Biomedical subjects
Publications and source records attributed to David W Oxtoby.
This paper presents a density functional study of mixed amphiphile solutions. The amphiphiles are modeled using four to seven fused hard spheres where the connectivity is such that the amphiphiles have a proper head group. We present calculations of lamellar and vesicle density distributions, paying particular attention to the morphology of the bilayer structures.
The application of density-functional methods from statistical mechanics to the nucleation of crystals from the melt is described. Simple fluids such as metals, with sizes comparable with the range of their attractive forces, are compared with complex fluids such as colloidal suspensions and proteins dissolved in solution. A different mechanism for crystal nucleation is proposed in the latter case, in which density (concentration) changes before periodic crystalline order appears. This leads to a theoretical foundation for empirical observations on the 'crystallization window' in protein crystallization. Comparisons are made with the results of computer simulation via molecular dynamics.
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