On the morse potential in liquid phase and at liquid-vapor interface
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| Format: | Artículo científico |
| Sprache: | en |
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Sociedad Mexicana de Física A.C.
2006
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| author | U.F. Galicia-Pimentel |
| author_facet | U.F. Galicia-Pimentel |
| contents | On the morse potential in liquid phase and at liquid-vapor interface U.F. Galicia-Pimentel D. Osorio-González J. López-Lemus Física, Astronomía y Matemáticas Surface tension Morse potential molecular dynamics Canonical Molecular Dynamics simulations have been performed to calculate thermodynamic properties in the liquid phase and at the liquidvaporinterface for fluids interacting by Morse potential. Transport properties such as self diffusion and shear viscosity have been calculatedin one phase. Self diffusion shows an important dependence on particle number whereas shear viscosity does not show such dependence.At the liquid-vapor interface, properties such as orthobaric densities, vapor pressure, and surface tension were calculated. Equilibriumdensities were compared with results obtained by NpT plus test particle method, and an excellent agreement was found. The surface tensionand the vapor pressure are computed for the first time in this work. We also analyzed the cut-off distance dependence in both bulk andinterfacial properties. No significant difference was found in the data obtained when two different cut-off distances were used, Rc = 2:5¾and Rc = 4:0¾. This is a consequence of the short-range nature of the potential 2006 artículo científico 0035-001X https://www.redalyc.org/articulo.oa?id=57065306 en http://www.redalyc.org/revista.oa?id=570 Revista Mexicana de Física application/pdf Sociedad Mexicana de Física A.C. Revista Mexicana de Física (México) Num.5 Vol.52 |
| format | Artículo científico |
| id | redalyc_57065306 |
| institution | Redalyc |
| language | en |
| publishDate | 2006 |
| publisher | Sociedad Mexicana de Física A.C. |
| spellingShingle | On the morse potential in liquid phase and at liquid-vapor interface U.F. Galicia-Pimentel Física, Astronomía y Matemáticas Surface tension Morse potential molecular dynamics On the morse potential in liquid phase and at liquid-vapor interface U.F. Galicia-Pimentel D. Osorio-González J. López-Lemus Física, Astronomía y Matemáticas Surface tension Morse potential molecular dynamics Canonical Molecular Dynamics simulations have been performed to calculate thermodynamic properties in the liquid phase and at the liquidvaporinterface for fluids interacting by Morse potential. Transport properties such as self diffusion and shear viscosity have been calculatedin one phase. Self diffusion shows an important dependence on particle number whereas shear viscosity does not show such dependence.At the liquid-vapor interface, properties such as orthobaric densities, vapor pressure, and surface tension were calculated. Equilibriumdensities were compared with results obtained by NpT plus test particle method, and an excellent agreement was found. The surface tensionand the vapor pressure are computed for the first time in this work. We also analyzed the cut-off distance dependence in both bulk andinterfacial properties. No significant difference was found in the data obtained when two different cut-off distances were used, Rc = 2:5¾and Rc = 4:0¾. This is a consequence of the short-range nature of the potential 2006 artículo científico 0035-001X https://www.redalyc.org/articulo.oa?id=57065306 en http://www.redalyc.org/revista.oa?id=570 Revista Mexicana de Física application/pdf Sociedad Mexicana de Física A.C. Revista Mexicana de Física (México) Num.5 Vol.52 |
| title | On the morse potential in liquid phase and at liquid-vapor interface |
| topic | Física, Astronomía y Matemáticas Surface tension Morse potential molecular dynamics |
| url | https://www.redalyc.org/articulo.oa?id=57065306 |