Thermodynamic modeling of CO2 solubility in ionic liquid ([C n -mim] [Tf2N]; n=2, 4, 6, 8) with using Wong-Sandler mixing rule, Peng-Rabinson equation of state (EOS) and differential evolution (DE) method

Yazdizadeh, Mohammad; Rahmani, Farhad; Forghani, Amir Ahmad

doi:10.1007/s11814-010-0345-x

Cited by 30 publications

(7 citation statements)

References 25 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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“…Their results present an average deviation in pressure of 4% for the gamma-phi approach and 3% for the phi-phi approach, from which it was concluded the better efficiency of the one-fluid van der Waals mixing rules for the modelling of binary mixtures involving gases and ionic liquids. Yazdizadeh et al [47] also used the Peng-Robinson EoS with the Wong-Sandler mixing rules (and van Laar model) for the modelling of CO 2 solubility in the [C n mim][NTf 2 ] family of ionic liquids. Once again, the critical properties of ionic liquids were estimated using Joback's method [37] while the acentric factors were determined by the Ambrose-Walton corresponding-states method [37].…”

Section: Mim][ntf 2 ] and [C 4 Mim][dca]mentioning

confidence: 99%

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

Maia

Tsivintzelis

Rodrı́guez

et al. 2012

Fluid Phase Equilibria

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“…In addition to various correlations and group contribution and artificial neural network methods, − thus far, cubic equations of state (EoS) have been widely implemented for modeling the solubilities of gases in [C n mim][NTf 2 ] ILs, typically with large number of binary parameters, often fitted to specific isotherms. − However, theoretically based approaches have a stronger predictive capacity. As evidence, their implementation in the modeling of gas solubility in ILs typically requires less effort for fitting data than the use of cubic equations.…”

Section: Introductionmentioning

confidence: 99%

Implementation of CP-PC-SAFT for Predicting Thermodynamic Properties and Gas Solubility in 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquids without Fitting Binary Parameters

Polishuk

2017

Ind. Eng. Chem. Res.

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In this study, simple molecular-weight-based correlations for the CP-PC-SAFT parameters for [C n mim][NTf 2 ] ionic liquids have been developed. These correlations allow a nearly precise modeling of densities, including at elevated pressures and at temperatures up to ∼400 K, as well as accurate predictions of the isobaric heat capacities, velocities of sound, and compressibilities. The accuracy of these predictions is superior to that of ePC-SAFT. The available data reveal that solubilities of gases are directly related to their critical temperatures. As the critical temperatures increase, the gas−IL systems become more symmetric, and the solubilities increase. The intrinsic robustness of the CP-PC-SAFT model, along with its agreement with the pure-compound critical temperatures, give this model the capability to accurately predict VLE in [C n mim][NTf 2 ] systems of various gases, such as CO, O 2 , CH 4 , Kr, N 2 O, H 2 S, SO 2 , R134a, R1234ze(E), and CO 2 , without prior consideration of any mixture data or adjustment of binary parameters. At the same time, the entirely predictive implementation of the model poses unavoidable compromises in its accuracy. In particular, it overestimates LLE in the system R134a− [C 6 mim][NTf 2 ] and substantially underestimates the extent of phase splits in CO 2 solutions above ∼50 bar. The latter flaw can be corrected by implementing a universal set of binary adjustable parameters. Similar accuracy of modeling can also be achieved with this set of binary parameters and with their zero values in the cases of additional CO 2 −[NTf 2 − ] IL systems.

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Thermodynamic modeling of CO2 solubility in ionic liquid ([C n -mim] [Tf2N]; n=2, 4, 6, 8) with using Wong-Sandler mixing rule, Peng-Rabinson equation of state (EOS) and differential evolution (DE) method

Cited by 30 publications

References 25 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]

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

Implementation of CP-PC-SAFT for Predicting Thermodynamic Properties and Gas Solubility in 1-Alkyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquids without Fitting Binary Parameters

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