Understanding temperature dependency of hydrogen solubility in ionic liquids, including experimental data in [bmim][Tf<sub>2</sub>N]

Raeissi, Sona; Peters, CJ Cor

doi:10.1002/aic.13742

Cited by 41 publications

(28 citation statements)

References 39 publications

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“…It should be noticed that we do not report the solubility data of H 2 in ILs at low temperatures in this work, because H 2 solubility exhibits a so‐called “inverse” temperature effect . In contrast to CO and CO 2 solubility, H 2 solubility tends to decrease at low temperatures.…”

Section: Methodsmentioning

confidence: 85%

“…Unfortunately, although the literature contains a huge number of solubility data of CO 2 in ILs, even including data collected at low temperatures down to 228 K, the solubility data of CO or H 2 in ILs are very limited, involving approximately 200 and 600 data points for IL‐CO and IL‐H 2 systems, respectively. Furthermore, no solubility data for CO or H 2 in ILs at low temperatures (below 273.2 K) have been reported thus far.…”

Section: Introductionmentioning

confidence: 99%

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UNIFAC model for ionic liquid‐CO (H₂) systems: An experimental and modeling study on gas solubility

et al. 2014

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in Wiley Online Library (wileyonlinelibrary.com)The universal quasichemical functional-group activity coefficients (UNIFAC) model for ionic liquids (ILs) has become notably popular because of its simplicity and availability via modern process simulation softwares. In this work, new group binary interaction parameters (a mn and a nm ) between CO (H 2 ) and IL groups were obtained by correlating the solubility data in pure ILs at high temperatures (above 273.2 K) collected from the literature. the solubility of CO in [BMIM] 1 [BF 4 ] 2 , [OMIM] 1 [BF 4 ] 2 , [OMIM] 1 [Tf 2 N] 2 , and their mixtures, as well as that of H 2 in [EMIM] 1 [BF 4 ] 2 , [BMIM] 1 [BF 4 ] 2 , [OMIM] 1 [Tf 2 N] 2 , and their mixtures, at temperatures from 243.2 to 333.2 K and pressures up to 6.0 MPa were measured. The UNIFAC model was observed to well predict the solubility in pure and mixed ILs at both high (above 273.2 K) and low (below 273.2 K) temperatures. Moreover, the selectivity of CO (or H 2 ) to CO 2 in ILs increases with decreasing temperature, indicating that low temperatures favor for gas separation.

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Section: Methodsmentioning

confidence: 85%

Section: Introductionmentioning

confidence: 99%

UNIFAC model for ionic liquid‐CO (H₂) systems: An experimental and modeling study on gas solubility

et al. 2014

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“…The similar trends were also found for 1-butyl-3-methylimidazolium bis (trifluoromethylsulfonyl)imide ([C 4 MIM][Tf 2 N])-gas systems. 33,34 The reason for the difference on temperature dependency of gas solubility will be discussed below. In addition, the solubility data predicted by COSMO-RS model using COSMOtherm X software are also listed in Supporting Information Tables S3-S5, and the results indicated that the predicted accuracy of COSMO-RS model is worse than that of UNIFAC-Lei model, especially for CO-IL systems.…”

Section: Solubility and Selectivity Of Gases In [C N Mim][x]mentioning

confidence: 99%

Gas solubility in long‐chain imidazolium‐based ionic liquids

2017

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Significance The gas solubility in 1‐dodecyl‐3‐methylimidazolium [C12MIM] based ionic liquids (ILs) was measured at temperatures (333.2, 353.2, and 373.2) K and pressures up to 60 bar for the first time. The popular UNIFAC‐Lei model was successfully extended to long‐chain imidazolium‐based IL and gas (CO2, CO, and H2) systems. The free volume theory was used to explain the gas solubility and selectivity in imidazolium‐based ILs by calculating the fractional free volume and free volume by the COSMO‐RS model. Furthermore, the excess enthalpy of gas‐IL system was concerned to provide new insights into temperature dependency of gas (CO2, CO, and H2) solubility in ILs. The experimental data, calculation, and theoretical analysis presented in this work are important in gas separations with ILs or supported ionic liquid membranes. © 2017 American Institute of Chemical Engineers AIChE J, 63: 1792–1798, 2017

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“…The increase in hydrogen solubility with temperature over wide temperature ranges has been observed previously for solutions of H 2 in many solvents, 41 including creosote, 42 water, 43 methanol, 44 toluene, 45 ionic liquids, 46 and PDMS. 10 In general it is thought that that the primary factors responsible for this behavior are small intermolecular forces between hydrogen and the solvent, and the decrease in solvent density with increasing temperature may increase the solubility.…”

