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Phys. Rev. E 67, 060901(R) (2003) [3 pages]

Molecular simulations of mesoscopic bilayer phases

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Marieke Kranenburg, Maddalena Venturoli, and Berend Smit
Department of Chemical Engineering, University of Amsterdam, Nieuwe Achtergracht 166, 1018 WV Amsterdam, The Netherlands

Received 29 November 2002; revised 25 February 2003; published 18 June 2003

Dissipative particle dynamics simulations are used to study the self-assembly of lipids into bilayers. With a simple mesoscopic lipid-water model, we observe the formation of the liquid crystalline phase Lα and gel phases in which the tails are interdigitated LβI or noninterdigitated Lβ. For double-tail lipids experiments show all three phases, while for single-tail lipids only Lβ and Lα are observed. We show that at sufficiently high head-head repulsion the LβI is stable for single-tail lipids. This suggests that it might be possible to induce an LβLβI transition by adding chaotropic salts.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevE.67.060901
DOI:
10.1103/PhysRevE.67.060901
PACS:
87.16.Dg, 68.05.Gh, 82.70.Uv