Pub Date : 2025-12-01Epub Date: 2025-08-12DOI: 10.1016/j.jil.2025.100172
Mumtahina Mim , Khairul Habib , Sazratul Nayeem Farabi , Md Abu Zaed , R. Saidur
Ionic liquids are gaining attention for their potential in thermal energy storage due to their unique properties e.g. thermal and chemical stability, tunability, low volatility, and environmental friendliness. Ionic liquid-based nanocomposites have been a popular choice for batteries and supercapacitors and have been utilized as heat transfer fluids; however, no studies have been done with these nanomaterials in light-to-thermal energy applications. This research developed a novel binary imidazolium ionic liquid-based WO3/MgO nanocomposite and further studied its suitability in light-to-thermal energy conversion systems. The nanocomposite was integrated into 0.2 wt%, 0.4 wt%, and 0.6 wt% concentrations with RT-54 to evaluate the thermophysical properties of the PCMs. A massive rise in optical absorptivity (233.33%) and enhanced thermal conductivity (20.81%) has been achieved. At the same time, the system exhibits thermal stability and excellent thermal reliability, where 0.6 wt% had the most thermal reliability and 0.4 wt% had the highest storage enhancements. With the proven well-rounded properties in our study, this genre of new materials will open new doors for future research in energy storage devices.
{"title":"Evaluation of novel binary imidazolium ionic liquid-based WO3/MgO nanocomposite for light-to-thermal energy conversion and storage- a preliminary study","authors":"Mumtahina Mim , Khairul Habib , Sazratul Nayeem Farabi , Md Abu Zaed , R. Saidur","doi":"10.1016/j.jil.2025.100172","DOIUrl":"10.1016/j.jil.2025.100172","url":null,"abstract":"<div><div>Ionic liquids are gaining attention for their potential in thermal energy storage due to their unique properties e.g. thermal and chemical stability, tunability, low volatility, and environmental friendliness. Ionic liquid-based nanocomposites have been a popular choice for batteries and supercapacitors and have been utilized as heat transfer fluids; however, no studies have been done with these nanomaterials in light-to-thermal energy applications. This research developed a novel binary imidazolium ionic liquid-based WO<sub>3</sub>/MgO nanocomposite and further studied its suitability in light-to-thermal energy conversion systems. The nanocomposite was integrated into 0.2 wt%, 0.4 wt%, and 0.6 wt% concentrations with RT-54 to evaluate the thermophysical properties of the PCMs. A massive rise in optical absorptivity (233.33%) and enhanced thermal conductivity (20.81%) has been achieved. At the same time, the system exhibits thermal stability and excellent thermal reliability, where 0.6 wt% had the most thermal reliability and 0.4 wt% had the highest storage enhancements. With the proven well-rounded properties in our study, this genre of new materials will open new doors for future research in energy storage devices.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100172"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144860806","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-07-30DOI: 10.1016/j.jil.2025.100169
Kaoru Nobuoka , Kensuke Sumi , Satoshi Kitaoka
Taking advantage of the excellent dissolution ability of ionic liquids, which can also dissolve DNA and hydrophobic compounds, we investigated the homogeneous asymmetric Diels-Alder reaction using DNA, a natural chiral source, and porphyrin copper(II) complexes as asymmetric catalysts in ionic liquid solutions. In [N4444][Gly], the reaction substrates were phase-separated, and the reaction mixture gelled or solidified at low temperatures, resulting in ineffective asymmetric catalysis. However, the reaction proceeded in a homogeneous system in 75 % [N1223][N(CN)2], which is not possible in water alone, and high yield, diastereoselectivity, and enantioselectivity were obtained at -20 °C. The utilization of ionic liquids as solvents would not only enable homogeneous reactions, but also reactions at low temperatures, and would be a powerful tool for high stereoselectivity in DNA-organometallic-catalyzed asymmetric reactions.
