Artículo
Simulation study of the link between molecular association and reentrant miscibility for a mixture of molecules with directional interactions
Autor/es | Davies, Lowri A.
Jackson, George Rull Fernández, Luis Felipe |
Departamento | Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear |
Fecha de publicación | 1999-06-28 |
Fecha de depósito | 2017-07-24 |
Publicado en |
|
Resumen | The reentrant liquid-liquid miscibility of a symmetrical mixture with highly directional bonding interactions is studied by Gibbs ensemble Monte Carlo simulation. The resulting closed loop of immiscibility and the corresponding ... The reentrant liquid-liquid miscibility of a symmetrical mixture with highly directional bonding interactions is studied by Gibbs ensemble Monte Carlo simulation. The resulting closed loop of immiscibility and the corresponding lower critical solution temperature are shown to be a direct consequence of the dramatic increase in association between unlike components as the temperature is lowered. Our exact calculations for an off-lattice system with a well-defined anisotropic potential confirm the findings of previous theoretical studies. |
Agencias financiadoras | Dirección General de Investigación Científica y Técnica (DGICYT). España |
Identificador del proyecto | PB94-1442 |
Cita | Davies, L.A., Jackson, G. y Rull, L.F. (1999). Simulation study of the link between molecular association and reentrant miscibility for a mixture of molecules with directional interactions. Physical Review Letters, 82 (26), 5285-5288. |
Ficheros | Tamaño | Formato | Ver | Descripción |
---|---|---|---|---|
Simulation Study of the Link ... | 54.73Kb | [PDF] | Ver/ | |