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81 results for “ionic liquids”
Unlocking the Fluorine-Free Buoy Effect: Surface-Enriched Ruthenium Polypyridine Complexes in Ionic Liquids, DOI: 10.1002/open.202400092
<p>Controlling the local concentration of metal complexes at the surface of ionic liquids (ILs) is a highly sought-after objective due to its pivotal implications in supported ionic liquid phase (SILP) catalysis. Equally important is to avoid per- and polyfluorinated substances due to environmental concerns. Herein, we investigate the surface enrichment of Ru polypyridyl complexes with fluorine-free alkylic side groups of varying lengths and shapes, using the hydrophilic IL [C<sub>2</sub>C<sub>1</sub>Im][OAc] as solvent. Additional charged carboxylate groups are included into the polypyridyl ligands to increase the solubility of the complex in the IL. When the ligand system is functionalized with long and hydrophobic alkyl side chains, the complex predominantly localizes at the IL/vacuum interface, as deduced from angle-resolved X-ray photoelectron spectroscopy. Conversely, in the presence of short or more bulky substituents, no surface enrichment is observed. This buoy-like behaviour with fluorine-free side groups is explored for 0.05 %<sub>mol</sub> to 1 %<sub>mol</sub> solutions. Intriguingly, surface saturation occurs at approximately 0.5 %<sub>mol</sub>, which is beneficial to the efficient operation of catalytic systems featuring high surface areas, such as SILP catalysts.</p>
Tailoring the Surface Enrichment of a Pt Catalyst in Ionic Liquid Solutions by Choice of the Solvent, DOI: 10.1002/admi.202301085
<p>The so-called buoy-effect, that is, the targeted surface enrichment of a Pt catalyst dissolved in ionic liquids (ILs), is achieved by attaching perfluorinated alkyl chains to the ligand system, which drags the metal complex toward the interface. Using angle-resolved X-ray photoelectron spectroscopy, it is demonstrated how this surface enrichment can be tailored by variation of the solvent IL. In [C<sub>n</sub>C<sub>1</sub>Im][PF<sub>6</sub>] ILs (<em>n</em> = 2, 4, 8), the surface is fully saturated with the complex at 10%<sub>mol</sub> bulk content, while in [C<sub>4</sub>C<sub>1</sub>Im][Tf<sub>2</sub>N] only at 20%<sub>mol</sub> saturation is observed. At low catalyst concentrations of 1%<sub>mol</sub>, where saturation is not yet reached, the enrichment increases with decreasing length of the IL alkyl chain. As a general rule, the degree of surface enrichment decreases with the decrease in surface tension of the solvent IL, that is, in the order [C<sub>2</sub>C<sub>1</sub>Im][PF<sub>6</sub>] > [C<sub>4</sub>C<sub>1</sub>Im][PF<sub>6</sub>] > [C<sub>8</sub>C<sub>1</sub>Im][PF<sub>6</sub>] > [C<sub>4</sub>C<sub>1</sub>Im][Tf<sub>2</sub>N]. In ILs with very low surface tension, enrichment is even suppressed. These results reveal the surface tension of the solvent IL as rational parameter for tailoring the interfacial structure of IL-based catalyst systems, such as supported ionic liquid phase (SILP) catalysis, where the nature of the IL/gas interface is expected to strongly influence the performance of the process.</p>
Functionalized ionic liquid coatings in the Pd-catalyzed selective hydrogenation of acetylene in ethylene-rich feeds
<p>Raw data and python script as well as instructions for data evaluation</p>
(Data on) Regenerated cellulose-mineral composite films formed from dissolution in ionic liquid: comparing calcium carbonate and kaolinite particulate fillers
<p>This dataset covers outcomes of research performed by the authors at Aalto University during years 2023-2024. More indepth analysis of the results will be provided in a separate scientific publication.</p>
Hydrogenation with Dissolved Pt-Complexes Homogenously Distributed in the Ionic Liquid or Enriched at the Gas/Ionic Liquid Interface
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Reproducibility of electrochemical measurements with ionic liquids: Is the water content the decisive parameter?
