite-size ion effects. The addition of monovalent salt has no significant influence on the behavior of the dendrimers.
- Organisation(s)
- Computational and Soft Matter Physics
- External organisation(s)
- Heinrich-Heine-Universität Düsseldorf
- Journal
- Journal of Physics: Condensed Matter
- Volume
- 22
- No. of pages
- 8
- ISSN
- 0953-8984
- DOI
- https://doi.org/10.1088/0953-8984/22/23/232101
- Publication date
- 2010
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 1030 Physics, Astronomy
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/06443262-f701-41d5-b19f-f79fb851b9ce