A semi-empirical Henry's law expression for carbon dioxide dissolution in ionic liquids

Mortazavi-Manesh, Soheil; Satyro, Marco A.; Marriott, Robert A.

doi:10.1016/j.fluid.2011.05.006

Cited by 26 publications

(18 citation statements)

References 42 publications

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“…In this study, the approach proposed by Mortazavi‐Manesh et. al . was used to develop new models describing the solubility of H 2 S, CH 4 , and C 2 H 6 .…”

Section: Theorymentioning

confidence: 99%

“…Previously, a model was presented for prediction of the solubility of carbon dioxide in ILs in which COSMO‐RS was used to predict the unsymmetrical activity coefficients for CO 2 in ILs, and the Peng–Robinson equation of state was used to calculate the carbon dioxide fugacity coefficient and the molecular weight of ILs was used as the correlating parameter. In another study, the COSMO‐RS calculation was used to predict the pseudochemical potential of CO 2 in ILs, and the Soave–Redlich–Kwong equation of state was used to calculate the fugacity coefficient of the vapor phase and a three‐parameter model was proposed for standard state pseudochemical potential of CO 2 .…”

Section: Theorymentioning

confidence: 99%

“…All data were equally weighted for optimization due to lack of reliable uncertainty information in the original data. This global inclusion of data is due to limited availability and is a disadvantage when compared to calibration of our previous CO 2 models, where more IL solubility data were available for both calibration and external validation. The experimental H 2 S solubility database still provides diversity of cations such as bmim, emim, hmim, HOemim, and omim.…”

Section: Database Description and Model Developmentmentioning

confidence: 99%

“…Maiti has used the COSMO‐RS method to calculate the chemical potential of CO 2 in ILs and used a two‐parameter empirical model for calculations of the chemical potential of the pure CO 2 and used an equation of state for vapor‐phase nonideality corrections. Maiti's model generates large bias and average relative error (AAR) in estimations of the solubility of CO 2 in ILs . Mortazavi‐Manesh et al modified the Maiti's model, where the bias and the AAR of the estimations were significantly reduced.…”

Section: Introductionmentioning

confidence: 99%

“…Recently, Mortazavi‐Manesh et. al . proposed a generalized model to estimate the solubility of CO 2 in ILs in which the COSMO‐RS calculation was implemented to obtain the activity coefficients for CO 2 in different ILs, and a Peng–Robinson equation of state was used to calculate the fugacity coefficients for high‐pressure CO 2 and a semiempirical correlation was used to estimate the Henry's law constant.…”

Section: Introductionmentioning

confidence: 99%

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Screening ionic liquids as candidates for separation of acid gases: Solubility of hydrogen sulfide, methane, and ethane

2013

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The solubility of the major constituents of natural gas in ionic liquids (ILs) can be used to identify their potential for acid gas removal from a producing gas stream. We have developed models for the solubility of H 2 S, CH 4 , and C 2 H 6 in ILs at typical conditions encountered in natural gas treatment. In this work, a conductor-like screening model for realistic solvation was used to predict the activity coefficients for solutes in ILs and a cubic EOS was used for vapor-phase corrections from ideality. Empirical correlations were developed to extrapolate solubilities where experimental data are not available at desired conditions; targeted in this study at 298.15 K and 2000 kPa. Over 400 possible ILs were ranked based on the higher selectivity of absorption of CO 2 and H 2 S over CH 4 and C 2 H 6 . The best 15% (58) of promising ILs for sour gas treatment predominantly contain the anions BF 4 , NO 3 , and CH 3 SO 4 and the cations N 4111 , pmg, and tmg.

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“…In this study, the approach proposed by Mortazavi‐Manesh et. al . was used to develop new models describing the solubility of H 2 S, CH 4 , and C 2 H 6 .…”

Section: Theorymentioning

confidence: 99%

Section: Theorymentioning

confidence: 99%

Section: Database Description and Model Developmentmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Screening ionic liquids as candidates for separation of acid gases: Solubility of hydrogen sulfide, methane, and ethane

2013

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Ionic liquids for absorption and separation of gases: An extensive database and a systematic screening method

et al. 2017

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Ionic liquids (ILs) have attracted considerable attention in both the academic and industrial communities for absorbing and separating gases. However, a data‐rich and well‐structured systematic database has not yet been established, and screening for highly efficient ILs meeting various requirements remains a challenging task. In this study, an extensive database of estimated Henry's law constants of twelve gases in more than ten thousand ILs at 313.15 K is established using the COSMO‐RS method. Based on the database, a new systematic and efficient screening method for IL selection for the absorption and separation of gases subject to important target properties is proposed. Application of the database and the screening method is highlighted through case studies involving two important gases separation problems (CO2 from CH4 and C2H2 from C2H4). The results demonstrate the effectiveness of using the screening method together with the database to explore and screen novel ILs meeting specific requirements for the absorption and separation of gases. © 2017 American Institute of Chemical Engineers AIChE J, 63: 1353–1367, 2017

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Modelling carbon dioxide solubility in ionic liquids

2012

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Solubility information for CO2 in different ionic liquids, ILs, in part can potentially be used to select a specific IL for the separation of CO2 from hydrocarbon fluids. Unfortunately, not all CO2–IL systems have been experimentally described at similar temperatures and pressures; therefore, a direct comparison of performance by process simulation is not always possible. In the extreme cases, the design of a CO2 separation process may require predicting the CO2–IL equilibria for which there are no available solubility data. To address the need for this information, a semi‐empirical correlation was developed to estimate the dissolution of CO2 in CO2–IL solvent systems. The theoretical COSMO–RS calculation method was used to calculate the chemical potential of CO2 in a wide variety of ILs and the Soave–Redlich–Kwong equation was used to calculate the fugacity coefficient of the CO2 vapour phase. The model was correlated with available literature data, yielding an average error of AAR = 23% and small bias. © 2012 Canadian Society for Chemical Engineering

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A semi-empirical Henry's law expression for carbon dioxide dissolution in ionic liquids

Cited by 26 publications

References 42 publications

Screening ionic liquids as candidates for separation of acid gases: Solubility of hydrogen sulfide, methane, and ethane

Screening ionic liquids as candidates for separation of acid gases: Solubility of hydrogen sulfide, methane, and ethane

Ionic liquids for absorption and separation of gases: An extensive database and a systematic screening method

Modelling carbon dioxide solubility in ionic liquids

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