RT Journal Article
T1 Universal scaling behaviour of surface tension of molecular chains
A1 Jiménez Blas, Felipe
A1 Martínez Ruiz, Francisco José, Físico
A1 Moreno-Ventas Bravo, Ignacio
A1 González MacDowell, Luis
AB 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. Chem. Phys. 13, 253 (1945)] and the parachor approach of Macleod [J. Macleod, Trans. Faraday Soc. 19, 38 (1923)], to predict the vapour-liquid surface tension of fully flexible chainlike Lennard-Jones molecules. In the original study of Galliero, the reduced surface tension of short-chain molecules formed by up to five monomers is expressed as a unique function of the difference between the liquid and vapour coexistence densities. In this work, we extend the applicability of the recipe and demonstrate that it is also valid for predicting the surface tension of two different chainlike molecular models, namely, linear tangent chains that interact through the Lennard-Jones intermolecular potential and fully flexible chains formed by spherical segments inter- acting through the square-well potential. Computer simulation data for vapour-liquid surface tension of fully flexible and rigid linear Lennard-Jones, and fluid flexible square-well chains is taken from our previous works. Our results indicate that the universal scaling relationship is able to correlate short- and long-chain molecules with different degrees of flexibility and interacting through different inter- molecular potentials.
PB AIP Publishing
SN 0021-9606
SN 1089-7690 (electrónico)
YR 2012
FD 2012
LK http://hdl.handle.net/10272/17386
UL http://hdl.handle.net/10272/17386
LA eng
NO Blas, F. J., Martínez-Ruiz, F. J., Moreno-Ventas Bravo, A. I., MacDowell, L. G., "Universal scaling behaviour of surface tension of molecular chains", The Journal of Chemical Physics 137, 024702-1/024702-6 (2012), DOI: 10.1063/1.4731660
NO The authors would like to acknowledge helpful discus- sions with B. Mendiboure, D. Bessières, F. Plantier, M. M. Piñeiro, and J. M. Míguez. This work was supported by Ministerio de Ciencia e Innovación (MICINN, Spain) through Grants Nos. FIS2010-14866 and FIS2010-22047-C05-05. Further financial support from Proyecto de Excelencia from Junta de Andalucía (Grant No. P07-FQM02884), Comunidad Autónoma de Madrid (Grant No. MODELICO-P2009EPS-1691), and Universidad de Huelva are also acknowledged.
DS Repositorio Institucional de la Universidad de Huelva
RD 19 jun 2026