Solubility of H2S in Ionic Liquids 1-Ethyl-3-methylimidazolium Hexafluorophosphate ([emim][PF6]) and 1-Ethyl-3-methylimidazolium Bis(trifluoromethyl)sulfonylimide ([emim][Tf2N])

Sakhaeinia, Hossein; Jalili, Amir Hossein; Taghikhani, Vahid; Safekordi, Ali Akbar

doi:10.1021/je100794k

Cited by 117 publications

(69 citation statements)

References 29 publications

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“…The Krichevsky-Kasarnovsky equation has been widely applied to calculate the solubility of gases in liquid solvents up to high pressures [32–35]. This equation can be described as follows [36]:

ln \frac{f_{2} (T, P)}{x_{2}} = ln H_{2}^{P_{1}^{S}} + \frac{{\overset{V}{true}}_{2}^{\infty} (P - P_{1}^{S})}{R T}

…”

Section: Resultsmentioning

confidence: 99%

CO2 Capture and Separation Properties in the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Nonafluorobutylsulfonate

2014

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Recently, the use of ionic liquids (ILs) for carbon capture and separation processes has gained great interest by many researchers due to the high solubility of CO2 in ILs. In the present work, solubility measurements of CO2 in the novel IL 1-n-butyl-3-methylimidazolium nonafluorobutylsulfonate [C4mim][CF3CF2CF2CF2SO3] were performed with a high-pressure view-cell technique in the temperature range from 293.15 to 343.15 K and pressures up to about 4.2 MPa. For comparison, solubilities of H2, N2, and O2 in the IL were also measured at 323.15 K via the same procedure. The Krichevsky-Kasarnovsky equation was employed to correlate the measured solubility data. Henry’s law constants, enthalpies, and entropies of absorption for CO2 in the IL were also determined and presented. The CO2 solubility in this IL was compared with other ILs sharing the same cation. It was shown that the solubility of CO2 in these ILs follows the sequence: [C4mim][CF3CF2CF2CF2SO3] ≈ [C4mim][Tf2N] > [C4mim][CF3CF2CF2COO] > [C4mim][BF4], and the solubility selectivity of CO2 relative to O2, N2, and H2 in [C4mim][CF3CF2CF2CF2SO3] was 8, 16, and 22, respectively. Furthermore, this IL is regenerable and exhibits good stability. Therefore, the IL reported here would be a promising sorbent for CO2.

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ln \frac{f_{2} (T, P)}{x_{2}} = ln H_{2}^{P_{1}^{S}} + \frac{{\overset{V}{true}}_{2}^{\infty} (P - P_{1}^{S})}{R T}

…”

Section: Resultsmentioning

confidence: 99%

CO2 Capture and Separation Properties in the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Nonafluorobutylsulfonate

2014

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“…[18][19][20][21] Because of their attractive features such as negligible volatility, good thermal stability and tunable functionality, many experimental and theoretical studies have been performed to explore the properties of diverse ILs towards the removal of H 2 S. 22,23 For example, Jalili et al 24,25 reported a plenty of solubility data of H 2 S in a variety of imidazolium-based ILs in a wide range of temperature and pressure, and found that H 2 S solubility in 1-butyl-3-methylimidazoliumbased ILs follows the order: [Tf 2 N] ->[PF 6 ] ->[BF 4 ] -. Sakhaeinia et al 26 showed that the solubilities of H 2 S in 1-(2-hydroxyethyl)-3-methyl-imidazolium-based ILs are greater than those 4 of CO 2 and the number of trifluoromethyl (-CF 3 ) groups can affect the solubility of both gases.…”

Section: Introductionmentioning

confidence: 99%

Ionic Liquid/Metal–Organic Framework Composites for H₂S Removal from Natural Gas: A Computational Exploration

