Modeling the high-pressure behavior of binary mixtures of carbon dioxide+alkanols using an excess free energy mixing rule

Abstract

-The behavior of binary mixtures of carbon dioxide+alkanol (1-butanol, 2-butanol, 1-pentanol, or 2-pentanol) at high pressures was modeled using the Stryjek-Vera version of the Peng-Robinson equation of state. Two mixing rules were compared for this purpose: the classical one-fluid van der Waals and the Wong-Sandler mixing rules. In the case of the latter mixing rule, the NRTL model for the excess Gibbs free energy was used. We observed that both mixing rules can reproduce the qualitative aspects of the critical diagrams of these binary mixtures. A comparison of the results shows that there is no clear superiority of one mixing rule over the other in terms of the ability to predict the critical behavior of these mixtures.

Predicting the vapor-liquid equilibrium of carbon dioxide+alkanol systems by using an artificial neural network

“…Information about the phase behavior of binary mixtures can be obtained from direct measurement of phase equilibrium data or by using thermodynamic models [3]. The capabilities of different thermodynamic models for predicting the phase equilibrium of high pressure asymmetric mixtures containing CO 2 have been investigated [4,5].…”