A NOVEL-APPROACH TO THE MODELING OF THE FLUID MULTIPHASE BEHAVIOR OF TERNARY MIXTURES OF CARBON-DIOXIDE PLUS N-ALKANE PLUS 1-ALKANOL

In this work, modelling of the phase behaviour in ternary systems comp osed of CO2 + n-alkanes + 1-alkanols is described. The model assumes t hat the ternary system is congruent to binary systems composed of CO, + n-alkanes and that the phase behaviour of the ternary system can be related to the average molecular size of the solute molecules. The ave rage 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 qualitativel y. 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. (C) 1998 Published by Elsevier Science B.V. All rights reserved.