Solution Structures of 1-Butyl-3-methylimidazolium Hexafluorophosphate Ionic Liquid Saturated with CO<sub>2</sub>:  Experimental Evidence of Specific Anion−CO<sub>2</sub> Interaction

Kanakubo, Mitsuhiro; Umecky, Tatsuya; Hiejima, Yusuke; Aizawa, Takafumi; Nanjo, Hiroshi; Kameda, Yasuo

doi:10.1021/jp052354o

Cited by 88 publications

(94 citation statements)

References 25 publications

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“…The first view states that anion played the major role in CO 2 solubility in ILs and anions that contain fluoroalkyl groups were found to have some of the highest CO 2 solubility. 55,56 Whereas, the second view states that the solubility of CO 2 in ILs is dictated by the cation-anion interaction, while CO 2 -anion interaction is secondary. Moreover, a good correlation between the cation-anion binding energy and CO 2 solubility indicates that weaker cation-anion interaction is the dominant factor responsible for the higher CO 2 solubility.…”

Section: Resultsmentioning

confidence: 99%

Equimolar Carbon Dioxide Absorption by Ether Functionalized Imidazolium Ionic Liquids

Sharma¹,

Park

Park³

et al. 2012

Bulletin of the Korean Chemical Society

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A series [C 3 Omim][X] of imidazolium cation-based ILs, with ether functional group on the alkyl side-chain have been synthesized and structure of the materials were confirmed by various techniques like 1 H, 13C NMR spectroscopy, MS-ESI, FTIR spectroscopy and EA. More specifically, the influence of changing the anion with same cation is carried out. The absorption capacity of CO 2 for ILs were evaluated at 30 and 50 ºC at ambient pressure (0-1.6 bar). Ether functionalized ILs shows significantly high absorption capacity for CO 2 . In general, the CO 2 absorption capacity of ILs increased with a rise in pressure and decreased when temperature was raised. The obtained results showed that absorption capacity reached about 0.9 mol CO 2 per mol of IL at 30 ºC. The most probable mechanism of interaction of CO 2 with ILs were investigated using FTIR spectroscopy, 13C NMR spectroscopy and result shows that the absorption of CO 2 in ether functionalized ILs is a chemical process. The CO 2 absorption results and detailed study indicates the predominance of 1:1 mechanism, where the CO 2 reacts with one IL to form a carbamic acid. The CO 2 absorption capacity of ILs for different anions follows the trend: BF 4 < DCA < PF 6 < TfO < Tf 2 N. Moreover, the as-synthesized ILs is selective, thermally stable, long life operational and can be recycled at a temperature of 70 ºC or under vacuum and can be used repeatedly.

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Section: Resultsmentioning

confidence: 99%

Equimolar Carbon Dioxide Absorption by Ether Functionalized Imidazolium Ionic Liquids

Sharma¹,

Park

Park³

et al. 2012

Bulletin of the Korean Chemical Society

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“…This is consistent with the large difference of the potential and Coulombic energies. One can find some experimentally obtained g(r)'s under high-pressure conditions in heterogeneous liquids under high pressure (∼GPa) 41 or in ionic liquids under moderate pressures 42 (∼MPa).…”

Section: Iiib Comparison Between Correspondingmentioning

confidence: 99%

Molecular Dynamics Study of Thermodynamic Scaling of the Glass-Transition Dynamics in Ionic Liquids over Wide Temperature and Pressure Ranges