<p>This project contains all the data shown in the figures of the manuscript (and the supporting information) entitled:<br>'Reproducibility of electrochemical measurements with ionic liquids: Is the water content the decisive parameter?'<br>(doi:10.26434/chemrxiv-2024-05d56).</p> <p>The data to each figure is provided in a subfolder where each curve is stored as a single CSV.<br>The filenames contain labels describing the curves.</p>
Modeling and Elucidating the Behavior of a Thermoresponsive LCST Ionic-Liquid
<p>Input files for RESP calculation of TMBS necessary to reproduce results presented in the paper:</p> <p>"Modeling and Elucidating the Behavior of a Thermoresponsive LCST Ionic-Liquid"</p> <p> by:</p> <p>Hussen O. Mohammed, Abel de Cozar, and Ronen Zangi</p> <p>Gromacs version 2023.1, used for all simulations in this work, is available to the public via the link https://manual.gromacs.org</p> <p> </p>
Underlying data for Preparation and characterization of vemurafenib microemulsion-based hydrogel using ionic liquid as the oil phase
<p><strong>Underlying data for Preparation and characterization of vemurafenib microemulsion-based hydrogel using ionic liquid as the oil phase</strong></p>
Revealing the role of ionic liquids in promoting fuel cell catalysts reactivity and durability
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Transcriptome analysis of ionic-liquid tolerant Bacillus amyloliquefaciens CMW1 and identification of a novel efflux pump
<p>Bacteria that exhibit ionic-liquid (IL) tolerance are useful in chemical industries using renewable carbon sources pretreated by ILs to produce biofuels and fine chemicals. Although an IL, 1-butyl-3-methylimidazolium chloride ([BMIM]Cl), has a remarkable ability to solubilize wood components, [BMIM]Cl inhibits the growth of various bacterial hosts useful for bioconversion. We previously isolated a 10% [BMIM]Cl-tolerant bacterium Bacillus amyloliquefaciens CMW1. Here we report novel mechanisms of tolerance to [BMIM]Cl in strain CMW1 and a novel major facilitator superfamily (MFS) transporter coded by an ionic-liquid tolerance (ILT) gene. First, using CMW1 cells grown in the presence or absence of 10% [BMIM]Cl, whole-transcriptome analysis and differentially expressed gene analysis were performed. Probable mechanisms of tolerance to [BMIM]Cl include uptake of osmoprotectants from the culture medium toward CMW1 cells and the export of [BMIM] cations that accumulated in CMW1 cells. The finding represents a first step in elucidation of the mechanisms of IL resistance in Gram-positive bacteria. Second, we conferred tolerance to 5% [BMIM]Cl on [BMIM]Cl-susceptible Brevibacillus choshinensis using ILT gene. This finding provides a notable basis for engineering IL-tolerant bacterial hosts that are applicable for the effective and sustainable production of industrially important chemicals.</p>
Data from: Optimization and kinetic study of methyl laurate synthesis using ionic liquid [Hnmp]HSO4 as a catalyst
Methyl laurate was synthesized from lauric acid (LA) and methanol via an esterification reaction using ionic liquids (ILs) as catalysts. The efficiencies of three different catalysts, 1-methylimidazole hydrogen sulfate ([Hmim]HSO4), 1-methyl-2-pyrrolidonium hydrogen sulfate ([Hnmp]HSO4) and H2SO4, were compared. The effect of the methanol/LA molar ratio, reaction temperature, reaction time and catalyst dosage on the esterification rate of LA was investigated by single-factor experiments. Based on the single-factor experiments, the esterification of LA and methanol was optimized using response surface methodology. The results showed that the most effective catalyst was the IL [Hnmp]HSO4. The optimal conditions were as follows: [Hnmp]HSO4 dosage of 5.23%, methanol/LA molar ratio of 7.68 : 1, reaction time of 2.27 h and reaction temperature of 70°C. Under these conditions, the LA conversion of the esterification reached 98.58%. A kinetic study indicated that the esterification was a second-order reaction with an activation energy and a frequency factor of 68.45 kJ mol−1 and 1.9189 × 109 min−1, respectively. The catalytic activity of [Hnmp]HSO4 remained high after five cycles.
