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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; in revised form: 17 July 2012 / Accepted: 18 July 2012 / Published: 26 July 2012
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
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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.
Rosenthal G, Klapp SHL. Micelle and Bilayer Formation of Amphiphilic Janus Particles in a Slit-Pore. International Journal of Molecular Sciences. 2012; 13(8):9431-9446.
Rosenthal, Gerald; Klapp, Sabine H. L. 2012. "Micelle and Bilayer Formation of Amphiphilic Janus Particles in a Slit-Pore." Int. J. Mol. Sci. 13, no. 8: 9431-9446.