et al. 2015

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The separation of H 2 S/CH 4 mixture was computationally examined in the composites of ionic liquids (ILs) supported on metal-organic frameworks (MOFs) at room temperature. Cu-TDPAT was selected as supporter for four types of ILs combined from identical cation [BMIM] + with different anions ([Cl] -, [Tf 2 N] -, [PF 6 ]and [BF 4 ] -). The results show that introducing ILs into Cu-TDPAT can greatly enhance the adsorption affinity towards H 2 S compared to the pristine MOF, and the strongest enhancement occurs in the composite containing the anion [Cl]with the smallest size. The H 2 S/CH 4 adsorption selectivities of each composite are significantly higher than those of the pristine Cu-TDPAT within the pressure range examined, and the selectivity generally shows an increasing trend with increasing the loading of the IL. By further taking the H 2 S working capacity into account, this work also reveals that the [BMIM][Cl]/Cu-TDPAT composite exhibits the best separation performance in both VSA and PSA processes. These findings may provide useful information for the design of new promising IL/MOF composites applied for H 2 S capture from natural gas. smaller. As a result, taking the working capacity and selectivity into account, it can be concluded that the [BMIM][Cl]/Cu-TDPAT composite with a loading of 25 IL molecules has the best properties for H 2 S/CH 4 separation in both the VSA and PSA processes. CONCLUSIONSMolecular simulations have been performed to investigate the performance of IL/Cu-TDPAT composites for the separation of H 2 S/CH 4 mixture. The ILs considered in this work are composed of identical cation [BMIM] + and four types of anions ([Cl] -, [Tf 2 N] -, [PF 6 ]and [BF 4 ] -) with a large diversity in chemical property, shape and size. The results show that the anions of the ILs are preferentially located near the Cu atoms of the MOF framework, while the cations are located near the organic linkers. The adsorption affinity towards H 2 S is significantly enhanced by incorporating each IL into the pores of Cu-TDPAT, with the highest heat of adsorption in the composite containing the anion [Cl]with the smallest size. In addition, this work demonstrates that the [BMIM][Cl]/Cu-TDPAT composite exhibits the best separation performance in both VSA and PSA processes, by taking both the adsorption selectivity and working capacity into account. On the basis of the results obtained in current study, it can be expected that the use of MOFs as the supporter for ILs is an alternative efficient strategy to generate new promising adsorbents for practical H 2 S separation related to natural gas purification. ASSOCIATED CONTENT Supporting Information. Details of the force field parameters, structures of some IL/Cu-TDPAT composites, and some simulation results. This material is available free of charge via the Internet at

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“…In addition, the removal of H 2 S from industrial gas and oil streams is an essential step because of its undesirably high toxicity and corrosiveness [5]; thus, the application of ILs for H 2 S removal purposes requires knowledge of the H 2 S solubility in ILs. Although experimental measurements are broadly available and can already provide some insights into the understanding of gas solubility in ILs [5][6][7][8][9][10][11][12][13][14][15], such measurements are often difficult, time-consuming and expensive. It is thus desirable to develop theoretical models that are able to estimate the gas solubility in ILs over a wide range of system conditions.…”

Section: Introductionmentioning

confidence: 99%

Modeling imidazolium-based ionic liquids with ePC-SAFT. Part II. Application to H2S and synthesis-gas components

Held

Sadowski

2014

Fluid Phase Equilibria

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a b s t r a c t ePC-SAFT was used to model the gas solubility in ionic liquids (ILs) ] (n = 2, 4, 6 and 8). For the ePC-SAFT modeling, each IL was considered to be completely dissociated into a cation and an anion. Each ion was modeled as a non-spherical species exerting repulsive, dispersive and Coulomb forces. CO, H 2 and O 2 were modeled as non-spherical molecules exerting repulsive and dispersive forces, and H 2 S was modeled as a non-spherical, associating molecule. ePC-SAFT reasonably predicts the gas solubility in the considered gas/IL mixtures. In order to describe the experimental gas solubilities quantitatively in a broad temperature and pressure range, one ion-specific binary interaction parameter between the IL-anion and the gas was applied, which was allowed to depend linearly on temperature.

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Solubility of H₂S in Ionic Liquids 1-Ethyl-3-methylimidazolium Hexafluorophosphate ([emim][PF₆]) and 1-Ethyl-3-methylimidazolium Bis(trifluoromethyl)sulfonylimide ([emim][Tf₂N])

Cited by 117 publications

References 29 publications

CO2 Capture and Separation Properties in the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Nonafluorobutylsulfonate

CO2 Capture and Separation Properties in the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Nonafluorobutylsulfonate

Ionic Liquid/Metal–Organic Framework Composites for H₂S Removal from Natural Gas: A Computational Exploration

Modeling imidazolium-based ionic liquids with ePC-SAFT. Part II. Application to H2S and synthesis-gas components

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Solubility of H2S in Ionic Liquids 1-Ethyl-3-methylimidazolium Hexafluorophosphate ([emim][PF6]) and 1-Ethyl-3-methylimidazolium Bis(trifluoromethyl)sulfonylimide ([emim][Tf2N])

Cited by 117 publications

References 29 publications

CO2 Capture and Separation Properties in the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Nonafluorobutylsulfonate

CO2 Capture and Separation Properties in the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Nonafluorobutylsulfonate

Ionic Liquid/Metal–Organic Framework Composites for H2S Removal from Natural Gas: A Computational Exploration

Modeling imidazolium-based ionic liquids with ePC-SAFT. Part II. Application to H2S and synthesis-gas components

Contact Info

Product

Resources

About

Solubility of H₂S in Ionic Liquids 1-Ethyl-3-methylimidazolium Hexafluorophosphate ([emim][PF₆]) and 1-Ethyl-3-methylimidazolium Bis(trifluoromethyl)sulfonylimide ([emim][Tf₂N])

Ionic Liquid/Metal–Organic Framework Composites for H₂S Removal from Natural Gas: A Computational Exploration