{"title":"Homogeneous asymmetric Diels-Alder reaction using copper(II) porphyrin-DNA complexes as asymmetric catalysts in ionic liquid solutions","authors":"Kaoru Nobuoka , Kensuke Sumi , Satoshi Kitaoka","doi":"10.1016/j.jil.2025.100169","DOIUrl":"10.1016/j.jil.2025.100169","url":null,"abstract":"<div><div>Taking advantage of the excellent dissolution ability of ionic liquids, which can also dissolve DNA and hydrophobic compounds, we investigated the homogeneous asymmetric Diels-Alder reaction using DNA, a natural chiral source, and porphyrin copper(II) complexes as asymmetric catalysts in ionic liquid solutions. In [N<sub>4444</sub>][Gly], the reaction substrates were phase-separated, and the reaction mixture gelled or solidified at low temperatures, resulting in ineffective asymmetric catalysis. However, the reaction proceeded in a homogeneous system in 75 % [N<sub>1223</sub>][N(CN)<sub>2</sub>], which is not possible in water alone, and high yield, diastereoselectivity, and enantioselectivity were obtained at -20 °C. The utilization of ionic liquids as solvents would not only enable homogeneous reactions, but also reactions at low temperatures, and would be a powerful tool for high stereoselectivity in DNA-organometallic-catalyzed asymmetric reactions.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100169"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144772438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The outstanding characteristics of ionic liquids (ILs), combined with the mechanical stability of polymeric systems, give rise to a novel class of materials known as polymeric ionic liquids (PILs) with transformative potential applications. The study aimed to investigate the influence of asymmetric acidic anions on the ionic conductivity of monomeric ionic liquid MILs and PILs. Therefore, an anion exchange reaction was carried out on 1-hydroxyethyl-3-vinylimidazolium chloride [EtOHVIM]Cl, resulting in the formation of 1-hydroxyethyl-3-vinylimidazolium hydrogen sulfate [EtOHVIM][HSO4]. Since a previous investigations highlighted the intriguing characteristics of dihydrogen phosphate anion, an additional anion exchange reaction was performed on Poly(1-hydroxyethyl-3-vinylimidazolium) chloride [P-EtOHVIM]Cl, which gave rise to the formation of Poly(1-hydroxyethyl-3-vinylimidazolium) dihydrogen phosphate [P-EtOHVIM][H2PO4], resulting in the formation of Poly (1-hydroxyethyl-3-vinylimidazolium) dihydrogen phosphate [P-EtOHVIM][H2PO4]. The molecular structures were confirmed using 1H NMR, 13C NMR, and Infrared (ATR/FTIR) spectroscopy. The obtained ionic liquids were analysed using Differential Scanning Calorimetry (DSC), Thermogravimetric Analysis (TGA), and Derivative Thermogravimetry (DTG). The findings revealed that these compounds have intriguing thermal properties, including a low glass transition temperature and good thermal stability. Furthermore, Broadband Dielectric Spectroscopy (BDS) analysis and thermal characterisations were combined to unravel the interplay between charge transport and glassy dynamics.
