Benchmarking a self-consistent field theory for small amphiphilic molecules
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A minimalist self-consistent field theory for small amphiphilic molecules is presented. The equations for this model are less involved than those for block copolymers and are easily implemented computationally. A new convergence technique based on a variant of Anderson mixing is also presented which allows the equations to be solved more rapidly than block copolymer self-consistent field theory. The computational speed up and simplicity of equations result from a lack of configurational degrees of freedom in the amphiphilic molecular model. The omission of polymeric flexibility leads to qualitatively different predictions compared to known diblock copolymer behaviour.
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Russell B. Thompson, T. Jebb, Y. Wen (2012). Benchmarking a self-consistent field theory for small amphiphilic molecules. UWSpace. http://hdl.handle.net/10012/10308