Journal of Ionic Liquids最新文献

Betaine-based (BET) deep eutectic solvents (DESs) made with isoalcohols of varying hydrocarbon chain lengths, namely triethylene glycol (TEG), 1, 2-ethanediol (ETD), 1, 3-propanediol (PPD) and 1, 4-butanediol (BTD) were modelled. Their effects on the formation of aqueous biphasic system (ABS) with 2 M dipotassium phosphate salt solution (K₂HPO₄) as well as the extraction of common protein molecules, bovine serum albumin (BSA), were studied using molecular dynamics simulation with Gromacs. Qualitative and quantitative data were used to analyse the simulation results, which includes visualised systems in equilibrium, root mean square deviation (RMSD), root mean square fluctuation (RMSF), radius of gyration, radial distribution function (RDF) and hydrogen bond analysis. The results and literature research validated the role of inorganic salt solute concentration on the phase forming ability as well as the possibility of protein denaturation. More investigations and experimental works are to be carried out regarding the type of inorganic salt and its concentration for aqueous biphasic systems (ABSs) with alcohol based DESs and salt solution for protein extraction purposes. This is essential to understand the salting-out effect and to isolate the effects of hydrocarbon chain length from other influencing factors. Additionally, inorganic salt concentrations, presence of ether linkage as well as hydrocarbon chain length is shown to play a role in the dynamics between molecules in the system as well as protein conformational changes. Overall, ABS incorporating PPD and BTD with hydrocarbon chain lengths not exceeding C4 demonstrated superior performance in terms of protein conformational stability and interaction, showcasing their efficacy in protein extraction process.

CO₂ capture from industrial processes and power plants, contribute to curbing global warming and advancing sustainability efforts. This study involves the design and synthesis of novel mesoporous silica supported ionic liquid based adsorbents for carbon dioxide capture. Utilization of MSILs delves into the efficiency and mechanisms of CO₂ adsorption, offering insights for sustainable carbon capture technologies in combating greenhouse gas emissions. 1-ethyl-3-methylimidazolium tetrafluoroborate, 1-ethyl-3-methylimidazolium ethyl sulfate and 1-ethyl-3-methylimidazolium methylsulfate ionic liquids were anchored on the surface of mesoporous silica which then led to highly efficient adsorbent material. Simple, efficient and cost saving methodology was performed to synthesize such highly efficient CO₂ adsorbent materials. In addition, we theoretically predicted the favorable interaction mechanism of chosen molecular entities for CO₂ adsorption using density functional theory (DFT) analysis. Theoretical results depict the strong interaction of molecular entities with CO₂ gas molecules which is clearly evident from the experimental findings.

This work aims to evaluate the anti-corrosion potential of ethyl dimethyl propylammonium bis (trifluoromethyl sulfonyl) imide (EDMPA-TFSI)-ionic liquid on AA3003 alloy in 0.5 M HCl solution in the presence and absence of potassium iodide at ambient and elevated temperatures. The corrosion inhibition of AA3003 alloy by EDMPA-TFSI in the presence of potassium iodide was evaluated using hydrogen evolution measurements at 303 K and 333 K. The results show that in the absence of potassium iodide, EDMPA-TFSI decelerates AA3003 corrosion in an acidic medium with a maximum inhibition efficiency of 93.2 % and 90.5 % obtained at 303 K and 333 K respectively. In the presence of potassium iodide, 94.7 % and 89.8 % inhibition efficiencies were obtained at 303 K and 333 K, respectively. This adsorption behavior is concordant with the Langmuir adsorption isotherm and the corrosion process in the presence of EDMPA-TFSI shows consistency with first-order reaction kinetics. New information on the application of EDMPA-TFSI as a workable corrosion inhibitor is provided herein.