{"title":"High ionic conductivity for ionic and poly ionic liquids based on 1-(hydroxyethyl)-3-vinylimidazolium cation: Asymmetric acidic anion contribution of hydrogen sulfate and dihydrogen phosphate","authors":"Hadjer Guettaf , Yassine Chaker , El Habib Belarbi , Mansour Debdab , Taqiyeddine Moumene , Abdelkader Benabdellah , Serge Bresson","doi":"10.1016/j.jil.2025.100175","DOIUrl":"10.1016/j.jil.2025.100175","url":null,"abstract":"<div><div>The outstanding characteristics of ionic liquids (ILs), combined with the mechanical stability of polymeric systems, give rise to a novel class of materials known as polymeric ionic liquids (PILs) with transformative potential applications. The study aimed to investigate the influence of asymmetric acidic anions on the ionic conductivity of monomeric ionic liquid MILs and PILs. Therefore, an anion exchange reaction was carried out on 1-hydroxyethyl-3-vinylimidazolium chloride [EtOHVIM]Cl, resulting in the formation of 1-hydroxyethyl-3-vinylimidazolium hydrogen sulfate [EtOHVIM][HSO<sub>4</sub>]. Since a previous investigations highlighted the intriguing characteristics of dihydrogen phosphate anion, an additional anion exchange reaction was performed on Poly(1-hydroxyethyl-3-vinylimidazolium) chloride [P-EtOHVIM]Cl, which gave rise to the formation of Poly(1-hydroxyethyl-3-vinylimidazolium) dihydrogen phosphate [P-EtOHVIM][H<sub>2</sub>PO<sub>4</sub>], resulting in the formation of Poly (1-hydroxyethyl-3-vinylimidazolium) dihydrogen phosphate [P-EtOHVIM][H<sub>2</sub>PO<sub>4</sub>]. The molecular structures were confirmed using <sup>1</sup>H NMR, <sup>13</sup>C NMR, and Infrared (ATR/FTIR) spectroscopy. The obtained ionic liquids were analysed using Differential Scanning Calorimetry (DSC), Thermogravimetric Analysis (TGA), and Derivative Thermogravimetry (DTG). The findings revealed that these compounds have intriguing thermal properties, including a low glass transition temperature and good thermal stability. Furthermore, Broadband Dielectric Spectroscopy (BDS) analysis and thermal characterisations were combined to unravel the interplay between charge transport and glassy dynamics.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100175"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145048566","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-06-05DOI: 10.1016/j.jil.2025.100159
Rodrigo M.A. Silva , Ana I.M.C. Lobo Ferreira , Luís M.N.B.F. Santos
The volatility, heat capacity, and thermal behavior were used to explore the effect of alkyl size and anion nature in the thermodynamic properties of ionic liquids (ILs) by measuring the 1-alkyl-3-methylimidazolium trifluoromethanesulfonate series ([CnC1im][OTf], with n = 2, 4, 6, 8, 10, 12). The volatility of the ILs, assessed through the Knudsen effusion method coupled with quartz crystal microbalance (KEQCM), indicates that molar enthalpy and entropy of vaporization present a quasi-linear dependence with the alkyl chain length, while the molar Gibbs energy of vaporization is nearly constant until n = 6 and increases with alkyl chain length for n > 6. The [CnC1im][OTf] series was found to be less volatile than the [CnC1im][NTf2] series. Their phase behavior was studied by means of DSC and a non-monotonous trend was found for the melting point, as well as for the standard molar enthalpy and entropy of fusion, along the number of carbon atoms on the alkyl side chain of the cation. The typical trendshift associated with the intensification of the nanostructuration of the ILs was clearly observed in the volumetric heat capacity, where it reaches a minimum at n ≈ 6 and becomes nearly constant for ILs with a longer alkyl chain. The high resolution and accurate measurement of thermodynamic properties can be used as a robust strategy for the analysis and interpretation of nanostructuration in the liquid phase, which is essential for the tuning of properties/functionalities, as well as for the deep molecular understanding of the ionic fluid behavior.
