dor_id: 41358

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650.#.4.x: Físico Matemáticas y Ciencias de la Tierra

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856.4.0.u: http://revistas.unam.mx/index.php/rmf/article/view/14203/13540

100.1.#.a: Osorio González, D.; López Lemus, J.; Galicia Pimentel, U. F.

524.#.#.a: Osorio González, D., et al. (2006). On the morse potential in liquid phase and at liquid-vapor interface. Revista Mexicana de Física; Vol 52, No 005. Recuperado de https://repositorio.unam.mx/contenidos/41358

245.1.0.a: On the morse potential in liquid phase and at liquid-vapor interface

502.#.#.c: Universidad Nacional Autónoma de México

561.1.#.a: Facultad de Ciencias, UNAM

264.#.0.c: 2006

264.#.1.c: 2006-01-01

653.#.#.a: Surface tension; Morse potential; molecular dynamics

506.1.#.a: La titularidad de los derechos patrimoniales de esta obra pertenece a las instituciones editoras. Su uso se rige por una licencia Creative Commons BY-NC-ND 4.0 Internacional, https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode.es, fecha de asignación de la licencia 2006-01-01, para un uso diferente consultar al responsable jurídico del repositorio por medio de rmf@ciencias.unam.mx

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041.#.7.h: eng

520.3.#.a: Canonical Molecular Dynamics simulations have been performed to calculate thermodynamic properties in the liquid phase and at the liquid- vapor interface 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. Equilibrium densities were compared with results obtained by NpT plus test particle method, and an excellent agreement was found. The surface tension and the vapor pressure are computed for the first time in this work. We also analyzed the cut-off distance dependence in both bulk and interfacial properties. No significant difference was found in the data obtained when two different cut-off distances were used, Rc = 2.5σ and Rc = 4.0σ. This is a consequence of the short-range nature of the potential.

773.1.#.t: Revista Mexicana de Física; Vol 52, No 005 (2006)

773.1.#.o: http://revistas.unam.mx/index.php/rmf

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Artículo

On the morse potential in liquid phase and at liquid-vapor interface

Osorio González, D.; López Lemus, J.; Galicia Pimentel, U. F.

Facultad de Ciencias, UNAM, publicado en Revista Mexicana de Física, y cosechado de Revistas UNAM

Licencia de uso

Procedencia del contenido

Entidad o dependencia
Facultad de Ciencias, UNAM
Revista
Repositorio
Contacto
Revistas UNAM. Dirección General de Publicaciones y Fomento Editorial, UNAM en revistas@unam.mx

Cita

Osorio González, D., et al. (2006). On the morse potential in liquid phase and at liquid-vapor interface. Revista Mexicana de Física; Vol 52, No 005. Recuperado de https://repositorio.unam.mx/contenidos/41358

Descripción del recurso

Autor(es)
Osorio González, D.; López Lemus, J.; Galicia Pimentel, U. F.
Tipo
Artículo de Investigación
Área del conocimiento
Físico Matemáticas y Ciencias de la Tierra
Título
On the morse potential in liquid phase and at liquid-vapor interface
Fecha
2006-01-01
Resumen
Canonical Molecular Dynamics simulations have been performed to calculate thermodynamic properties in the liquid phase and at the liquid- vapor interface 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. Equilibrium densities were compared with results obtained by NpT plus test particle method, and an excellent agreement was found. The surface tension and the vapor pressure are computed for the first time in this work. We also analyzed the cut-off distance dependence in both bulk and interfacial properties. No significant difference was found in the data obtained when two different cut-off distances were used, Rc = 2.5σ and Rc = 4.0σ. This is a consequence of the short-range nature of the potential.
Tema
Surface tension; Morse potential; molecular dynamics
Idioma
eng
ISSN
2683-2224 (digital); 0035-001X (impresa)

Enlaces