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Photo Jan Forsman

Jan Forsman

Professor

Photo Jan Forsman

Simulations of latex particles immersed in dendrimer solutions.

Author

  • Martin Trulsson
  • Jan Forsman
  • Torbjörn Åkesson
  • Bo Jönsson

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