通过对1-烷基-3-甲基咪唑三氟甲磺酸盐系列（[CnC1im][OTf], n = 2、4、6、8、10、12）的测定，利用挥发性、热容量和热行为来探讨烷基大小和阴离子性质对离子液体（ILs）热力学性质的影响。结合石英晶体微天平（KEQCM）的Knudsen液流法测定了液相色谱的挥发性，结果表明，液相色谱的摩尔焓和汽化熵与烷基链长度呈准线性关系，而液相色谱的摩尔吉布斯汽化能在n = 6之前基本保持不变，在n >时随烷基链长度的增加而增加；6. [CnC1im][OTf]系列的挥发性低于[CnC1im][NTf2]系列。用DSC研究了它们的相行为，发现熔点、标准摩尔焓和熔合熵随阳离子烷基侧链上碳原子数的变化呈非单调趋势。典型的趋势转移与纳米结构的增强有关，在体积热容中可以清楚地观察到，在n≈6时达到最小值，并且对于具有较长烷基链的il来说，它几乎是恒定的。热力学性质的高分辨率和精确测量可以作为分析和解释液相纳米结构的稳健策略，这对于调整性质/功能以及对离子流体行为的深入分子理解至关重要。
{"title":"On the thermodynamic properties and nanostructuration of the 1-alkyl-3-methylimidazolium trifluoromethanesulfonate series","authors":"Rodrigo M.A. Silva , Ana I.M.C. Lobo Ferreira , Luís M.N.B.F. Santos","doi":"10.1016/j.jil.2025.100159","DOIUrl":"10.1016/j.jil.2025.100159","url":null,"abstract":"<div><div>The volatility, heat capacity, and thermal behavior were used to explore the effect of alkyl size and anion nature in the thermodynamic properties of ionic liquids (ILs) by measuring the 1-alkyl-3-methylimidazolium trifluoromethanesulfonate series ([C<em><sub>n</sub></em>C<sub>1</sub>im][OTf], with <em>n</em> = 2, 4, 6, 8, 10, 12). The volatility of the ILs, assessed through the Knudsen effusion method coupled with quartz crystal microbalance (KEQCM), indicates that molar enthalpy and entropy of vaporization present a <em>quasi</em>-linear dependence with the alkyl chain length, while the molar Gibbs energy of vaporization is nearly constant until <em>n</em> = 6 and increases with alkyl chain length for <em>n</em> > 6. The [C<em><sub>n</sub></em>C<sub>1</sub>im][OTf] series was found to be less volatile than the [C<em><sub>n</sub></em>C<sub>1</sub>im][NTf<sub>2</sub>] series. Their phase behavior was studied by means of DSC and a non-monotonous trend was found for the melting point, as well as for the standard molar enthalpy and entropy of fusion, along the number of carbon atoms on the alkyl side chain of the cation. The typical trendshift associated with the intensification of the nanostructuration of the ILs was clearly observed in the volumetric heat capacity, where it reaches a minimum at <em>n</em> ≈ 6 and becomes nearly constant for ILs with a longer alkyl chain. The high resolution and accurate measurement of thermodynamic properties can be used as a robust strategy for the analysis and interpretation of nanostructuration in the liquid phase, which is essential for the tuning of properties/functionalities, as well as for the deep molecular understanding of the ionic fluid behavior.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100159"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144299014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-08-18DOI: 10.1016/j.jil.2025.100173
Khan Rajib Hossain , Xinle Yao , M. Abdul Jalil , Xiaolong Wang
Biomimetic surfaces, inspired by nature, are gaining popularity due to their promising technological applications. Traditional microfabrication techniques face difficulties due to the intricacy of hexagonal microstructures. We successfully developed a bioinspired surface pattern resembling cat paws using innovative 3D laser lithography. Our composite material, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, inspired by the natural architecture of cat paws with their passive capability for biomechanical damping, enables increased dissipation and tribological performance. The iongel surface shows shape memory, resistance to creep properties, stiffness controllability, and self-lubricating behavior under dynamic loading conditions. Mechanical testing demonstrates reduced hysteresis behavior and an increase in energy absorption on PU surfaces with an average friction reduction of ∼9.8 % ± 1.2 %, using the same test conditions (n=3). We clarify the multiscale deformation mechanisms using an in-depth investigation, including finite element simulations. These methods greatly improve the material's tribological performance and show that hydrogel-like networks of fibers and membranes hold the matrix together. These composite materials have great potential for use in sports safety equipment and various engineering domains because of their flexible and soft hexagonal network structure, representing cat paws.
