The effects of pH, salt and bond stiffness on charged dendrimers

Autor(en)

Sebastian Huißmann, Aaron Wynveen, Christos Likos, Ronald Blaak

Abstrakt

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(en)

Computergestützte Physik und Physik der Weichen Materie

Externe Organisation(en)

Heinrich-Heine-Universität Düsseldorf

Journal

Journal of Physics: Condensed Matter

Band

22

Anzahl der Seiten

8

ISSN

0953-8984

DOI

https://doi.org/10.1088/0953-8984/22/23/232101

Publikationsdatum

2010

Peer-reviewed

Ja

ÖFOS 2012

1030 Physik, Astronomie

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/06443262-f701-41d5-b19f-f79fb851b9ce