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Int. J. Mol. Sci. 2012, 13(8), 9431-9446; doi:10.3390/ijms13089431

Micelle and Bilayer Formation of Amphiphilic Janus Particles in a Slit-Pore

Institute of Theoretical Physics, School II, Technical University Berlin, Sec. EW 7-1, Hardenbergstr. 36, Berlin D-10623, Germany
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Received: 5 June 2012 / Revised: 17 July 2012 / Accepted: 18 July 2012 / Published: 26 July 2012
(This article belongs to the Special Issue Self-Assembled Soft Matter Nanostructures at Interfaces)
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Abstract

We employ molecular dynamics simulations to investigate the self-assembly of amphiphilic Janus particles in a slit-pore consisting of two plane-parallel, soft walls. The Janus particles are modeled as soft spheres with an embedded unit vector pointing from the hydrophobic to the hydrophilic hemisphere. The structure formation is analyzed via cluster size distributions, density and polarization profiles, and in-plane correlation functions. At low temperatures and densities, the dominating structures are spherical micelles, whereas at higher densities we also observe wall-induced bilayer formation. Finally, we compare the MD results with those from a previous density functional study.
Keywords: Janus particles; amphiphilic systems; confinement; cluster formation; micelles; icosahedrons; bilayers Janus particles; amphiphilic systems; confinement; cluster formation; micelles; icosahedrons; bilayers
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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MDPI and ACS Style

Rosenthal, G.; Klapp, S.H.L. Micelle and Bilayer Formation of Amphiphilic Janus Particles in a Slit-Pore. Int. J. Mol. Sci. 2012, 13, 9431-9446.

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