Self-consistent field theory for diblock copolymers grafted to a sphere

Vorselaars, Bart, Kim, Jaeup U., Chantawansri, Tanya L. , Fredrickson, Glenn H. and Matsen, Mark W. (2011) Self-consistent field theory for diblock copolymers grafted to a sphere. Soft Matter, 7 (11). pp. 5128-5137. ISSN 1744-683X

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An efficient numerical self-consistent field theory (SCFT) algorithm is developed for treating structured polymers on spherical surfaces. The method solves the diffusion equations of SCFT with a pseudo-spectral approach that combines a spherical-harmonics expansion for the angular coordinates with a modified real-space Crank–Nicolson method for the radial direction. The self-consistent field equations are solved with Anderson-mixing iterations using dynamical parameters and an alignment procedure to prevent angular drift of the solution. A demonstration of the algorithm is provided for thin films of diblock copolymer grafted to the surface of a spherical core, in which the sequence of equilibrium morphologies is predicted as a function of diblock composition. The study reveals an array of interesting behaviors as the block copolymer pattern is forced to adapt to the finite surface area of the sphere.

Keywords:self-consistent field theory, AB diblock copolymers, Nanoparticle
Subjects:F Physical Sciences > F170 Physical Chemistry
F Physical Sciences > F320 Chemical Physics
F Physical Sciences > F162 Polymer Chemistry
Divisions:College of Science > School of Mathematics and Physics
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ID Code:18227
Deposited On:07 Aug 2015 12:32

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