Thermodynamic Modeling of the Phase Behavior of Binary Systems of Ionic Liquids and Carbon Dioxide with the Group Contribution Equation of State

2007 ◽  
Vol 111 (51) ◽  
pp. 14265-14270 ◽  
Author(s):  
Bianca Breure ◽  
Susana B. Bottini ◽  
Geert-Jan Witkamp ◽  
Cor J. Peters
Keyword(s):  
Carbon Dioxide ◽  
Ionic Liquids ◽  
Equation Of State ◽  
Phase Behavior ◽  
Thermodynamic Modeling ◽  
Binary Systems ◽  
Group Contribution

scholarly journals The Effect of Functional Groups on the Phase Behavior of Carbon Dioxide Binaries and Their Role in CCS

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3733
Author(s):  
Sergiu Sima ◽  
Catinca Secuianu
Keyword(s):  
Carbon Dioxide ◽  
Equation Of State ◽  
Ethyl Acetate ◽  
Phase Behavior ◽  
Critical Points ◽  
Binary Systems ◽  
Binary Interaction ◽  
Co2 Absorption ◽  
Co2 Solubility ◽  
Binary Model

In recent years we have focused our efforts on investigating various binary mixtures containing carbon dioxide to find the best candidate for CO2 capture and, therefore, for applications in the field of CCS and CCUS technologies. Continuing this project, the present study investigates the phase behavior of three binary systems containing carbon dioxide and different oxygenated compounds. Two thermodynamic models are examined for their ability to predict the phase behavior of these systems. The selected models are the well-known Peng–Robinson (PR) equation of state and the General Equation of State (GEOS), which is a generalization for all cubic equations of state with two, three, and four parameters, coupled with classical van der Waals mixing rules (two-parameter conventional mixing rule, 2PCMR). The carbon dioxide + ethyl acetate, carbon dioxide + 1,4-dioxane, and carbon dioxide + 1,2-dimethoxyethane binary systems were analyzed based on GEOS and PR equation of state models. The modeling approach is entirely predictive. Previously, it was proved that this approach was successful for members of the same homologous series. Unique sets of binary interaction parameters for each equation of state, determined for the carbon dioxide + 2-butanol binary model system, based on k12–l12 method, were used to examine the three systems. It was shown that the models predict that CO2 solubility in the three substances increases globally in the order 1,4-dioxane, 1,2-dimethoxyethane, and ethyl acetate. CO2 solubility in 1,2-dimethoxyethane, 1.4-dioxane, and ethyl acetate reduces with increasing temperature for the same pressure, and increases with lowering temperature for the same pressure, indicating a physical dissolving process of CO2 in all three substances. However, CO2 solubility for the carbon dioxide + ether systems (1,4-dioxane, 1,2-dimethoxyethane) is better at low temperatures and pressures, and decreases with increasing pressures, leading to higher critical points for the mixtures. By contrast, the solubility of ethyl acetate in carbon dioxide is less dependent on temperatures and pressures, and the mixture has lower pressures critical points. In other words, the ethers offer better solubilization at low pressures; however, the ester has better overall miscibility in terms of lower critical pressures. Among the binary systems investigated, the 1,2-dimethoxyethane is the best solvent for CO2 absorption.

Experimental Density of Ionic Liquids and Thermodynamic Modeling with Group Contribution Equation of State Based on the Lattice Fluid Theory

2015 ◽  
Vol 61 (1) ◽  
pp. 348-353 ◽  
Author(s):  
Dheiver Santos ◽  
Maria Santos ◽  
Elton Franceschi ◽  
Cláudio Dariva ◽  
Andersson Barison ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Equation Of State ◽  
Thermodynamic Modeling ◽  
Group Contribution ◽  
Lattice Fluid ◽  
Fluid Theory ◽  
Experimental Density
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