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Browsing by Author "Martínez Ruiz, Francisco José, Físico"
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Determination of interfacial tension of binary mixtures from perturbative approaches
Martínez Ruiz, Francisco José, Físico; Jiménez Blas, Felipe
(Taylor and Francis, 2015)
We determine the interfacial properties of mixtures of spherical Lennard-Jones molecules from direct simulation of the vapour–liquid interface. We consider mixtures with same molecular size but different dispersive energy ... -
Effect of dispersive long-range corrections to the pressure tensor: The vapour-liquid interfacial properties of the Lennard-Jones system revisited
Martínez Ruiz, Francisco José, Físico; Jiménez Blas, Felipe; Mendiboure, Bruno; Moreno-Ventas Bravo, Ignacio (AIP Publishing, 2014)
We propose an extension of the improved version of the inhomogeneous long-range corrections of Janecek [J. Phys. Chem. B 110, 6264–6269 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] ... -
Effect of molecular flexibility of Lennard-Jones chains on vapor-liquid interfacial properties
Jiménez Blas, Felipe; Moreno-Ventas Bravo, Ignacio; Algaba Fernández, Jesús; Martínez Ruiz, Francisco José, Físico; MacDowell, Luis G. (AIP Publishing, 2014)
We have determined the interfacial properties of short fully flexible chains formed from tangentially bonded Lennard-Jones monomeric units from direct simulation of the vapor-liquid interface. The results obtained are ... -
Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture
Martínez Ruiz, Francisco José, Físico; Moreno-Ventas Bravo, Ignacio; Jiménez Blas, Felipe (American Institute of Physics, 2015)
We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ11 = σ22, with the same dispersive energy between like species, ϵ11 = ϵ22, but different dispersive ... -
Propiedades interfaciales y equilibrio de fase de mezclas fluidas mediante simulación Monte Carlo
(Universidad de Huelva, 2015)La comprensión, desde un punto de vista molecular, del equilibrio de fase y las propiedades interfaciales de sistemas condensados ha crecido enormemente en las últimas décadas. Sin embargo, la determinación de propiedades ... -
Universal scaling behaviour of surface tension of molecular chains
Jiménez Blas, Felipe; Martínez Ruiz, Francisco José, Físico; Moreno-Ventas Bravo, Ignacio; González MacDowell, Luis (AIP Publishing, 2012)
We use and extend the universal relationship recently proposed by Galliero [G. Galliero, J. Chem. Phys. 133, 074705 (2010)], based on a combination of the corresponding-states principle of Guggenheim [E. A. Guggenheim, J. ... -
Vapour–liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation
Martínez Ruiz, Francisco José, Físico; Jiménez Blas, Felipe; Moreno-Ventas Bravo, Ignacio; Míguez Díaz, José Manuel; González MacDowell, Luis (Royal Society of Chemistry, 2017)
The statistical associating fluid theory for attractive potentials of variable range (SAFT-VR) density functional theory (DFT) developed by [Gloor et al., J. Chem. Phys., 2004, 121, 12740–12759] is used to predict the ...
