화학공학소재연구정보센터
Macromolecules, Vol.33, No.21, 8043-8049, 2000
Monte Carlo studies of dendrimers. Additional results for the diamond lattice model
Additional results have been determined for a previously developed model of dendrimers constructed on the diamond lattice. Accurate results are presented through G = 8 generations, and some suggestive results at G = 9 and G = 11 are also reported. The hydrodynamic radius and intrinsic viscosity have been computed according to a Monte Carlo technique that exploits analogies between transport physics and the physics of random walks. Accurate radial density profiles, pair correlation functions, and particle scattering functions are also reported. Ratios of the hydrodynamic and, gyration radii change from values expected for linear chains at small G to values expected for spheres at large G. The intrinsic viscosity passes through a maximum at G = 6. Radial density profiles indicate extensive back-folding in this model, with end groups dispersed throughout the molecule. The particle scattering functions are in good qualitative agreement with neutron scattering experiments.