Equation of state modelling of systems with ionic liquids: Literature review and application with the Cubic Plus Association (CPA) model

Maia, Filipa M.; Tsivintzelis, Ioannis; Rodrı́guez, Oscar; Macedo, Eugénia A.; Kontogeorgis, Georgios M.

doi:10.1016/j.fluid.2012.06.026

Cited by 81 publications

(56 citation statements)

References 143 publications

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“…Actually, various modeling efforts have been reported in the literature regarding the gas solubility in ionic liquids [28][29][30][31][32][33]. Vega et al [34] published a comprehensive review on the state-of-the-art approaches for modeling the thermo-physical properties of ionic liquids including their gas solubilities.…”

Section: June 2015mentioning

confidence: 99%

High-pressure solubility of carbon dioxide in pyrrolidinium-based ionic liquids: [bmpyr][dca] and [bmpyr][Tf2N]

Lee

Nam

2015

Korean J. Chem. Eng.

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Solubility data of carbon dioxide (CO 2 ) in two pyrrolidinium-based ionic liquids: 1-butyl-1-methylpyrrolidinium dicyanamide ([bmpyr][dca]) and 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([bmpyr] [Tf 2 N]) are presented at pressures up to about 30 MPa and temperatures from 303.2 K to 343.2 K. The solubility was determined by measuring bubble or cloud point pressures of mixtures of CO 2 and ionic liquid using a high-pressure equilibrium apparatus equipped with a variable-volume view cell. The CO 2 solubility in the ionic liquid in terms of the mole fraction or the molality increased with the increase of the equilibrium pressure at a given temperature, but decreased with the increase of temperature at a given pressure. At a given temperature, the mole fraction of CO 2 dissolved in the ionic liquid increased rapidly as pressure increased. CO 2 solubility in the mole fraction almost reached saturation around 0.65 for [bmpyr][dca] and around 0.8 for [bmpyr][Tf 2 N], respectively. The experimental data for the CO 2 + ionic liquid systems were correlated using the Peng-Robinson equation of state (PR-EoS). The mixing rules of the WongSandler type rather than the classical mixing rules of the van der Waals type were coupled with the PR-EoS. The resulting modeling approach proved to be able to correlate the CO 2 solubilities in aforementioned ionic liquids over the aforementioned range of temperature and pressure within 5% average deviations.

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Section: June 2015mentioning

confidence: 99%

High-pressure solubility of carbon dioxide in pyrrolidinium-based ionic liquids: [bmpyr][dca] and [bmpyr][Tf2N]

Lee

Nam

2015

Korean J. Chem. Eng.

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“…Carvalho et al [4,5], Ren et al [18], and Yim et al [19] [20]; (2) the group contribution nonrandom lattice fluid EoS [21]; (3) the statistical-associating-fluid-theory (SAFT) EoS [22]; and (4) the Sanchez-Lacombe EoS [23]. Maia et al [24] used the cubic-plus-association (CPA) EoS to model CO 2 solubility in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (C 2 mim[Tf 2 N]) and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide C 4 mim[Tf 2 N]. They also included a review of the EoSs used to describe gas solubility in ionic liquids.…”

Section: Mim][pf6] and [C 8 Mim][bf4] Ionic Liquids At Low And High Pmentioning

confidence: 99%

Prediction of CO2 solubility in ionic liquids using the PSRK model

Hizaddin

Hadj-Kali

AlNashef

et al. 2015

The Journal of Supercritical Fluids

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“…This is a hybrid equation of state that combines the Soave-Redlich-Kwong (SRK EoS) (Soave, 1972) to take into account physical interactions and the association term from the Statistical-Associating-Fluid-Theory (SAFT EoS) (Chapman et al, 1990;Huang and Radosz, 1990) in order to describe hydrogen-bond formation. The CPA EoS has already provided satisfactory results in mixtures with ionic liquids (Maia et. al., 2012).…”

Section: Introductionmentioning

confidence: 99%

THERMODYNAMIC MODELING OF AZEOTROPIC MIXTURES WITH [EMIM][TfO] WITH CUBIC-PLUS-ASSOCIATION AND CUBIC EOSs

Matos

Varandas

Santos

2018

Braz. J. Chem. Eng.

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Ionic liquids (ILs) are organic salts that are liquids at room temperature and have low vapor pressure. These characteristics render ILs potential substitutes of organic solvents and inorganic salts in separation of azeotropic mixtures. This work presents vapor-liquid equilibrium modeling of the azeotropic mixture acetone + methanol + 1-ethyl-3-methylimidazolium-trifluoromethanesulfonate and ethanol + water + 1-ethyl-3methylimidazolium-trifluoromethanesulfonate with the Cubic-Plus-Association Equation of State (CPA EoS). The azeotropic ternary mixture phase behavior was properly predicted using binary interaction parameters that were adjusted from binary mixture phase equilibrium data. Results show that the CPA EoS provides a better description of experimental data as compared to the Peng-Robinson-Wong-Sandler Equation of State (PRWS EoS).

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Equation of state modelling of systems with ionic liquids: Literature review and application with the Cubic Plus Association (CPA) model

Cited by 81 publications

References 143 publications

High-pressure solubility of carbon dioxide in pyrrolidinium-based ionic liquids: [bmpyr][dca] and [bmpyr][Tf2N]

High-pressure solubility of carbon dioxide in pyrrolidinium-based ionic liquids: [bmpyr][dca] and [bmpyr][Tf2N]

Prediction of CO2 solubility in ionic liquids using the PSRK model

THERMODYNAMIC MODELING OF AZEOTROPIC MIXTURES WITH [EMIM][TfO] WITH CUBIC-PLUS-ASSOCIATION AND CUBIC EOSs

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