[article]
| Titre : |
Thermodynamics of triethylene glycol and tetraethylene glycol containing systems described by the cubic-plus-association equation of state |
| Type de document : |
texte imprimé |
| Auteurs : |
Martin P. Breil, Auteur ; Georgios M. Kontogeorgis, Auteur |
| Année de publication : |
2009 |
| Article en page(s) : |
pp. 5472–5480 |
| Note générale : |
Chemical engineering |
| Langues : |
Anglais (eng) |
| Mots-clés : |
Triethylene glycol Vapor pressure data Liquid density Liquid-liquid equilibria Binary systems |
| Résumé : |
A thorough investigation of triethylene glycol (TEG) containing systems has been performed. The introduction of a new six-site association scheme for the TEG molecule has shown to be advantageous. Glycols are often modeled using a four-site scheme (abbreviated as 4C) hence ignoring the internal lone pairs of oxygen. The new association scheme also takes these sites into account. The new parameters of TEG are based on the vapor pressure data, liquid density data, and liquid−liquid equilibria (LLE) data (n-heptane), and they are tested for binary systems (methane, n-octane, n-nonane, n-decane, benzene, toluene, ethylbenzene, and water) and different types of phase equilibria (vapor−liquid equilibria (VLE) and LLE) and thermodynamic properties (heat of mixing, activity coefficients). A less extensive investigation has also been performed on tetraethylene glycol (TeEG) containing systems. Similarly, a new seven-site association scheme for the TeEG molecule has been investigated. The new parameters of TeEG are based on vapor pressure data, liquid density data, and LLE data (n-heptane). The performance is similar to that the 4C scheme. |
| En ligne : |
http://pubs.acs.org/doi/abs/10.1021/ie801412y |
in Industrial & engineering chemistry research > Vol. 48 N° 11 (Juin 2009) . - pp. 5472–5480
[article] Thermodynamics of triethylene glycol and tetraethylene glycol containing systems described by the cubic-plus-association equation of state [texte imprimé] / Martin P. Breil, Auteur ; Georgios M. Kontogeorgis, Auteur . - 2009 . - pp. 5472–5480. Chemical engineering Langues : Anglais ( eng) in Industrial & engineering chemistry research > Vol. 48 N° 11 (Juin 2009) . - pp. 5472–5480
| Mots-clés : |
Triethylene glycol Vapor pressure data Liquid density Liquid-liquid equilibria Binary systems |
| Résumé : |
A thorough investigation of triethylene glycol (TEG) containing systems has been performed. The introduction of a new six-site association scheme for the TEG molecule has shown to be advantageous. Glycols are often modeled using a four-site scheme (abbreviated as 4C) hence ignoring the internal lone pairs of oxygen. The new association scheme also takes these sites into account. The new parameters of TEG are based on the vapor pressure data, liquid density data, and liquid−liquid equilibria (LLE) data (n-heptane), and they are tested for binary systems (methane, n-octane, n-nonane, n-decane, benzene, toluene, ethylbenzene, and water) and different types of phase equilibria (vapor−liquid equilibria (VLE) and LLE) and thermodynamic properties (heat of mixing, activity coefficients). A less extensive investigation has also been performed on tetraethylene glycol (TeEG) containing systems. Similarly, a new seven-site association scheme for the TeEG molecule has been investigated. The new parameters of TeEG are based on vapor pressure data, liquid density data, and LLE data (n-heptane). The performance is similar to that the 4C scheme. |
| En ligne : |
http://pubs.acs.org/doi/abs/10.1021/ie801412y |
|
Thermodynamics of triethylene glycol and tetraethylene glycol containing systems described by the cubic-plus-association equation of state in Industrial & engineering chemistry research, Vol. 48 N° 11 (Juin 2009)
