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

International Journal of Molecular Sciences

Gerald Rosenthal¹ 

关键词: Janus particles;    amphiphilic systems;    confinement;    cluster formation;    micelles;    icosahedrons;    bilayers;   

DOI  :  10.3390/ijms13089431

来源: mdpi

【 摘 要 】

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.

【 授权许可】

CC BY   
© 2012 by the authors; licensee Molecular Diversity Preservation International, Basel, Switzerland.