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Browsing DGEO - Artículos by Author "Jiménez Blas, Felipe"
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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 ... -
On interfacial properties of tetrahydrofuran : atomistic and coarse-grained models from molecular dynamics simulation
Garrido, J. M.; Algaba Fernández, Jesús; Míguez, J. M.; Mendiboure, B.; Moreno-Ventas Bravo, Ignacio; Piñeiro, M. M.; Jiménez Blas, Felipe (AIP Publishing, 2016)
We have determined the interfacial properties of tetrahydrofuran (THF) from direct simulation of the vapor-liquid interface. The molecules are modeled using six di↵erent molecular models, three of them based on the ...
