dc.creator | Garzón, Benito | es |
dc.creator | Lago, S. | es |
dc.creator | Vega, Carlos | es |
dc.creator | Rull Fernández, Luis Felipe | es |
dc.date.accessioned | 2018-02-08T16:39:42Z | |
dc.date.available | 2018-02-08T16:39:42Z | |
dc.date.issued | 1995 | |
dc.identifier.citation | Garzón, B., Lago, S., Vega, C. y Rull Fernández, L.F. (1995). Computer simulation of vapor-liquid equilibria of linear dipolar fluids: Departures from the principle of corresponding states. The Journal of Chemical Physics, 102 (18), 1-12. | |
dc.identifier.issn | 0021-9606 (impreso) | es |
dc.identifier.issn | 1089-7690 (electrónico) | es |
dc.identifier.uri | https://hdl.handle.net/11441/70140 | |
dc.description.abstract | Liquid-vapor equilibrium of linear dipolar fluids has been determined by using the Gibbs ensemble
simulation technique. Several elongations and values of the dipole moment were considered. Dipole
moment increases the critical temperature and affects slightly the critical density and pressure.
Compressibility factor at the critical point decreases as the dipole moment of the molecule increases.
Dipole moment provokes deviations from the principle of corresponding states. It is shown that the
temperature-density coexistence curve is broadened and that the slope of the vapor pressure curve
increases with increasing dipole moment. We propose a new way of reducing the dipole moment so
that the increase of the critical temperature becomes almost independent on the molecular
elongation. We have also obtained the vapor-liquid equilibrium of models having both a dipole and
a quadrupole moment. The obtained data were used to describe the behavior of some relatively
complex fluids, namely, 1,1,1-trifluoroethane and 2,2,2-trifluoroethanol. Good agreement for
coexistence densities and pressures was obtained. The results presented in this work for linear
dipolar fluids along with previous work on linear quadrupolar fluids provide a very comprehensive
view of the effect of polar forces on the vapor-liquid equilibrium of linear fluids. | es |
dc.format | application/pdf | es |
dc.language.iso | eng | es |
dc.publisher | American Institute of Physics | es |
dc.relation.ispartof | The Journal of Chemical Physics, 102 (18), 1-12. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Computer simulation of vapor-liquid equilibria of linear dipolar fluids: Departures from the principle of corresponding states | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/publishedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear | es |
dc.relation.publisherversion | https://doi.org/10.1063/1.469115 | es |
dc.identifier.doi | 10.1063/1.469115 | es |
idus.format.extent | 12 p. | es |
dc.journaltitle | The Journal of Chemical Physics | es |
dc.publication.volumen | 102 | es |
dc.publication.issue | 18 | es |
dc.publication.initialPage | 1 | es |
dc.publication.endPage | 12 | es |
dc.identifier.sisius | 6519454 | es |