Thesis Collection
Last Deposit
Browsing DGEO - Artículos by Author "Algaba Fernández, Jesús"
Now showing items 1-2 of 2
-
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 ... -
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 ...
