Monte Carlo simulation of morphologies of self-assembled amphiphilic diblock copolymers in solution

The Monte Carlo method has been applied to simulate the process of the self-assembling of amphiphilic diblock copolymers in a selective solvent. The simulations illustrated that the aggregates morphologies of A-b-B diblock copolymers in solution strongly depend on the length of corona-forming segments, i.e., with the decrease of the corona-forming segments, the transition of spherical micelles to rodlike aggregates occurs, which are in accord with the experimental results of Eisenberg and co-workers [Science 268, 1728 (1995); Macromolecules 32, 2239 (1999); 31, 3509 (1998); 29, 6359 (1996); 31, 9399 (1998)].