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Clustering in Mixtures of SALR Particles and Hard Spheres with Cross Attraction
[Image: see text] Self-assembling complex fluids are often modeled as particles with effective competing isotropic interactions, combining a short-range attraction (SA) followed by a longer-range repulsion (LR). For moderately low temperatures and densities, SALR particles form clusters in equilibri...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8919255/ https://www.ncbi.nlm.nih.gov/pubmed/35224968 http://dx.doi.org/10.1021/acs.jpcb.1c09758 |
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author | Munaò, Gianmarco Prestipino, Santi Bomont, Jean-Marc Costa, Dino |
author_facet | Munaò, Gianmarco Prestipino, Santi Bomont, Jean-Marc Costa, Dino |
author_sort | Munaò, Gianmarco |
collection | PubMed |
description | [Image: see text] Self-assembling complex fluids are often modeled as particles with effective competing isotropic interactions, combining a short-range attraction (SA) followed by a longer-range repulsion (LR). For moderately low temperatures and densities, SALR particles form clusters in equilibrium, at least provided that the potential parameters are appropriate. Here we inquire into the possibility that cluster formation in SALR fluids might be pushed by a foreign species even under thermodynamic conditions that would not allow for clusterization of the pure system. To this aim, we study by Monte Carlo simulations a mixture of hard-sphere two-Yukawa particles and hard spheres, with a cross interaction modeled by a square-well attraction, and we investigate the conditions of clustering in terms of strength of attraction and relative concentration of the two species. We find that clusters can occur in the mixture for the same temperature and density where the pure SALR fluid is almost structureless. In particular, we single out a cross attraction such that clusters are formed with a SALR concentration as low as 5%. We also find a situation where nearly pure droplets of hard spheres are held together by a shell of SALR particles. Conversely, we show that clustering can be undermined in the mixture under conditions for which this process takes place in the parent SALR fluid. Using a simple criterion, based on the second virial coefficients of the attractive part of interaction potentials (the so-called “reference attractive fluids”), we are able to predict accurately whether clustering is favored (or hindered) in the mixture, as compared to the pure SALR fluid. |
format | Online Article Text |
id | pubmed-8919255 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-89192552022-03-15 Clustering in Mixtures of SALR Particles and Hard Spheres with Cross Attraction Munaò, Gianmarco Prestipino, Santi Bomont, Jean-Marc Costa, Dino J Phys Chem B [Image: see text] Self-assembling complex fluids are often modeled as particles with effective competing isotropic interactions, combining a short-range attraction (SA) followed by a longer-range repulsion (LR). For moderately low temperatures and densities, SALR particles form clusters in equilibrium, at least provided that the potential parameters are appropriate. Here we inquire into the possibility that cluster formation in SALR fluids might be pushed by a foreign species even under thermodynamic conditions that would not allow for clusterization of the pure system. To this aim, we study by Monte Carlo simulations a mixture of hard-sphere two-Yukawa particles and hard spheres, with a cross interaction modeled by a square-well attraction, and we investigate the conditions of clustering in terms of strength of attraction and relative concentration of the two species. We find that clusters can occur in the mixture for the same temperature and density where the pure SALR fluid is almost structureless. In particular, we single out a cross attraction such that clusters are formed with a SALR concentration as low as 5%. We also find a situation where nearly pure droplets of hard spheres are held together by a shell of SALR particles. Conversely, we show that clustering can be undermined in the mixture under conditions for which this process takes place in the parent SALR fluid. Using a simple criterion, based on the second virial coefficients of the attractive part of interaction potentials (the so-called “reference attractive fluids”), we are able to predict accurately whether clustering is favored (or hindered) in the mixture, as compared to the pure SALR fluid. American Chemical Society 2022-02-28 2022-03-10 /pmc/articles/PMC8919255/ /pubmed/35224968 http://dx.doi.org/10.1021/acs.jpcb.1c09758 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Munaò, Gianmarco Prestipino, Santi Bomont, Jean-Marc Costa, Dino Clustering in Mixtures of SALR Particles and Hard Spheres with Cross Attraction |
title | Clustering in Mixtures of SALR Particles and Hard
Spheres with Cross Attraction |
title_full | Clustering in Mixtures of SALR Particles and Hard
Spheres with Cross Attraction |
title_fullStr | Clustering in Mixtures of SALR Particles and Hard
Spheres with Cross Attraction |
title_full_unstemmed | Clustering in Mixtures of SALR Particles and Hard
Spheres with Cross Attraction |
title_short | Clustering in Mixtures of SALR Particles and Hard
Spheres with Cross Attraction |
title_sort | clustering in mixtures of salr particles and hard
spheres with cross attraction |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8919255/ https://www.ncbi.nlm.nih.gov/pubmed/35224968 http://dx.doi.org/10.1021/acs.jpcb.1c09758 |
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