{"title":"Hexagonal network cat paw-inspired iongel composites improve tribological properties","authors":"Khan Rajib Hossain , Xinle Yao , M. Abdul Jalil , Xiaolong Wang","doi":"10.1016/j.jil.2025.100173","DOIUrl":"10.1016/j.jil.2025.100173","url":null,"abstract":"<div><div>Biomimetic surfaces, inspired by nature, are gaining popularity due to their promising technological applications. Traditional microfabrication techniques face difficulties due to the intricacy of hexagonal microstructures. We successfully developed a bioinspired surface pattern resembling cat paws using innovative 3D laser lithography. Our composite material, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, inspired by the natural architecture of cat paws with their passive capability for biomechanical damping, enables increased dissipation and tribological performance. The iongel surface shows shape memory, resistance to creep properties, stiffness controllability, and self-lubricating behavior under dynamic loading conditions. Mechanical testing demonstrates reduced hysteresis behavior and an increase in energy absorption on PU surfaces with an average friction reduction of ∼9.8 % ± 1.2 %, using the same test conditions (n=3). We clarify the multiscale deformation mechanisms using an in-depth investigation, including finite element simulations. These methods greatly improve the material's tribological performance and show that hydrogel-like networks of fibers and membranes hold the matrix together. These composite materials have great potential for use in sports safety equipment and various engineering domains because of their flexible and soft hexagonal network structure, representing cat paws.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100173"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144879310","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-06-06DOI: 10.1016/j.jil.2025.100161
Santhosh G , Supriya N , Vijayalakshmi K. P , Deepthi Thomas
Energetic ionic liquids (EILs) are continuously being explored in the field of energetic materials and are attractive candidates for use in explosives and propellants. A promising energetic ionic liquid viz., 4-amino-1-methyl-1,2,4-triazolium nitrate (AMTN) was synthesized and characterized by FT-IR, elemental, TG, LC-MS and ESI-MS analyses. The thermal decomposition of AMTN was studied by non-isothermal thermogravimetric analysis (TGA) under variable heating rates from 5 to 20 °C/min. The TG data of AMTN showed a single stage decomposition in the temperature range of 180–260 °C. Pyrolysis GC–MS studies were undertaken at 300 °C and the major decomposition fragments were identified as nitrous oxide (N2O), aziridine 1-amine, 1,2,3-triazine and 1-methyl-1,2,4-triazole and a mechanism was evolved. The activation energy (Ea) for the thermal decomposition of AMTN was evaluated using Kissinger method and is found to be 126.6 ± 14.1 kJ/mol. Kinetic analyses using isoconversional method of Vyazovkin, showed a strong dependence of Ea on fractional conversion (α).
{"title":"Synthesis, characterization, pyrolysis and thermokinetic studies of an energetic ionic liquid: 4-amino-1-methyl-1,2,4-triazolium nitrate","authors":"Santhosh G , Supriya N , Vijayalakshmi K. P , Deepthi Thomas","doi":"10.1016/j.jil.2025.100161","DOIUrl":"10.1016/j.jil.2025.100161","url":null,"abstract":"<div><div>Energetic ionic liquids (EILs) are continuously being explored in the field of energetic materials and are attractive candidates for use in explosives and propellants. A promising energetic ionic liquid viz., 4-amino-1-methyl-1,2,4-triazolium nitrate (AMTN) was synthesized and characterized by FT-IR, elemental, TG, LC-MS and ESI-MS analyses. The thermal decomposition of AMTN was studied by non-isothermal thermogravimetric analysis (TGA) under variable heating rates from 5 to 20 °C/min. The TG data of AMTN showed a single stage decomposition in the temperature range of 180–260 °C. Pyrolysis GC–MS studies were undertaken at 300 °C and the major decomposition fragments were identified as nitrous oxide (N<sub>2</sub>O), aziridine 1-amine, 1,2,3-triazine and 1-methyl-1,2,4-triazole and a mechanism was evolved. The activation energy (E<sub>a</sub>) for the thermal decomposition of AMTN was evaluated using Kissinger method and is found to be 126.6 ± 14.1 kJ/mol. Kinetic analyses using isoconversional method of Vyazovkin, showed a strong dependence of E<sub>a</sub> on fractional conversion (α).</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100161"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144288818","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-07-12DOI: 10.1016/j.jil.2025.100164