2010

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Experimentally, superpositioning of dynamic properties such as viscosity, relaxation times, or diffusion coefficients under different conditions of temperature T, pressure P, and volume V by the scaling variable TV γ (where γ is a material constant) has been reported as a general feature of many kinds of glass-forming materials. In the present work, molecular dynamics (MD) simulations have been performed to study the scaling of dynamics near the glass-transition regime of ionic liquids. Scaling in the simulated 1-ethyl-3-methylimidazolium nitrate (EMIM-NO 3 ) system has been tested over wide ranges of temperatures and pressures. TV γ scaling of the dynamics is well described by master curves with γ ) 4.0 ( 0.2 and 3.8 ( 0.2 for cation and anion, respectively. Structures and Coulombic terms of the corresponding states are found to be quite similar. The temperature and pressure dependence of the pair correlation function show similar trends and therefore can be superpositioned onto the master curve. Although the behaviors with γ ) 4 might be expected from the relation, γ ) n/3, for the dynamics with the soft-core-type potential U ) ε(σ/r) n , with n ) 12, pair potentials used in the MD simulation have a more complex form, and not all the repulsive terms can play their roles in the heterogeneous structures determined by ion-ion interactions. Scaling is related to the common part of effective potentials related to the pair correlation functions, including the many-body effect in real space.

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“…In a recent article, ILs with ether functionality has the ability to decrease the viscosity of ILs whereby the alkoxy chain is related to the high rotational flexibility and increases the total free volume [6,7]. Anions play a vital role in CO2 dissolution [8]. …”

Section: Introductionmentioning

confidence: 99%

Synthesis, characterization and application of 1-(2-cyanoethyl)-3-(3-methoxypropane)imidazolium bromide for CO₂capture

et al. 2017

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Abstract. Amine scrubbing is dominating in carbon dioxide (CO2) capturing technology because of its high affinity towards CO2. However, the drawbacks of amine solvents are its high corrosivity and volatility. Ionic liquids (ILs) have gained a lot of attention in recent years for CO2 capturing and have been proposed to be one of the promising alternative to the conventional solvents. The objective of this research is to design a new imidazolium based ether-nitrile functionalized ionic liquid of low viscosity to improve CO2 capturing. The molecular structure of the ionic liquid were confirmed by 1 H NMR, 13 C NMR and FTIR. The thermal properties; glass transition temperature, thermal decomposition temperature, and their physical properties; water content and density were determined. The solubility of CO2 in the synthesized ionic liquid was measured using pressure drop method. They showed high thermal stability above 200°C and the glass transition temperature was -49.80°C. The CO2 sorption in the newly synthesized IL was 0.08, 0.12, 0.29, 1.01, 2.30 mol of CO2/mol of IL at pressures 1, 5, 10, 15 and 20 bar respectively.

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Solution Structures of 1-Butyl-3-methylimidazolium Hexafluorophosphate Ionic Liquid Saturated with CO₂: Experimental Evidence of Specific Anion−CO₂ Interaction

Cited by 88 publications

References 25 publications

Equimolar Carbon Dioxide Absorption by Ether Functionalized Imidazolium Ionic Liquids

Equimolar Carbon Dioxide Absorption by Ether Functionalized Imidazolium Ionic Liquids

Molecular Dynamics Study of Thermodynamic Scaling of the Glass-Transition Dynamics in Ionic Liquids over Wide Temperature and Pressure Ranges

Synthesis, characterization and application of 1-(2-cyanoethyl)-3-(3-methoxypropane)imidazolium bromide for CO₂capture

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Solution Structures of 1-Butyl-3-methylimidazolium Hexafluorophosphate Ionic Liquid Saturated with CO2: Experimental Evidence of Specific Anion−CO2 Interaction

Cited by 88 publications

References 25 publications

Equimolar Carbon Dioxide Absorption by Ether Functionalized Imidazolium Ionic Liquids

Equimolar Carbon Dioxide Absorption by Ether Functionalized Imidazolium Ionic Liquids

Molecular Dynamics Study of Thermodynamic Scaling of the Glass-Transition Dynamics in Ionic Liquids over Wide Temperature and Pressure Ranges

Synthesis, characterization and application of 1-(2-cyanoethyl)-3-(3-methoxypropane)imidazolium bromide for CO2capture

Contact Info

Product

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Solution Structures of 1-Butyl-3-methylimidazolium Hexafluorophosphate Ionic Liquid Saturated with CO₂: Experimental Evidence of Specific Anion−CO₂ Interaction

Synthesis, characterization and application of 1-(2-cyanoethyl)-3-(3-methoxypropane)imidazolium bromide for CO₂capture