5-Hydroxymethylfurfural (HMF) has emerged as a promising link between biomass and petrochemical products, offering great potential for application and promising market prospects. In this work, we investigated the catalyst for the synthesis of 5-hydroxymethylfurfural (HMF) from glucose using metal chloride or ionic liquid bearing Brönsted and Lewis acid using the continuous flow method. Under optimal conditions, a high HMF yield of 58 % was achieved at 120 °C within 20 min using IL 2/DMSO. For the study on metal chlorides, the reaction yield reached about 43 % HMF within 60 min using AlCl₃ (1 mmol) anhydrous. This research presents a remarkably effective method for synthesizing HMF.

This review examines the corrosion inhibition performance of ionic liquids used as corrosion inhibitors for aluminum, copper, magnesium, steel, and their alloys in various aqueous media. The predominant classes of ionic liquids employed are imidazolium, triazolium, thiazolium, phosphonium, pyridinium, ammonium, pyrrolidinium, and pyridinium-based ionic liquids. The pieces of literature revealed that the studies were carried out in acid, base, and salt media and an array of inhibition efficiencies was obtained. Herein, the possible influence of experimental techniques, ionic liquid concentration, ionic liquid structure, and molecular weight on the inhibition efficiency are tabulated and discussed.

In this study a LLX process for the extraction of cobalt by the IL [P₈₈₈₈][Oleate] is analysed in terms of relevant thermodynamic parameters. The process can be considered a typical example of transition metal extraction by an ionic liquid. Conductivity and chemical (FTIR) analyses indicate that Co²⁺ complexes with the IL. Three different models are evaluated, all different with respect to the actual Co²⁺ species that complexes with the IL, as well as the Co²⁺:IL stoichiometry. Based on simulations we identified CoCl₂ as the Co species that enters and complexes with the IL, in a Co²⁺:IL ratio of 1:2. The complexation reaction between the Co-species and the IL is an endothermic, entropy-driven reaction. The influence of the feed composition on Co²⁺ extraction is investigated, including the effect of the nature of the accompanying anion as well as the presence of a salting out cation agent. The higher Co²⁺ extraction from a NO₃⁻ medium is due to the stronger interaction between Co(NO₃)₂ and the IL, reflected by a higher equilibrium constant of Co(NO₃)₂ compared to CoCl₂. Differences in dehydration enthalpy between the ion species involved may contribute as well. Similar effects play a role when comparing uptake rates in solutions containing both Co²⁺ and Na⁺, with Co²⁺ extraction clearly preferred over that of Na⁺. Observed differences in Co²⁺ uptake in the presence of a salting-out agent (NaCl, KCl and NH₄Cl) can be explained in terms of the hydration energy of the salting out cation, the higher this hydration energy, the higher the Co²⁺ uptake by the IL.

The combustion of fossil fuels is an important source of air pollution due to the presence of sulfur-based compounds. In this regard, a reliable atomistic forcefield is required in order to provide insights on solute-solvent interactions, and in designing high aromatic sulfur extracting solvents. In the present work, the excess chemical potentials of thiophene within four 1-butyl-3-methylimidazolium-based ionic liquids were evaluated through the free energy perturbation with replica exchange molecular dynamics methodology by using the CL&Pol polarizable force fields based on Drude oscillators. First, in order to validate the accuracy of the polarizable force fields, a series of thermodynamic properties of pure ionic liquids such as diffusion coefficient, liquid density, dielectric constant, and heat of vaporization were computed using the CL&Pol force field and compared against experimental values. The results from the calculated thiophene excess chemical potential values, indicated that the [C₄mim][CH₃COO] ionic liquid presents the more favorable excess chemical potential (higher solubility) with respect to the thiophene molecule at both 300 K and 343 K in comparison to the other ionic liquids studied. The structural analysis revealed that the ionic liquid anion interacts more closely and with well-defined RDF peaks with the thiophene molecule, the larger anions present higher surrounding particle densities with the thiophene molecules (solvation shell), while the monoatomic anions interact preferentially with the hydrogens close to the sulfur thiophene atom; In contrast no marked solvation layers were observed with the ionic liquid cations.

