Prediction of Gas Solubilities by a Modified UNIFAC‐Equation

Nocon, G.; Weidlich, Ulrich; Gmehling, Jürgen; Onken, Ulfert

doi:10.1002/bbpc.19830870107

Cited by 33 publications

(33 citation statements)

References 21 publications

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“… New group binary interaction parameters obtained in this work; others are collected from the Refs. , , and .…”

Section: Unifac‐lei Modelmentioning

confidence: 99%

“… The most recent UNIFAC‐Lei parameter matrix . UNIFAC parameters formerly available in the literature; parameters published in our previous works; parameters have been submitted for publication; parameters added by other researchers using the UNIFAC‐Lei method; new parameters evaluated in this work; parameters are not available. [Color figure can be viewed at http://wileyonlinelibrary.com]…”

Section: Process Simulationmentioning

confidence: 99%

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CO₂ capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation

2018

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The CO 2 solubility data in the ionic liquid (IL) 1-allyl-3-methylimidazolium bis(trifluoromethyl sulfonyl)imide, methanol (MeOH), and their mixture with different combinations at temperatures of 313.2, 333.2, and 353.2 K and pressures up to 6.50 MPa were measured experimentally. New group binary interaction parameters of the predictive universal quasichemical functional-group activity coefficient (UNIFAC)-Lei model, which has been continually advanced by our group, were introduced by correlating the experimental data of this work and the literature. The consistency between experimental data and predicted results proves the reliability of UNIFAC-Lei model for CO 2 -IL-organic solvent systems. The newly obtained parameters were incorporated into the UNIFAC property model of Aspen Plus software to optimize a conceptual process developed for the purification of a CO 2 -containing gas stream. The simulation results indicate that the use of IL either mixed with MeOH or purely considerably lowers the process power consumption and improves the process performance in terms of CO 2 capture rate and solvent loss. ðx 1 Þ n 5Fðm 1 ; m 2 ; m 3 ; m 4 ; m 5 Þ (1) Figure 2. Flow sheet of the CO 2 capture processes developed in this work.Lines, predicted results by the UNIFAC-Lei model; scattered points, experimental data. ( ) pure [AMIM] 1 [Tf 2 N] 2 ; ( ) 80 wt % [AMIM] 1 [Tf 2 N] 2 1 20 wt % MeOH; ( ) 50 wt % [AMIM] 1 [Tf 2 N] 2 1 50 wt % MeOH; ( ) 20 wt % [AMIM] 1 [Tf 2 N] 2 1 80 wt % MeOH; ( ) pure MeOH. [Color figure can be viewed at wileyonlinelibrary.com]

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“… New group binary interaction parameters obtained in this work; others are collected from the Refs. , , and .…”

Section: Unifac‐lei Modelmentioning

confidence: 99%

Section: Process Simulationmentioning

confidence: 99%

CO₂ capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation

2018

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“…The two expressions are difficult to parametrize, since both * ( , ) and ( , ) tend to be independent of the model parameters, as becomes small. An evidence of this, is the fact that solubilities of H 2 and N 2 in water up to 1000 bar were correctly described by the Krichevsky- For reduced temperatures above 1 the exact value of the hypothetical liquid fugacity is ambiguous 28 ; yet its value needs to be consistent at least within the same thermodynamic model.…”

Section: Links Between Saturation Pressure and Henry's Law Constantmentioning

confidence: 99%

“…In the past only few authors used this principle in order to express the fugacity of the supercritical component in a mixture applying the symmetric framework 28,29 . Its application in the customary un-symmetric approach to prevent thermodynamic inconsistency and wrong property prediction of particularly ∞ ( ), has not been used in literature studies.…”

Section: Links Between Saturation Pressure and Henry's Law Constantmentioning

confidence: 99%

Solubility of Syngas Components in Water, Acetic Acid, and Alcohol Using New Standard Fugacity Methodology

Torli¹,

Geer

Kontogeorgis³

et al. 2018

Ind. Eng. Chem. Res.

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“…The UNIFAC group binary interaction parameters used in this work are listed in Table . The meanings of abbreviations for all anions and cations of ILs throughout this manuscript are listed in Supporting Information Table S1.…”

Section: Predictive Thermodynamic Modelsmentioning

confidence: 99%

Gas drying with ionic liquids

et al. 2017

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The gas drying technology with ionic liquids (ILs) was systematically studied ranging from the molecular level to industrial scale. The COSMO‐RS model was first used to screen the suitable IL and provide theoretical insights at the molecular level. Toward CO2 gas dehydration, we measured the CO2 solubility in single [EMIM][Tf2N] and in the [EMIM][Tf2N] + H2O mixture, as well as the vapor‐liquid equilibrium (VLE) of [EMIM][Tf2N] + H2O system, to justify the applicability of UNIFAC model. Based on the thermodynamic study, the rigorous equilibrium (EQ) stage mathematical model was established for process simulation. The gas drying experiment with IL was also performed and the water content in gas product can be reduced to 375 ppm. It was confirmed that a less flow rate of absorbent, a higher CO2 recovery ratio and a much lower energy consumption can be achieved with IL than with the conventional triethylene glycol (TEG). © 2017 American Institute of Chemical Engineers AIChE J, 64: 606–619, 2018

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Prediction of Gas Solubilities by a Modified UNIFAC‐Equation

Cited by 33 publications

References 21 publications

CO₂ capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation

CO₂ capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation

Solubility of Syngas Components in Water, Acetic Acid, and Alcohol Using New Standard Fugacity Methodology

Gas drying with ionic liquids

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Prediction of Gas Solubilities by a Modified UNIFAC‐Equation

Cited by 33 publications

References 21 publications

CO2 capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation

CO2 capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation

Solubility of Syngas Components in Water, Acetic Acid, and Alcohol Using New Standard Fugacity Methodology

Gas drying with ionic liquids

Contact Info

Product

Resources

About

CO₂ capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation

CO₂ capture by methanol, ionic liquid, and their binary mixtures: Experiments, modeling, and process simulation