Brownian Dynamics Simulations on the Self-Assembly Behavior of AB Hybrid Dendritic-Star Copolymers

C Georgiadis and O Moultos and LN Gergidis and C Vlahos, LANGMUIR, 27, 835-842 (2011).

DOI: 10.1021/la104188q

The micellization behavior of hybrid dendritic star copolymers with solvophilic dendritic units is studied by means of Brownian dynamics simulations. The critical micelle concentration and the micelle size and shape are examined for different solvophobic/solvophilic ratios r as a function of the number of the dendritic and linear arms. Hybrid dendritic star copolymers with one dendritic and up to three solvophobic linear branches form spherical micelles with preferential aggregation number. Those with two dendritic arms and three solvophobic branches form micelles with wide aggregation numbers only for small values of r. For hybrid dendritic star copolymers with three dendritic arms and two or three solvophobic linear arms, micelles with wide aggregation numbers are also formed but for slightly higher values of r. Our results for the aggregation number are compared with existing results of other architectures obtained at the same temperature, and an inequality for the aggregation number is proposed.

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