Data from: Catalytic synthesis of n-butyl carboxylate with immobilized ionic liquid based on RSM optimization
Catalytic synthesis of n-butyl formate, n-butyl acetate, n-butyl propionate and n-butyl butyrate using four synthesized functional ionic liquids, 1-(3-sulfonapropyl)-1-methyl pyrrolidone sulfate hydrogen salt ([C3SO3Hnmp]HSO4), 1-(3-sulfopropyl)-1-methylpyrrolidone p-toluene sulfonate ([C3SO3Hnmp]CH3SO3H), 1-(3-sulfopropyl)-1-methyl pyrrolidone methyl sulfonate ([C3SO3Hnmp]C6H6SO3H), and 1-(3-sulfopropyl)-1-methyl pyrrolidone phosphate ([C3SO3Hnmp]H2PO4) was studied. Butyl butyrate was selected as the research object. The ionic liquid 1-(3-sulfopropyl)-1-methylpyrrolidone bisulfate ([C3SO3Hnmp]HSO4), which had the best catalytic effect on butyl butyrate, was immobilized and tested. The effects of reaction temperature, reaction time, molar ratio of acid to alcohol and catalyst dosage were investigated. Response surface methodology (RSM) was used to optimize the process conditions, and the optimal process conditions were obtained. The supported ionic liquid [C3SO3Hnmp]HSO4 maintained high catalytic activity after 5 cycles.
Data from: Variations of thermophysical properties and heat transfer performance of nanoparticle-enhanced ionic liquids
The ionic liquid 1-ethyl-3-methylimidazolium acetate ([EMIm]Ac) was investigated as a promising absorbent for absorption refrigeration. To improve the thermal conductivity of pure [EMIm]Ac, ionic-liquid-based nanofluids (ionanofluids) were prepared by adding graphene nanoplatelets. The thermal stability of the ionic liquid and ionanofluids was analysed. The variations of the thermal conductivity, viscosity and specific heat capacity resulting from the addition of the graphene nanoplatelets were then measured over a wide range of temperatures and mass fractions. The measured data were fitted with appropriate equations and compared with the corresponding classical models. The results revealed that the ionic liquid and ionanofluids were thermally stable over the measurement range. The thermal conductivity greatly increased with increasing mass fraction, while only slightly changed with increasing temperature. A maximum enhancement in thermal conductivity of 43.2% was observed at a temperature of 373.15 K for the ionanofluid with a mass fraction of 5%. The numerical results revealed that the dispersion of the graphene nanoplatelets in the pure ionic liquid effectively improved the local heat transfer coefficient by up to 28.6%.
Molecular Dynamics Study of the Vibrational Energy Exchange Between Nanodiamond and N-butylpyridinium Tetrafluoroborate Ionic Liquid
<p>Nanofluids are composed of certain nanoscale object immersed in the molecular or ionic liquid. Nanofluids generally exhibit higher thermal conductivities, as compared to conventional fluids. Therefore, they are interesting to applications, in which thermal conductivity is a cornerstone. Hereby, molecular dynamics simulations were used to study an energy exchange in one of the possible nanofluids: N-butylpyridinium tetrafluoroborate based solution of nanodiamonds. The data are given in the form of energy components versus time and atomistic trajectories versus time at a number of temperatures. The simulations were conducted in the constant energy ensemble to avoid efects of temperature coupling and pressure coupling. The dataset possesses both research and educational values.</p>
Halogen-Substituted Ionic Liquids
<p>Pre-equilibrated systems for different size for AIMD for Halogen-Substituted Ionic Liquids.</p>
Figure 1 from: Neamah MJ, Al-Akkam EJM (2024) Preparation and characterization of vemurafenib microemulsion based hydrogel using surface active ionic liquid. Pharmacia 71: 1-9. https://doi.org/10.3897/pharmacia.71.e111178
Figure 1 Pseudoternary phase diagram. A–C. Represent the pseudoternary phase diagram at the Smix ratios of 1:2, 1:3 and 1:4, respectively.
Figure 4 from: Neamah MJ, Al-Akkam EJM (2024) Preparation and characterization of vemurafenib microemulsion based hydrogel using surface active ionic liquid. Pharmacia 71: 1-9. https://doi.org/10.3897/pharmacia.71.e111178
Figure 4 Cumulative amount permeated per square centimetre versus time of different microemulsion-based hydrogel formulas.
C-C bond cleavage in the electrooxidation of 2,3 butanediol controlled by an ionic liquid modifier
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Tailoring the Selectivity of 1,3-Butadiene versus 1-Butene Adsorption on Pt(111) by Ultrathin Ionic Liquid Films [DOI: 10.1021/acscatal.3c02126]
<p>Data is included [DOI: 10.1021/acscatal.3c02126]</p>
Adsorption and thermal evolution of the carbonyl-functionalized ionic liquid [5-oxo-C6C1Im][NTf2] on Pt(111): A combined IRAS, STM, and DFT study
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Allen Brain Atlas
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