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Effect of Organic Ions on The Formation and Collapse of Nanometric Bubbles in Ionic Liquid/Water Solutions: A Molecular Dynamics Study

[Image: see text] Molecular dynamics simulation is applied to investigate the effect of two ionic liquids (IL) on the nucleation and growth of (nano)cavities in water under tension and on the cavities’ collapse following the release of tension. Simulations of the same phenomena in two pure water sam...

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Autores principales: Cabriolu, Raffaela, Pollet, Bruno G., Ballone, Pietro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9969518/
https://www.ncbi.nlm.nih.gov/pubmed/36786732
http://dx.doi.org/10.1021/acs.jpcb.2c07950
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author Cabriolu, Raffaela
Pollet, Bruno G.
Ballone, Pietro
author_facet Cabriolu, Raffaela
Pollet, Bruno G.
Ballone, Pietro
author_sort Cabriolu, Raffaela
collection PubMed
description [Image: see text] Molecular dynamics simulation is applied to investigate the effect of two ionic liquids (IL) on the nucleation and growth of (nano)cavities in water under tension and on the cavities’ collapse following the release of tension. Simulations of the same phenomena in two pure water samples of different sizes are carried out for comparison. The first IL, i.e., tetra-ethylammonium mesylate ([Tea][Ms]), is relatively hydrophilic and its addition to water at 25 wt % concentration decreases its tendency to nucleate cavities. Apart from quantitative details, cavity formation and collapse are similar to those taking place in water and qualitatively follow the Rayleigh–Plesset (RP) equation. The second IL, i.e., tetrabutyl phosphonium 2,4-dimethylbenzenesulfonate ([P(4444)][DMBS]), is amphiphilic and forms nanostructured solutions with water. At 25 wt % concentrations, [P(4444)][DMBS] favors the nucleation of bubbles that tend to form at the interface between water-rich and IL-rich domains. Cavity collapse in [P(4444)][DMBS]/water solutions are greatly hindered by a shell of ions decorating the interface between the solution and the vapor phase. A similar effect is observed for the equilibration of a population of bubbles of different sizes. The drastic slowing down of the bubbles’ relaxation processes suggests ways to produce long-lived nanometric cavities in the liquid phase that could be useful for nanotechnology and drug delivery.
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spelling pubmed-99695182023-02-28 Effect of Organic Ions on The Formation and Collapse of Nanometric Bubbles in Ionic Liquid/Water Solutions: A Molecular Dynamics Study Cabriolu, Raffaela Pollet, Bruno G. Ballone, Pietro J Phys Chem B [Image: see text] Molecular dynamics simulation is applied to investigate the effect of two ionic liquids (IL) on the nucleation and growth of (nano)cavities in water under tension and on the cavities’ collapse following the release of tension. Simulations of the same phenomena in two pure water samples of different sizes are carried out for comparison. The first IL, i.e., tetra-ethylammonium mesylate ([Tea][Ms]), is relatively hydrophilic and its addition to water at 25 wt % concentration decreases its tendency to nucleate cavities. Apart from quantitative details, cavity formation and collapse are similar to those taking place in water and qualitatively follow the Rayleigh–Plesset (RP) equation. The second IL, i.e., tetrabutyl phosphonium 2,4-dimethylbenzenesulfonate ([P(4444)][DMBS]), is amphiphilic and forms nanostructured solutions with water. At 25 wt % concentrations, [P(4444)][DMBS] favors the nucleation of bubbles that tend to form at the interface between water-rich and IL-rich domains. Cavity collapse in [P(4444)][DMBS]/water solutions are greatly hindered by a shell of ions decorating the interface between the solution and the vapor phase. A similar effect is observed for the equilibration of a population of bubbles of different sizes. The drastic slowing down of the bubbles’ relaxation processes suggests ways to produce long-lived nanometric cavities in the liquid phase that could be useful for nanotechnology and drug delivery. American Chemical Society 2023-02-14 /pmc/articles/PMC9969518/ /pubmed/36786732 http://dx.doi.org/10.1021/acs.jpcb.2c07950 Text en © 2023 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 Cabriolu, Raffaela
Pollet, Bruno G.
Ballone, Pietro
Effect of Organic Ions on The Formation and Collapse of Nanometric Bubbles in Ionic Liquid/Water Solutions: A Molecular Dynamics Study
title Effect of Organic Ions on The Formation and Collapse of Nanometric Bubbles in Ionic Liquid/Water Solutions: A Molecular Dynamics Study
title_full Effect of Organic Ions on The Formation and Collapse of Nanometric Bubbles in Ionic Liquid/Water Solutions: A Molecular Dynamics Study
title_fullStr Effect of Organic Ions on The Formation and Collapse of Nanometric Bubbles in Ionic Liquid/Water Solutions: A Molecular Dynamics Study
title_full_unstemmed Effect of Organic Ions on The Formation and Collapse of Nanometric Bubbles in Ionic Liquid/Water Solutions: A Molecular Dynamics Study
title_short Effect of Organic Ions on The Formation and Collapse of Nanometric Bubbles in Ionic Liquid/Water Solutions: A Molecular Dynamics Study
title_sort effect of organic ions on the formation and collapse of nanometric bubbles in ionic liquid/water solutions: a molecular dynamics study
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9969518/
https://www.ncbi.nlm.nih.gov/pubmed/36786732
http://dx.doi.org/10.1021/acs.jpcb.2c07950
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