Calculation of the Micellar Structure of Polymer Surfactant Based on the Density Functional Theory

Takashi Uneyama; Masao Doi

doi:10.1021/ma0507746

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Calculation of the Micellar Structure of Polymer Surfactant Based on the Density Functional Theory

Takashi Uneyama·Masao Doi

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Abstract

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 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.

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Takashi Uneyama, Masao Doi. 2005-04-26. Calculation of the Micellar Structure of Polymer Surfactant Based on the Density Functional Theory. https://doi.org/10.1021/ma0507746

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