Self-assembly of model amphiphilic Janus particles

The Journal of Chemical Physics
Gerald RosenthalSabine H L Klapp

Abstract

We apply molecular dynamics simulations to investigate the structure formation of amphiphilic Janus particles in the bulk phase. The Janus particles are modeled as (soft) spheres composed of a hydrophilic and hydrophobic part. Their orientation is described by a vector representing an internal degree of freedom. Investigating energy fluctuations and cluster size distributions, we determine the aggregation line in a temperature-density-diagram, where the reduced temperature is an inverse measure for the anisotropic coupling. Below this aggregation line clusters of various sizes depending on density and reduced temperature are found. For low densities in the range ρ∗ ≤ 0.3, the cluster size distribution has a broad maximum, indicating simultaneous existence of various cluster sizes between 5 and 10. We find no hint of a condensation transition of these clustered systems. In the case of higher densities (ρ∗ = 0.5 and 0.6), the cluster size distribution shows an extremely narrow peak at clusters of size 13. In these icosahedrons, the particles are arranged in a closed-packed manner, thereby maximizing the number of bonds. Analyzing the translational mean-square displacement we also observe indications of hindered diffusion due to a...Continue Reading

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Citations

Sep 6, 2012·International Journal of Molecular Sciences·Gerald Rosenthal, Sabine H L Klapp
Aug 3, 2012·The Journal of Chemical Physics·Matthew C Hagy, Rigoberto Hernandez
Dec 18, 2013·The Journal of Chemical Physics·A PatrykiejewJa Ilnytskyi
Jul 3, 2015·The Journal of Chemical Physics·Wei LiJeffrey M Rickman
Jun 22, 2015·The Journal of Chemical Physics·Ali Kharazmi, Nikolai V Priezjev
May 3, 2015·The Journal of Chemical Physics·O PizioZ Sokołowska
Mar 3, 2017·Physical Chemistry Chemical Physics : PCCP·Wenjun XiangZhaoyang Luo
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Jul 23, 2016·Soft Matter·Arash Nikoubashman
Aug 19, 2015·Soft Matter·Florian KoglerSabine H L Klapp
Aug 20, 2016·Physical Chemistry Chemical Physics : PCCP·Gianmarco MunaòCarlo Caccamo
Aug 10, 2019·Soft Matter·Sina SafaeiGeoff R Willmott
Jul 14, 2020·Soft Matter·Sina SafaeiGeoff R Willmott
Mar 19, 2016·Soft Matter·Ronal A DeLaCruz-AraujoUbaldo M Córdova-Figueroa
Aug 5, 2017·Materials·Hai Pham VanMatthias Schmidt
May 31, 2019·Physical Review Letters·Norihiro OyamaKuniyasu Saitoh
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Mar 4, 2014·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Martin SchoenSabine H L Klapp
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Methods Mentioned

BETA
scanning electron microscopy

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