Ionic liquids in gas separation processing

Shang, Dawei; Li, Xinyan; Bai, Lu; Zeng, Shaojuan; Xu, Qiuxia; Gao, Hongshuai

doi:10.1016/j.cogsc.2017.03.015

Cited by 54 publications

(39 citation statements)

References 93 publications

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“…ILs complex behaviour and versatility stems from its structural heterogeneity and dynamic behaviour. Gas solubility is an important characteristic of ILs in the context of gas separation, [10] optimization of reactions, [11,12] greenhouse gas capture, [13] as antisolvent [14] and absorption of refrigerant gases. [15] The gas solubility in ILs depends on conditions of pressure, temperature, attractive/repulsive interactions and free volume within the IL.…”

Section: Introductionmentioning

confidence: 99%

The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach

et al. 2021

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This work comprises the study of solubilities of gases in ionic liquids (ILs) using a chemoinformatic approach. It is based on the codification, of the atomic inter-component interactions, cation/gas and anion/gas, which are used to obtain a pattern of activation in a Kohonen Neural Network (MOLMAP descriptors). A robust predictive model has been obtained with the Random Forest algorithm and used the maximum proximity as a confidence measure of a given chemical system compared to the training set. The encoding method has been validated with molecular dynamics. This encoding approach is a valuable estimator of attractive/repulsive interactions of a generical chemical system IL + gas. This method has been used as a fast/ visual form of identification of the reasons behind the differences observed between the solubility of CO 2 and O 2 in 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM PF 6 ) at identical temperature and pressure (TP) conditions, The effect of variable cation and anion effect has been evaluated.

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Section: Introductionmentioning

confidence: 99%

The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach

et al. 2021

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“…In recent years, a lot of studies have been carried out focusing on conversion of H 2 S into elemental sulfur by using ILs [9]. Many studies have reported the potential use and candidacies of conventional room temperature ILs (RTILs) for H 2 S conversion experimentally [10,11].…”

Section: Introductionmentioning

confidence: 99%

Screening of Metal Chloride Anion-based Ionic Liquids for Direct Conversion of Hydrogen Sulfide by COSMO-RS

et al. 2021

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In order to identify the best possible reaction media for performing H2S conversion, a total number of 300 different ILs from a combination of 20 cations and 15 anions were screened via COSMO-RS model simulations. By COSMO-RS method, thermodynamic and physicochemical properties of 300 ILs such as Henry’s law constants, activity coefficient, selectivity, capacity and performance index are obtained and analyzed. Thus, by comparing the performance of ILs via COSMO-RS, a series of TSILs containing cation of [P66614] with metal chloride anions such as Fe, Ga and Sn were chosen and selected for synthesis based on their performance predicted by COSMO-RS and their economic values. Consequently, the physiochemical properties such as density, viscosity, thermal properties, as well as H2S absorptive oxidation performances in those TSILs will be systematically investigated.

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“…Ionic liquids (ILs) exhibit a number of unusual and advanced properties [ 1 , 2 , 3 ], making them prospective media for various chemical processes in many fields of modern science and technology [ 4 , 5 , 6 , 7 , 8 ]. ILs are suitable for many applications, including electrolytes in batteries [ 9 , 10 , 11 , 12 ], catalyses [ 5 , 13 ], solvents in liquid–liquid extractions [ 14 , 15 , 16 ], pharmaceutics and medicine [ 17 , 18 , 19 , 20 ]; they have also attracted considerable attention as reaction media for many organic reactions [ 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 ]. The most unusual characteristic of ILs is their nanoscale self-organization, leading to the formation of heterogeneities [ 28 , 29 ].…”

Section: Introductionmentioning

confidence: 99%

Validation of Structural Grounds for Anomalous Molecular Mobility in Ionic Liquid Glasses

et al. 2021

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Ionic liquid (IL) glasses have recently drawn much interest as unusual media with unique physicochemical properties. In particular, anomalous suppression of molecular mobility in imidazolium IL glasses vs. increasing temperature was evidenced by pulse Electron Paramagnetic Resonance (EPR) spectroscopy. Although such behavior has been proven to originate from dynamics of alkyl chains of IL cations, the role of electron spin relaxation induced by surrounding protons still remains unclear. In this work we synthesized two deuterated imidazolium-based ILs to reduce electron–nuclear couplings between radical probe and alkyl chains of IL, and investigated molecular mobility in these glasses. The obtained trends were found closely similar for deuterated and protonated analogs, thus excluding the relaxation-induced artifacts and reliably demonstrating structural grounds of the observed anomalies in heterogeneous IL glasses.

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Ionic liquids in gas separation processing

Cited by 54 publications

References 93 publications

The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach

The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach

Screening of Metal Chloride Anion-based Ionic Liquids for Direct Conversion of Hydrogen Sulfide by COSMO-RS

Validation of Structural Grounds for Anomalous Molecular Mobility in Ionic Liquid Glasses

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