Modeling systems containing alkanolamines with the CPA equation of state / Ane S. Avlund in Industrial & engineering chemistry research, Vol. 47 N°19 (Octobre 2008)  

Modeling systems containing alkanolamines with the CPA equation of state [texte imprimé] / Ane S. Avlund, Auteur ; Georgios M. Kontogeorgis, Auteur ; Michael L. Michelsen, Auteur . - 2008 . - p. 7441–7446.
Chemical engineering
Langues : Anglais (eng)
in Industrial & engineering chemistry research > Vol. 47 N°19 (Octobre 2008) . - p. 7441–7446

Mots-clés :	Equation of state Alkanolamines Liquid-liquid equilibria Vapor-liquid
Résumé :	An association model, the cubic-plus-association (CPA) equation of state (EoS), is applied for the first time to a class of multifunctional compounds (alkanolamines). Three alkanolamines of practical and scientific significance are considered; monoethanolamine (MEA), diethanolamine (DEA), and methyl diethanolamine (MDEA). Vapor pressures and liquid densities, as well as solvatochromic parameters and mixture liquid−liquid equilibria (LLE) data with alkanes are used to estimate the five pure-compound parameters. Vapor−liquid equilibria (VLE) calculations for cross-associating mixtures, especially those with water, are used in the validation of the parameters. The influence on the results of the association scheme, cross-association combining rules, interaction parameters, and the data available is discussed also, in connection with other aqueous cross-associating mixtures previously studied using the CPA equation of state (alcohols, amines, and glycols).
En ligne :	http://pubs.acs.org/doi/abs/10.1021/ie800040g