Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach

Formation of nanosized droplets/bubbles from a metastable bulk phase is connected to many unresolved scientific questions. We analyze the properties and stability of multicomponent droplets and bubbles in the canonical ensemble, and compare with single-component systems. The bubbles/droplets are des...

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Autores: Wilhelmsen, Øivind, Bedeaux, Dick, Kjelstrup, Signe, Reguera, D. (David)
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2014
País:España
Institución:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/50931
Acceso en línea:https://hdl.handle.net/2445/50931
Access Level:acceso abierto
Palabra clave:Termodinàmica del desequilibri
Nucleació
Capil·laritat
Nanotecnologia
Equacions d'estat
Nonequilibrium thermodynamics
Nucleation
Capillarity
Nanotechnology
Equations of state
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spelling Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approachWilhelmsen, ØivindBedeaux, DickKjelstrup, SigneReguera, D. (David)Termodinàmica del desequilibriNucleacióCapil·laritatNanotecnologiaEquacions d'estatNonequilibrium thermodynamicsNucleationCapillarityNanotechnologyEquations of stateFormation of nanosized droplets/bubbles from a metastable bulk phase is connected to many unresolved scientific questions. We analyze the properties and stability of multicomponent droplets and bubbles in the canonical ensemble, and compare with single-component systems. The bubbles/droplets are described on the mesoscopic level by square gradient theory. Furthermore, we compare the results to a capillary model which gives a macroscopic description. Remarkably, the solutions of the square gradient model, representing bubbles and droplets, are accurately reproduced by the capillary model except in the vicinity of the spinodals. The solutions of the square gradient model form closed loops, which shows the inherent symmetry and connected nature of bubbles and droplets. A thermodynamic stability analysis is carried out, where the second variation of the square gradient description is compared to the eigenvalues of the Hessian matrix in the capillary description. The analysis shows that it is impossible to stabilize arbitrarily small bubbles or droplets in closed systems and gives insight into metastable regions close to the minimum bubble/droplet radii. Despite the large difference in complexity, the square gradient and the capillary model predict the same finite threshold sizes and very similar stability limits for bubbles and droplets, both for single-component and two-component systems.American Institute of Physics2014info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://hdl.handle.net/2445/50931Articles publicats en revistes (Física de la Matèria Condensada)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésReproducció del document publicat a: http://dx.doi.org/10.1063/1.4860495Journal of Chemical Physics, 2014, vol. 140, p. 024704-1-02474-9http://dx.doi.org/10.1063/1.4860495(c) American Institute of Physics , 2014info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/509312026-05-27T06:46:51Z
dc.title.none.fl_str_mv Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach
title Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach
spellingShingle Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach
Wilhelmsen, Øivind
Termodinàmica del desequilibri
Nucleació
Capil·laritat
Nanotecnologia
Equacions d'estat
Nonequilibrium thermodynamics
Nucleation
Capillarity
Nanotechnology
Equations of state
title_short Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach
title_full Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach
title_fullStr Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach
title_full_unstemmed Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach
title_sort Thermodynamic stability of nanosized multicomponent bubbles/droplets: The square gradient theory and the capillary approach
dc.creator.none.fl_str_mv Wilhelmsen, Øivind
Bedeaux, Dick
Kjelstrup, Signe
Reguera, D. (David)
author Wilhelmsen, Øivind
author_facet Wilhelmsen, Øivind
Bedeaux, Dick
Kjelstrup, Signe
Reguera, D. (David)
author_role author
author2 Bedeaux, Dick
Kjelstrup, Signe
Reguera, D. (David)
author2_role author
author
author
dc.subject.none.fl_str_mv Termodinàmica del desequilibri
Nucleació
Capil·laritat
Nanotecnologia
Equacions d'estat
Nonequilibrium thermodynamics
Nucleation
Capillarity
Nanotechnology
Equations of state
topic Termodinàmica del desequilibri
Nucleació
Capil·laritat
Nanotecnologia
Equacions d'estat
Nonequilibrium thermodynamics
Nucleation
Capillarity
Nanotechnology
Equations of state
description Formation of nanosized droplets/bubbles from a metastable bulk phase is connected to many unresolved scientific questions. We analyze the properties and stability of multicomponent droplets and bubbles in the canonical ensemble, and compare with single-component systems. The bubbles/droplets are described on the mesoscopic level by square gradient theory. Furthermore, we compare the results to a capillary model which gives a macroscopic description. Remarkably, the solutions of the square gradient model, representing bubbles and droplets, are accurately reproduced by the capillary model except in the vicinity of the spinodals. The solutions of the square gradient model form closed loops, which shows the inherent symmetry and connected nature of bubbles and droplets. A thermodynamic stability analysis is carried out, where the second variation of the square gradient description is compared to the eigenvalues of the Hessian matrix in the capillary description. The analysis shows that it is impossible to stabilize arbitrarily small bubbles or droplets in closed systems and gives insight into metastable regions close to the minimum bubble/droplet radii. Despite the large difference in complexity, the square gradient and the capillary model predict the same finite threshold sizes and very similar stability limits for bubbles and droplets, both for single-component and two-component systems.
publishDate 2014
dc.date.none.fl_str_mv 2014
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/50931
url https://hdl.handle.net/2445/50931
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: http://dx.doi.org/10.1063/1.4860495
Journal of Chemical Physics, 2014, vol. 140, p. 024704-1-02474-9
http://dx.doi.org/10.1063/1.4860495
dc.rights.none.fl_str_mv (c) American Institute of Physics , 2014
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) American Institute of Physics , 2014
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
dc.source.none.fl_str_mv Articles publicats en revistes (Física de la Matèria Condensada)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.300719

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