Modeling solubility of CO 2 in aqueous MDEA solution using electrolyte SAFT-HR EoS

Najafloo, Azam; Feyzi, Farzaneh; Zoghi, Ali T.

doi:10.1016/j.jtice.2015.06.016

Cited by 19 publications

(8 citation statements)

References 51 publications

(138 reference statements)

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“…Although significant effort has been directed toward modeling ternary alkanolamine/water/CO 2 phase equilibria within the SAFT framework, − ,,,− much less attention has been paid to nonaqueous carbon capture cosolvents, despite their potential advantages over aqueous ones. To the authors’ best knowledge, only the soft-SAFT EoS − has been applied to modeling alkanolamine/organic cosolvent/CO 2 systems in the work of Alkhatib, Bahamon, and co-workers. ,, …”

Section: Introductionmentioning

confidence: 99%

Toward Nonaqueous Alkanolamine-Based Carbon Capture Systems: Parameterizing Amines, Secondary Alcohols, and Carbon Dioxide-Containing Systems in s-SAFT-γ Mie

Schulze-Hulbe,

Shaahmadi,

Burger

et al. 2023

Ind. Eng. Chem. Res.

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Replacement of aqueous alkanolamine-based carbon capture fluids with nonaqueous alternatives may be a promising route to reduce the energy requirements of current postcombustion carbon capture processes. In line with this, the s-SAFT-γ Mie predictive group contribution Equation of State is developed toward a description of the thermodynamic properties of nonaqueous alkanolamine-based carbon capture systems in this work. A consistent and systematic methodology is used to develop s-SAFT-γ Mie group interaction parameters required for modeling these systems. This entails extending the model to the primary amine (CH 2 NH 2 /NH 2 ) and secondary alcohol (CHOH) groups, as well as their interactions with the n-alkane (CH 2 and CH 3 ) and primary alcohol (CH 2 OH/OH) groups. Parameters were also developed for the interactions of CO 2 with the n-alkane, primary alcohol, and secondary alcohol groups, respectively. The model, with its active parameter sets, generally provides a robust description of the phase equilibria of the systems considered. This renders the developed parameters suitable for expanding the model to ternary-component alkanolamine-based nonaqueous carbon capture systems in further work.

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Section: Introductionmentioning

confidence: 99%

Toward Nonaqueous Alkanolamine-Based Carbon Capture Systems: Parameterizing Amines, Secondary Alcohols, and Carbon Dioxide-Containing Systems in s-SAFT-γ Mie

Schulze-Hulbe,

Shaahmadi,

Burger

et al. 2023

Ind. Eng. Chem. Res.

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“…Furthermore, the CO 2 loading in the liquid phase is defined as the moles of CO 2 absorbed in the liquid phase over the moles of MDEA in the solution as follows Meanwhile, it is necessary to say that, because of the low vapor pressure of MDEA in the temperature range 293–413 K (0.00076–2.58567 kPa), as well as very low IL vapor pressure, the vapor phase is considered to be free of them . Therefore, the vapor phase only contains CO 2 and H 2 O molecules and all ionic species are considered only in the liquid phase . In addition, changes in the liquid phase volume during the absorption of CO 2 are ignored and liquid phase is assumed to be incompressible.…”

Section: Methodsmentioning

confidence: 99%

“…67 Therefore, the vapor phase only contains CO 2 and H 2 O molecules and all ionic species are considered only in the liquid phase. 68 In addition, changes in the liquid phase volume during the absorption of CO 2 are ignored and liquid phase is assumed to be incompressible. This claim was already justified for pure [Bpy][BF 4 ], and the effect of CO 2 absorption in volume expansion of this IL was found to be negligible.…”

Section: Journal Of Chemical and Engineering Datamentioning

confidence: 99%

Experimental Study of Carbon Dioxide Solubility in Aqueous N-Methyldiethanolamine Solution with 1-Butylpyridinium Tetrafluoroborate Ionic Liquid

et al. 2018

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New experimental data for CO2 solubility in the aqueous solutions of N-methyldiethanolamine (MDEA) and 1-butylpyridinium tetrafluoroborate ([Bpy][BF4]) ionic liquid (IL) are reported. The experiments were conducted in a static high pressure equilibrium cell. Solubility measurement of CO2 was performed in various solution compositions of IL and MDEA in a wide temperature range of 298.15–343.15 K and pressures up to 4 MPa. The experimental results revealed that, by increasing the weight percent of IL, the absorption capacity of aqueous mixtures diminishes. It was also observed that the main capacity of CO2 loading in the absorbent solutions belonged to MDEA through chemical absorption, whereas its concentration was more effective than IL in gas solubility. The experimental results are correlated using a semiempirical model with good accuracy.

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“…Mohammad et al [48,92,93] PC-SAFT DH -T, V, i -W.Liu et al [94] LJ-SAFT nPMSA -T -Z.Liu et al [95] LJ-SAFT nPMSA -T, V I-I I-S Radosz et al [23,84] SAFT1 RP-MSA -T -Radosz et al [85][86][87][88] SAFT2 RP-MSA -T -Herzog Gross et al [96] PC-SAFT nPMSA T I-S Najafloo et al [97,98] SAFT-HR RP-MSA…”

Section: Available Equations Of State (Eos) For Mixed-solvent Electromentioning

confidence: 99%

Modeling of mixed-solvent electrolyte systems

Ahmed

Ferrando

Hemptinne

et al. 2018

Fluid Phase Equilibria

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Models for mixed-solvent strong electrolytes, using an equation of state (EoS) are reviewed in this work. Through the example of ePPC-SAFT (that includes a Born term and ionic association), the meaning and the effect of each contribution to the solvation energy and the mean ionic activity coefficient are investigated. The importance of the dielectric constant is critically reviewed, with a focus on the use of a salt-concentration dependent function. The parameterization is performed using two adjustable parameters for each ion: a minimum approach distance () and an association energy (). These two parameters are optimized by fitting experimental activity coefficient and liquid density data, for all alkali halide salts simultaneously, in the range 298K to 423K. The model is subsequently tested on a large number of available experimental data, including salting out of Methane/Ethane/CO 2 /H 2 S. In all cases the deviations in bubble pressures were below 20% AADP. Predictions of vapor-liquid equilibrium of mixed solvent electrolyte systems containing methanol, ethanol are also made where deviations in bubble pressures were found to be below 10% (AADP).

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Modeling solubility of CO 2 in aqueous MDEA solution using electrolyte SAFT-HR EoS

Cited by 19 publications

References 51 publications

Toward Nonaqueous Alkanolamine-Based Carbon Capture Systems: Parameterizing Amines, Secondary Alcohols, and Carbon Dioxide-Containing Systems in s-SAFT-γ Mie

Toward Nonaqueous Alkanolamine-Based Carbon Capture Systems: Parameterizing Amines, Secondary Alcohols, and Carbon Dioxide-Containing Systems in s-SAFT-γ Mie

Experimental Study of Carbon Dioxide Solubility in Aqueous N-Methyldiethanolamine Solution with 1-Butylpyridinium Tetrafluoroborate Ionic Liquid

Modeling of mixed-solvent electrolyte systems

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