Aggregation kinetics of irreversible patches coupled with reversible isotropic interaction leading to chains, bundles and globules

Aggregation kinetics of irreversible patches coupled with reversible isotropic interaction... AbstractIn the present study we are performing simulation of simple model of two patch colloidal particles undergoing irreversible diffusion limited cluster aggregation using patchy Brownian cluster dynamics. In addition to the irreversible aggregation of patches, the spheres are coupled with isotropic reversible aggregation through the Kern–Frenkel potential. Due to the presence of anisotropic and isotropic potential we have also defined three different kinds of clusters formed due to anisotropic potential and isotropic potential only as well as both the potentials together. We have investigated the effect of patch size on self-assembly under different solvent qualities for various volume fractions. We will show that at low volume fractions during aggregation process, we end up in a chain conformation for smaller patch size while in a globular conformation for bigger patch size. We also observed a chain to bundle transformation depending on the attractive interaction strength between the chains or in other words depending on the quality of the solvent. We will also show that bundling process is very similar to nucleation and growth phenomena observed in colloidal system with short range attraction. We have also studied the bond angle distribution for this system, where for small patches only two angles are more probable indicating chain formation, while for bundling at very low volume fraction a tail is developed in the distribution. While for the case of higher patch angle this distribution is broad compared to the case of low patch angles showing we have a more globular conformation. We are also proposing a model for the formation of bundles which are similar to amyloid fibers using two patch colloidal particles. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Pure and Applied Chemistry de Gruyter

Aggregation kinetics of irreversible patches coupled with reversible isotropic interaction leading to chains, bundles and globules

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Publisher
de Gruyter
Copyright
©2018 IUPAC & De Gruyter. This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. For more information, please visit: http://creativecommons.org/licenses/by-nc-nd/4.0/
ISSN
0033-4545
eISSN
1365-3075
D.O.I.
10.1515/pac-2017-0910
Publisher site
See Article on Publisher Site

Abstract

AbstractIn the present study we are performing simulation of simple model of two patch colloidal particles undergoing irreversible diffusion limited cluster aggregation using patchy Brownian cluster dynamics. In addition to the irreversible aggregation of patches, the spheres are coupled with isotropic reversible aggregation through the Kern–Frenkel potential. Due to the presence of anisotropic and isotropic potential we have also defined three different kinds of clusters formed due to anisotropic potential and isotropic potential only as well as both the potentials together. We have investigated the effect of patch size on self-assembly under different solvent qualities for various volume fractions. We will show that at low volume fractions during aggregation process, we end up in a chain conformation for smaller patch size while in a globular conformation for bigger patch size. We also observed a chain to bundle transformation depending on the attractive interaction strength between the chains or in other words depending on the quality of the solvent. We will also show that bundling process is very similar to nucleation and growth phenomena observed in colloidal system with short range attraction. We have also studied the bond angle distribution for this system, where for small patches only two angles are more probable indicating chain formation, while for bundling at very low volume fraction a tail is developed in the distribution. While for the case of higher patch angle this distribution is broad compared to the case of low patch angles showing we have a more globular conformation. We are also proposing a model for the formation of bundles which are similar to amyloid fibers using two patch colloidal particles.

Journal

Pure and Applied Chemistryde Gruyter

Published: Jun 27, 2018

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