A new and exciting direction in advanced materials and biomedical engineering is the use of hydrogels based on ionic liquids that are 3D printed. Hydrogels with improved structural integrity and adjustable characteristics are made from ionic liquids, which are renowned for their distinct physicochemical qualities. Utilizing 3D printing technology, which gives precise control over the morphology and spatial arrangement of the finished structures, further expands the potential of these hydrogels. This review discusses the various uses of hydrogels based on ionic liquids that are created on 3D printers, from scaffolds for tissue engineering to drug delivery systems. Ionic liquids and 3D printing together provide a flexible platform for adjusting the hydrogels' mechanical strength, biocompatibility, and responsiveness. The addition of functional components like nanoparticles and bioactive compounds increases the therapeutic potential of these materials. This review covers the latest advancements, obstacles, and potential applications for 3D-printed hydrogels based on ionic liquids. A thorough grasp of how this novel methodology advances materials science and bioengineering and opens the door for next-generation biomedical applications may be gained by delving into the design concepts and fabrication methods.

Hemp fibers are promising biomaterials that have many advantages, such as biodegradability, low production costs, and rapid growth. They can be used as alternatives to other cellulosic fibers that have higher environmental impacts. However, to use hemp fibers effectively, they need to be separated from the lignin in the hemp biomass. This process is called delignification, and it is usually done by using harsh chemicals that are harmful to the environment and human health. In this work, we used a new and green solvent, called deep eutectic solvent-like mixtures, to delignify hemp biomass. Deep eutectic solvent-like mixtures are made from choline chloride and lactic acid, which are cheap, safe, and biodegradable. We tested different combinations of temperature (80–160 °C), time (60–240 min.), and solvent amount (1:10–1:60) to find the best conditions for delignification. We measured the Kappa number, which indicates how much lignin is left in the fibers, and the efficiency of delignification, which indicates how much lignin is removed. The Kappa number of delignified hemp fibers ranged from 10.7 (144 °C, 204 min, 1:30) to 21.8 (160 °C, 150 min, 1:17). The results showed that the optimal conditions to obtain the smallest Kappa number representing 6.6 are the boundary conditions of 160 °C, 240 min, and a ratio of 1:60. This method is more sustainable and environmentally friendly than the conventional methods, and it can help achieve the goal of sustainable development for mankind.

Owing to the extensive research on imidazolium based ionic liquids; the present study aims to design a potentiometric sensor for alkyl methylimidazolium ion. For this, poly(vinyl chloride) PVC membrane based on the neutral ion-pair complexes of cetylpyridinium chloride and sodium dodecyl sulfate (CPy⁺DS⁻) has been developed. The synthesized ion selective electrode (ISEs) have been found to show linear response with near-Nernstian slope for C_nMeImCl (C₁₀MeImCl, C₁₂MeImCl and C₁₄MeImCl). The proposed ISEs show quick response (5–6 s) and provide wide pH range for working. The influence of various ions on the performance of ion-selective electrode is investigated in terms of potentiometric selectivity coefficients, which were determined by separate solution method. The performance of synthesized ISE in examining the critical micellar concentration (cmc) of C_nMeImCl in aqueous, aqua-organic media and in the presence of amino acids (glycine, L-glutamic acid and L-phenylalanine) has been found to be satisfactory and confirmed through conductivity and fluorescence measurements. This emphasizes its worth for in-situ analysis of alkyl methylimidazolium ions, during an organic reaction, and hence possible reaction mechanism evaluation. Different thermodynamic parameters such as Standard Gibbs energies of micellization ($\Delta G_m^{\circ }$), degree of counterion dissociation (α), amphiphile tail transfer Gibbs free energy ($\Delta G_{m,\text{trans}}^{\circ }$) have been evaluated. Further, the analytical application of synthesized electrode as end point indicator in the potentiometric titration of C₁₄MeImCl with SDS has also been explored, which compared well with improved two-phase titration method. The current study is novel as it involves the use of a cheaper material (CPyCl) as ionophore and that the same electrode can be used for different chain alkyl methylimidazolium ions simply by changing the internal reference solutions.