Benchmarking a self-consistent field theory for small amphiphilic molecules
Thompson, Russell B.
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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.
Cite this work
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