Self-consistent field modeling of three-dimensional morphologies of branched lipid surfactant at air-water interface

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Abstract

Three-dimensional mesoscopic morphologies and the thermodynamics of structural phase transitions of amphiphilic lipids at air-water interfaces are studied using self-consistent field theory. Changing the relative amount of lipids in the system led to a series of 3D morphologic phases with varying average interfacial area per molecule, mimicking a compression of the model membranes. Membranes of both saturated and unsaturated lipids undergo a transition from cylindrical micelle to lamella when the lipid content in the system increases from 2% to about 19- 20%. With further increase in the lipid content, saturated lipids first develop non-uniform quasi- 2D distributions in the lamella and then gradually transform into a hybrid morphology containing quasi-planar lamellae. In contrast, unsaturated lipids develop reverse-micellar morphologies.

Original languageEnglish (US)
Pages (from-to)228-239
Number of pages12
JournalMacromolecular Theory and Simulations
Volume19
Issue number5
DOIs
StatePublished - Jul 19 2010
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Organic Chemistry
  • Polymers and Plastics
  • Inorganic Chemistry
  • Materials Chemistry

Keywords

  • Amphiphiles
  • Block copolymers
  • Computer modeling
  • Modeling
  • Phase behavior
  • Surfactants

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