A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble
Lee, D. J. ; Telo da Gama, M. M. ; Gubbins, K. E.
College Park, Md. : American Institute of Physics (AIP)
Published 1986
College Park, Md. : American Institute of Physics (AIP)
Published 1986
| ISSN: |
1089-7690
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|---|---|
| Source: |
AIP Digital Archive
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| Topics: |
Physics
Chemistry and Pharmacology
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| Notes: |
We have studied the interfacial properties of droplets of (cutoff and shifted) Lennard-Jones fluids in the canonical ensemble, using mean field theory. We have examined the effects of system size, overall density (supersaturation) and temperature on the density profiles, density and pressure at the center of the droplet, and surface tension. The numerical accuracy of the theory was tested by extensive comparisons of the results with the molecular dynamics simulations of Thompson et al. Good agreement was found. We have used the theory to calculate the energy of formation of a droplet and the stability temperature Ts for droplet formation as a function of the system size and overall density. We find Ts to be lower than the coexistence temperature for the planar surface, and to fall as the drop size falls.
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| Type of Medium: |
Electronic Resource
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| URL: |
| _version_ | 1798289756147154945 |
|---|---|
| autor | Lee, D. J. Telo da Gama, M. M. Gubbins, K. E. |
| autorsonst | Lee, D. J. Telo da Gama, M. M. Gubbins, K. E. |
| book_url | http://dx.doi.org/10.1063/1.451627 |
| datenlieferant | nat_lic_papers |
| hauptsatz | hsatz_simple |
| identnr | NLZ218941315 |
| issn | 1089-7690 |
| journal_name | The Journal of Chemical Physics |
| materialart | 1 |
| notes | We have studied the interfacial properties of droplets of (cutoff and shifted) Lennard-Jones fluids in the canonical ensemble, using mean field theory. We have examined the effects of system size, overall density (supersaturation) and temperature on the density profiles, density and pressure at the center of the droplet, and surface tension. The numerical accuracy of the theory was tested by extensive comparisons of the results with the molecular dynamics simulations of Thompson et al. Good agreement was found. We have used the theory to calculate the energy of formation of a droplet and the stability temperature Ts for droplet formation as a function of the system size and overall density. We find Ts to be lower than the coexistence temperature for the planar surface, and to fall as the drop size falls. |
| package_name | American Institute of Physics (AIP) |
| publikationsjahr_anzeige | 1986 |
| publikationsjahr_facette | 1986 |
| publikationsjahr_intervall | 8014:1985-1989 |
| publikationsjahr_sort | 1986 |
| publikationsort | College Park, Md. |
| publisher | American Institute of Physics (AIP) |
| reference | 85 (1986), S. 490-499 |
| search_space | articles |
| shingle_author_1 | Lee, D. J. Telo da Gama, M. M. Gubbins, K. E. |
| shingle_author_2 | Lee, D. J. Telo da Gama, M. M. Gubbins, K. E. |
| shingle_author_3 | Lee, D. J. Telo da Gama, M. M. Gubbins, K. E. |
| shingle_author_4 | Lee, D. J. Telo da Gama, M. M. Gubbins, K. E. |
| shingle_catch_all_1 | Lee, D. J. Telo da Gama, M. M. Gubbins, K. E. A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble We have studied the interfacial properties of droplets of (cutoff and shifted) Lennard-Jones fluids in the canonical ensemble, using mean field theory. We have examined the effects of system size, overall density (supersaturation) and temperature on the density profiles, density and pressure at the center of the droplet, and surface tension. The numerical accuracy of the theory was tested by extensive comparisons of the results with the molecular dynamics simulations of Thompson et al. Good agreement was found. We have used the theory to calculate the energy of formation of a droplet and the stability temperature Ts for droplet formation as a function of the system size and overall density. We find Ts to be lower than the coexistence temperature for the planar surface, and to fall as the drop size falls. 1089-7690 10897690 American Institute of Physics (AIP) |
| shingle_catch_all_2 | Lee, D. J. Telo da Gama, M. M. Gubbins, K. E. A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble We have studied the interfacial properties of droplets of (cutoff and shifted) Lennard-Jones fluids in the canonical ensemble, using mean field theory. We have examined the effects of system size, overall density (supersaturation) and temperature on the density profiles, density and pressure at the center of the droplet, and surface tension. The numerical accuracy of the theory was tested by extensive comparisons of the results with the molecular dynamics simulations of Thompson et al. Good agreement was found. We have used the theory to calculate the energy of formation of a droplet and the stability temperature Ts for droplet formation as a function of the system size and overall density. We find Ts to be lower than the coexistence temperature for the planar surface, and to fall as the drop size falls. 1089-7690 10897690 American Institute of Physics (AIP) |
| shingle_catch_all_3 | Lee, D. J. Telo da Gama, M. M. Gubbins, K. E. A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble We have studied the interfacial properties of droplets of (cutoff and shifted) Lennard-Jones fluids in the canonical ensemble, using mean field theory. We have examined the effects of system size, overall density (supersaturation) and temperature on the density profiles, density and pressure at the center of the droplet, and surface tension. The numerical accuracy of the theory was tested by extensive comparisons of the results with the molecular dynamics simulations of Thompson et al. Good agreement was found. We have used the theory to calculate the energy of formation of a droplet and the stability temperature Ts for droplet formation as a function of the system size and overall density. We find Ts to be lower than the coexistence temperature for the planar surface, and to fall as the drop size falls. 1089-7690 10897690 American Institute of Physics (AIP) |
| shingle_catch_all_4 | Lee, D. J. Telo da Gama, M. M. Gubbins, K. E. A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble We have studied the interfacial properties of droplets of (cutoff and shifted) Lennard-Jones fluids in the canonical ensemble, using mean field theory. We have examined the effects of system size, overall density (supersaturation) and temperature on the density profiles, density and pressure at the center of the droplet, and surface tension. The numerical accuracy of the theory was tested by extensive comparisons of the results with the molecular dynamics simulations of Thompson et al. Good agreement was found. We have used the theory to calculate the energy of formation of a droplet and the stability temperature Ts for droplet formation as a function of the system size and overall density. We find Ts to be lower than the coexistence temperature for the planar surface, and to fall as the drop size falls. 1089-7690 10897690 American Institute of Physics (AIP) |
| shingle_title_1 | A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble |
| shingle_title_2 | A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble |
| shingle_title_3 | A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble |
| shingle_title_4 | A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble |
| sigel_instance_filter | dkfz geomar wilbert ipn albert |
| source_archive | AIP Digital Archive |
| timestamp | 2024-05-06T08:05:53.874Z |
| titel | A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble |
| titel_suche | A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble |
| topic | U V |
| uid | nat_lic_papers_NLZ218941315 |