Theoretical and Experimental Studies of CO2 and H2 Separation Using the 1-Ethyl-3-methylimidazolium Acetate ([emim][CH3COO]) Ionic Liquid

2011 ◽  
Vol 116 (1) ◽  
pp. 283-295 ◽  
Author(s):  
Wei Shi ◽  
Christina R. Myers ◽  
David R. Luebke ◽  
Janice A. Steckel ◽  
Dan C. Sorescu
Keyword(s):  
Ionic Liquid ◽  
Experimental Studies

Theoretical and experimental studies of ionic liquid-urea mixtures on chitosan dissolution: Effect of cationic structure

2020 ◽  
Vol 317 ◽  
pp. 113918 ◽  
Author(s):  
Linghua Zhuang ◽  
Fei Zhong ◽  
Mengyi Qin ◽  
Yu Sun ◽  
Xiaoyan Tan ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Experimental Studies

Transport Anomalies Emerging from Strong Correlation in Ionic Liquid Electrolytes

2019 ◽  
Author(s):  
Nicola Molinari ◽  
Jonathan P. Mailoa ◽  
Nathan Craig ◽  
Jake Christensen ◽  
Boris Kozinsky
Keyword(s):  
Ionic Liquid ◽  
Species Interactions ◽  
Clustering Algorithm ◽  
Experimental Studies ◽  
Transference Number ◽  
Liquid Electrolyte ◽  
Total Conductivity ◽  
Single Linkage ◽  
Ionic Liquid Electrolyte ◽  
Dynamics Simulations

<div>Recent works on ionic liquid electrolyte systems motivate the present study of transport regimes where strong species interactions result in significant correlations and deviations from ideal solution behaviour. In order to obtain a complete description of transport in these systems we use rigorous concentrated solution theory coupled with molecular dynamics simulations, beyond the commonly used uncorrelated Nernst-Einstein equation. As a case study, we investigate the NaFSI - Pyr<sub>13</sub>\FSI room temperature ionic liquid electrolyte. When fully accounting for intra- and inter-species correlation, an anomalously low and even negative transference number emerges for NaFSI molar fractions lower than 0.2, emphasising that strong ion-ion coupling in the electrolyte can significantly impact the rate performance of the cell. With increasing concentration the transference number monotonically increases, approaching unity, while the total conductivity decreases as the system transitions to a state resembling a single-ion solid-state electrolyte. The degree of spatial ionic association is explored further by employing a variant of unsupervised single-linkage clustering algorithm. Using this combination of numerical techniques we examine the microscopic mechanisms responsible for the trade-off between key electrolyte transport properties, previously overlooked in both computational and experimental studies.</div>

Experimental studies of electrorheological properties of lubricating oils containing ionic liquid. Part 3. Microscopic examination of the ER effect mechanism

2020 ◽  
Vol 69 (3) ◽  
pp. 59-75
Author(s):  
Jarosław Juda ◽  
Tadeusz Kałdoński ◽  
Krzysztof Gocman ◽  
Tomasz Jan Kałdoński ◽  
Czesław Pakowski
Keyword(s):  
Ionic Liquid ◽  
Ionic Liquids ◽  
Experimental Studies ◽  
Threshold Value ◽  
Optical Microscope ◽  
Elec Tric Field ◽  
Lubricating Oils ◽  
Liquid Part ◽  
Electrorheological Properties

The article presents the results of in situ microscopic observations of quasihomogenic mixtures of hydrocarbon oils containing ionic liquids. Observations were made using NIKON ECLIPSE LV 100 D optical microscope. The mechanism of generating the ER effect in two mixtures was observed, i.e., in silicone damping liquid GP-1, which is polimethylsiloksane mixture containing 2% (v/v) of ionic liquid CJ 001, i.e., tetrafluoroboran 1-methyl-3-octyloxymethylimidazolium and base polialfaolefine oil PAO-6 which containing 2% (v/v) of ionic liquid CJ 008, i.e., trihexyltertradecylfosfonium bis(trifluoromethylsulfonyl) imide as well as in the two-component standard liquid LID3354s. The ob-servations carried out showed that the prepared mixtures had generated the ER effect. At the threshold value E = 0.3 kV·mm–1, the ER effect disappeared. Photographs, presented in the paper, show changes in the structure of mixtures containing ionic liquids that occur under the influence of an external elec-tric field, consisting in the formation of „fibril chains and/or fibril streams” and then, their destruction and accumulation of ionic liquid particles at the electrodes. Keywords: electrorheological effect (ER), lubricating oils, ionic liquids, microscopy.

