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Phys. Rev. E 62, 7147–7154 (2000)

Aggregation models at high packing fraction

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Pedro Tarazona1,2, Daniel Duque1, and Enrique Chacón3
1Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain
2Instituto Nicolás Cabrera, Universidad Autónoma de Madrid, E-28049 Madrid, Spain
3Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, E-28049 Madrid, Spain

Received 28 June 2000; published in the issue dated November 2000

Dense phases of micellar aggregates have strong molecular correlation at two different levels: that of the molecules forming a micelle and that between micelles, leading to a possible phase transition from a micellar fluid to a micellar crystal. The global phase diagram may also include lamellar and other dense phases, which do not have a micellar structure. We present here a generic approach to deal with these systems through a two-level density-functional description, to first describe an isolated micellar aggregate and then the dense micellar system, obtaining the free energy in a self-consistent way from the molecular interactions. Nonmicellar dense phases are included with the same density-functional approach applied at the first level. The results are shown to be very accurate for a one-dimensional model with exact solution, and the method is then applied to a three-dimensional amphiphile model that had been successfully used to describe the properties of diluted amphiphile solutions.

© 2000 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevE.62.7147
DOI:
10.1103/PhysRevE.62.7147
PACS:
87.16.Dg, 87.16.Ac, 64.90.+b, 05.70.-a