A novel approach to the modelling of the fluid multiphase behaviour of ternary mixtures of carbon dioxide + n-alkane + 1-alkanol

In this work, modelling of the phase behaviour in ternary systems composed of CO 2 + n-alkanes + 1-alkanols is described. The model assumes that the ternary system is congruent to binary systems composed of CO 2 + n-alkanes and that the phase behaviour of the ternary system can be related to the ave...

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Bibliographic Details
Published inFluid phase equilibria Vol. 145; no. 2; pp. 239 - 253
Main Authors Smits, J.C., Gauter, K., Peters, C.J., de Swaan Arons, J.
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier B.V 01.04.1998
Elsevier Science
Subjects
Chemistry
Exact sciences and technology
General and physical chemistry
Modelling
Near-critical state
Phase equilibria
Ternary mixtures
Modelling
Near-critical state
Ternary mixtures
Aggregation
Equilibrium constant
Ternary system
Hydrocarbon
Alkane
Carbon dioxide
Theoretical study
Multiphase equilibrium
Molecular size
Phase equilibrium
Modeling
Primary alcohol
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Summary:In this work, modelling of the phase behaviour in ternary systems composed of CO 2 + n-alkanes + 1-alkanols is described. The model assumes that the ternary system is congruent to binary systems composed of CO 2 + n-alkanes and that the phase behaviour of the ternary system can be related to the average molecular size of the solute molecules. The average molecular size of the solute molecules is calculated taking into account alkanol aggregation. Although some crude assumptions have been made, the model is able to describe experimental results qualitatively. Values for model parameters like the degree of aggregation and the equilibrium constant of the aggregation reaction correspond very well to values for these parameters obtained from IR-spectroscopy.
ISSN:0378-3812
1879-0224
DOI:10.1016/S0378-3812(98)00179-4