Macromolecules, Vol.35, No.7, 2851-2858, 2002
Monte Carlo simulation of star polymer systems with the bond fluctuation model
Different systems of star polymers with 12 arms in a good solvent are investigated using a Monte Carlo algorithm with the bond fluctuation model in the dilute, semidilute, and concentrated regimes. We describe the equilibration process used for this particular type of system. Static properties of individual molecules such as the polymer sizes and asphericities are calculated. It is shown that the ratio of the star size to the size of a linear chain with the same number of units shows a noticeable variation with concentration. For dilute solutions, this ratio is in agreement with the analytical prediction for ideal star molecules. For concentrated solutions, however, it increases and approaches the simulation value for single molecules in their theta state (previously obtained with other model). Bead density profiles, together with individual and collective scattering functions, are also obtained for different concentrations, and the results are compared with predictions from the scaling theory. The impenetrability of the star cores is known to cause a discontinuity in the osmotic pressure manifested through a peak in the collective scattering functions corresponding to semidilute solutions near the overlapping concentration. We are able to detect the presence of this peak.