A concerted addition mechanism in [Hmim]Br-triggered thiol–ene reactions: a typical “ionic liquid effect” revealed by DFT and experimental studies

2019 ◽  
Vol 43 (15) ◽  
pp. 5752-5758 ◽  
Author(s):  
Lin Feng ◽  
Renlong Ye ◽  
Tao Yuan ◽  
Xiao Zhang ◽  
Guo-ping Lu ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Experimental Studies ◽  
Ene Reactions ◽  
One Step

The π+–π and H-bond interactions between [Hmim]Br and substrates promote a special one-step addition mechanism in thiol–ene reactions.

Transport Anomalies Emerging from Strong Correlation in Ionic Liquid Electrolytes

2019 ◽  
Author(s):  
Nicola Molinari ◽  
Jonathan P. Mailoa ◽  
Nathan Craig ◽  
Jake Christensen ◽  
Boris Kozinsky
Keyword(s):  
Ionic Liquid ◽  
Species Interactions ◽  
Clustering Algorithm ◽  
Experimental Studies ◽  
Transference Number ◽  
Liquid Electrolyte ◽  
Total Conductivity ◽  
Single Linkage ◽  
Ionic Liquid Electrolyte ◽  
Dynamics Simulations

<div>Recent works on ionic liquid electrolyte systems motivate the present study of transport regimes where strong species interactions result in significant correlations and deviations from ideal solution behaviour. In order to obtain a complete description of transport in these systems we use rigorous concentrated solution theory coupled with molecular dynamics simulations, beyond the commonly used uncorrelated Nernst-Einstein equation. As a case study, we investigate the NaFSI - Pyr<sub>13</sub>\FSI room temperature ionic liquid electrolyte. When fully accounting for intra- and inter-species correlation, an anomalously low and even negative transference number emerges for NaFSI molar fractions lower than 0.2, emphasising that strong ion-ion coupling in the electrolyte can significantly impact the rate performance of the cell. With increasing concentration the transference number monotonically increases, approaching unity, while the total conductivity decreases as the system transitions to a state resembling a single-ion solid-state electrolyte. The degree of spatial ionic association is explored further by employing a variant of unsupervised single-linkage clustering algorithm. Using this combination of numerical techniques we examine the microscopic mechanisms responsible for the trade-off between key electrolyte transport properties, previously overlooked in both computational and experimental studies.</div>

scholarly journals Electrogenerated BF3 From Tetrafluoroborate-Based Ionic Liquids: Theoretical And Experimental Studies Towards Selective Styrene Oxide Isomerization

2021 ◽  
Author(s):  
Marta Feroci ◽  
Martina Bortolami ◽  
Rita Petrucci ◽  
Giuseppe Zollo ◽  
Fabrizio Vetica ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Computational Analysis ◽  
Styrene Oxide ◽  
Experimental Studies ◽  
Model Reaction ◽  
Imidazolium Ionic Liquid ◽  
Experimental Conditions ◽  
Imidazolium Ring ◽  
The One ◽  
Selective Formation

Abstract The anodic oxidation of tetrafluoroborate anion yields the Lewis acid BF3. If this reaction is carried out in an imidazolium ionic liquid, a quite stable system containing BF3 is obtained, whose reactivity is similar to the one of BF3·Et2O, but less harmful. The two reagents’ stabilities were compared by computational analysis, strongly suggesting a higher stability for BF3/BMIm-BF4 system. The effect of substituents on the imidazolium ring and of the electrochemical configuration on BF3 reactivity were studied in a model reaction, styrene oxide isomerization. The experimental conditions were defined for the selective formation of phenylacetaldehyde or of 2-benzyl-4-phenyl-1,3-dioxolane. Moreover, the formation of N-heterocyclic carbene-BF3 adduct was confirmed when carrying out the electrolysis in an undivided cell. Electrogenerated BF3/BMIm-BF4 system demonstrated to be a valid alternative to commercial BF3·Et2O.

Sign in / Sign up

Export Citation Format

Share Document