Section: Energy and Fuelsmentioning

confidence: 71%

Thermally Stable Silicone Solvents for the Selective Absorption of CO₂ from Warm Gas Streams That Also Contain H₂ and H₂O

et al. 2016

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Polydimethylsiloxane (PDMS) is a promising hydrophobic, CO 2 -selective solvent for the absorption of CO 2 from a hot or warm water-rich, H 2 -rich, postwater−gas shift reactor (WGSR) stream in an integrated gasification combined cycle (IGCC) power plant. In this work, there are three hydrophobic silicones that are more thermally stable than PDMS, including an iron-stabilized PDMS (PDMS-Fe), poly(dimethyl-co-methylphenyl)siloxane (PDMMPS), and poly(dimethyl-co-diphenyl)-siloxane (PDMDPS). PDMDPS is an extremely poor CO 2 solvent, which is undesirable for the proposed separation, and a poor hydrogen solvent, which is a desirable trait. PDMDPS and PDMMPS absorb about the same amount of H 2 . Although PDMMPS is a much better CO 2 solvent than PDMDPS, PDMMPS is a slightly poorer CO 2 solvent than PDMS or PDMS-Fe. PDMS-Fe and PDMS are comparable hydrophobic solvents that exhibit the greatest solvent strength for CO 2 ; however, PDMS-Fe and PDMS absorb slightly more hydrogen than PDMDPS and PDMMPS. If the absorption/regeneration process is designed such that the solvent is exposed to temperatures no greater than 230°C, PDMS is recommended due to its low cost. For higher temperatures, the extremely low solubility of CO 2 in PDMDPS precludes its use as a CO 2 -selective solvent. The ferrosilicone additive in PDMS-Fe is designed to inhibit polymer degradation in an oxidizing environment, but it offers no additional stability in the oxygen-free closed system associated with the IGCC. PDMMPS absorbs less H 2 than PDMS or PDMS-Fe but is a slightly poorer CO 2 solvent than PDMS or PDMS-Fe. However, PDMMPS is thermally stable in closed systems to 300°C. Therefore, PDMMPS is recommended for prolonged high temperature use as the precombustion carbon capture absorber solvent at absorption/regeneration temperatures above 230°C. Although these hydrophobic silicones exhibit promising attributes for a warm or hot precombustion carbon capture process, the diminishing CO 2 solubility and increasing CO 2 solubility that occur with increasing temperature will challenge the economic viability of this proposed CO 2 -selective absorption process. ■ INTRODUCTIONChemical and physical absorption methods are typically used for the postcombustion and precombustion capture of CO 2 , respectively. 1 At low CO 2 partial pressures of ∼0.010−0.015 MPa associated with postcombustion capture of CO 2 from flue gas, amine solutions are favored because they will react with dilute concentrations of CO 2 to attain significant loadings. A 30 wt % solution of monoethanolamine (MEA) in water, for example, will bind CO 2 as a water-soluble ammonium carbamate at a 2:1 molar ratio of MEA:CO 2 , enabling this solution to absorb about 11 wt % CO 2 . CO 2 release and solvent regeneration is accomplished via heating. 1,2 Precombustion capture of CO 2 is typically accomplished with physical solvents, however, because the high CO 2 partial pressure in the post water−gas shift reactor (WGSR) gas stream is sufficient to cause the dissolution of significant amounts of CO ...

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Understanding temperature dependency of hydrogen solubility in ionic liquids, including experimental data in [bmim][Tf₂N]

Cited by 41 publications

References 39 publications

UNIFAC model for ionic liquid‐CO (H₂) systems: An experimental and modeling study on gas solubility

UNIFAC model for ionic liquid‐CO (H₂) systems: An experimental and modeling study on gas solubility

Gas solubility in long‐chain imidazolium‐based ionic liquids

Thermally Stable Silicone Solvents for the Selective Absorption of CO₂ from Warm Gas Streams That Also Contain H₂ and H₂O

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Understanding temperature dependency of hydrogen solubility in ionic liquids, including experimental data in [bmim][Tf2N]

Cited by 41 publications

References 39 publications

UNIFAC model for ionic liquid‐CO (H2) systems: An experimental and modeling study on gas solubility

UNIFAC model for ionic liquid‐CO (H2) systems: An experimental and modeling study on gas solubility

Gas solubility in long‐chain imidazolium‐based ionic liquids

Thermally Stable Silicone Solvents for the Selective Absorption of CO2 from Warm Gas Streams That Also Contain H2 and H2O

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Understanding temperature dependency of hydrogen solubility in ionic liquids, including experimental data in [bmim][Tf₂N]

UNIFAC model for ionic liquid‐CO (H₂) systems: An experimental and modeling study on gas solubility

UNIFAC model for ionic liquid‐CO (H₂) systems: An experimental and modeling study on gas solubility

Thermally Stable Silicone Solvents for the Selective Absorption of CO₂ from Warm Gas Streams That Also Contain H₂ and H₂O