Simulations of latex particles immersed in dendrimer solutions.
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.
Trulsson
Martin
M
Theoretical Chemistry, Chemical Centre, Lund University, P.O. Box 124, S-221 00 Lund, Sweden. Martin.Trulsson@teokem.lu.se
Forsman
Jan
J
Akesson
Torbjörn
T
Jönsson
Bo
B
D003198:Computer Simulation; D050091:Dendrimers / Q000737:chemistry*; D007840:Latex / Q000737:chemistry*; D008956:Models, Chemical; D009010:Monte Carlo Method; D010316:Particle Size; D012996:Solutions; D055672:Static Electricity
D050091:Dendrimers; D007840:Latex; D012996:Solutions