Density-functional approach to nucleation in micellar solutions

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Abstract

The goal of this paper is to develop a theoretical model suitable for strong as well as weak amphiphiles, in which the explicit dual character of the amphiphile molecules is introduced by modeling them with two different force centers connected by a bond. The paper describes the basic model used, and gives the results of calculations for equilibrium phase behavior, planar interfaces, micelles, and vesicles. Focus is made in particular on possible transition states between stable and metastable structures and on nucleation.

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Talanquer, V., & Oxtoby, D. W. (2000). Density-functional approach to nucleation in micellar solutions. Journal of Chemical Physics, 113(16), 7013–7021. https://doi.org/10.1063/1.1288271

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