Monte Carlo simulation of the phase behavior of model dendrimers Academic Article uri icon


  • The phase behavior of lattice model dendrimers of generations from 2 to 5 in solution was studied using grand canonical Monte Carlo simulations. The critical properties were calculated using multihistogram reweighting techniques combined with mixed field finite-size scaling. Power law exponents were obtained for the critical volume as well as for the dendrimer radius of gyration. Significant differences in these exponents occur compared to linear molecules. A systematic decrease of the critical volume exponent with the generation and the molecular weight was observed. A decrease of the power law exponent for the radius of gyration with respect to the molecular weight at the critical conditions is also reported. The phase coexistence envelopes of dendrimer-solvent mixtures were calculated. Finally, the local molecular structure and the local density profiles calculations indicate more compact molecules for higher generation dendrimers. 2006 American Chemical Society.

published proceedings


author list (cited authors)

  • Rissanou, A. N., Economou, I. G., & Panagiotopoulos, A. Z.

citation count

  • 16

complete list of authors

  • Rissanou, Anastassia N||Economou, Ioannis G||Panagiotopoulos, Athanassios Z

publication date

  • September 2006