Calculation of the micellar structure of polymer surfactant on the basis of the density functional theory

Amphiphilic block copolymer solutions form various micellar structures, including micelles and vesicles. We applied the density functional theory for block copolymers, which we have proposed, to amphiphilic block copolymer systems. The 3-dimensional (3D) simulation for AB diblock copolymer solutions and AB diblock copolymer/A homopolymer blends has been done, and it is shown that the spherical micelles, cylindrical micelles, and spherical vesicles are formed. It is also shown that the phase diagram for AB diblock copolymer/A homopolymer blends qualitatively agrees with the phase diagram obtained by the experiment.