Jan Forsman
Professor
Simulations of latex particles immersed in dendrimer solutions.
Author
Summary, in English
In this work, we present Monte Carlo simulations of mixtures containing negatively charged latex particles and positively charged dendrimers. We focus on the interaction between two latex particles as salt concentration, dendrimer dose, and generation number are varied. Interaction free energies and corresponding stability ratios are calculated. Minimal stability is found near the isoelectric point, i.e., where the amount of adsorbed dendrimer charge matches the charge of the latex particles. Away from the isoelectric point, the stability increases as the latex particles get more and more under- or overcompensated, an increase that is more steep on the overcompensated side. Increasing the dendrimer generation leads to a more "patchy" surface. This heterogeneity is particularly relevant close to the isoelectric point. Given the relative simplicity of the model, the simulation results are in surprisingly good agreement with the experimental data.
Department/s
- Computational Chemistry
Publishing year
2009
Language
English
Pages
6106-6112
Publication/Series
Langmuir
Volume
25
Issue
11
Document type
Journal article
Publisher
The American Chemical Society (ACS)
Topic
- Theoretical Chemistry (including Computational Chemistry)
Status
Published
ISBN/ISSN/Other
- ISSN: 0743-7463