Xavier Paredes , M.Soledade C.S. Santos , Luís C.S. Nobre , Miguel V.R. Silva , Ana R.P. Gonçalves , Carla S.G.P. Queirós , Carlos Nieto de Castro , Fernando J.V. Santos
Absorption-refrigeration cycles have been used for more than a century, and the most frequent refrigerant-absorbent working pairs are H2O-LiBr and NH3-H2O. The high coefficient of performance (COP) and affordability of these fluids still justifies their use, despite major drawbacks like the corrosion and crystallization risks, as well as limitations in terms of operating temperature and pressure for H2O-LiBr solutions, NH3 flammability and toxicity and use under high pressure, corrosiveness and alkalinity of its aqueous solutions, and the need of distillation solutions for NH3-H2O separation. Societal demands to reduce the environmental and health impact of chemicals used in industry, has led to the search for new systems for industrial applications. Recently, ILs emerged as absorbent candidates for absorption systems, due to their thermal stability, very low vapour pressure, and solvent capacity, which adds the possible use of their aqueous mixtures with low viscosity and toxicity, and significant COP values, making them excellent alternatives for new working absorbing pairs. From several ionic liquids proposed, 1-ethyl-3-methylimidazolium ethylsulfate, [C2mim] [EtSO4], is a good candidate, namely mixed with water. This low-toxicity ionic liquid was chosen to screen the reliability of available data on aqueous mixtures for the estimate of coefficient of performance (COP), targeting a potential application in absorption refrigeration cycles (ARC). The aqueous-rich mixtures (xIL < 0.1) present solution viscosities compatible with pumping devices used nowadays in refrigeration systems, and ensure enhanced wetting, affording improved heat transfer by conduction.
Several mixtures of pure ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate ([C2mim] [EtSO4]) with water were studied over the whole composition range, between 283.15 K and 343.15 K, at 0.1 MPa. Density, speed of sound, refractive index, viscosity, surface tension, and electrical conductivity were measured experimentally and compared with literature data. The experimental results are consistent with the evolvement of solution molecular structure with increasing water content previously predicted by MD simulations, evidencing a remarkable agreement of the notable transition points, and supporting previous studies in this laboratory with other ionic liquid aqueous systems, namely [C2mim] [CH3SO3] and [C2mim] [N(CN)2].
{"title":"Thermophysical properties of 1-ethyl-3-methylimidazolium ethylsulfate + water binary mixtures between 283 and 343K: A feasible fluid for absorption refrigeration","authors":"Xavier Paredes , M.Soledade C.S. Santos , Luís C.S. Nobre , Miguel V.R. Silva , Ana R.P. Gonçalves , Carla S.G.P. Queirós , Carlos Nieto de Castro , Fernando J.V. Santos","doi":"10.1016/j.jil.2025.100164","DOIUrl":"10.1016/j.jil.2025.100164","url":null,"abstract":"<div><div>Absorption-refrigeration cycles have been used for more than a century, and the most frequent refrigerant-absorbent working pairs are H<sub>2</sub>O-LiBr and NH<sub>3</sub>-H<sub>2</sub>O. The high coefficient of performance (COP) and affordability of these fluids still justifies their use, despite major drawbacks like the corrosion and crystallization risks, as well as limitations in terms of operating temperature and pressure for H<sub>2</sub>O-LiBr solutions, NH<sub>3</sub> flammability and toxicity and use under high pressure, corrosiveness and alkalinity of its aqueous solutions, and the need of distillation solutions for NH<sub>3</sub>-H<sub>2</sub>O separation. Societal demands to reduce the environmental and health impact of chemicals used in industry, has led to the search for new systems for industrial applications. Recently, ILs emerged as absorbent candidates for absorption systems, due to their thermal stability, very low vapour pressure, and solvent capacity, which adds the possible use of their aqueous mixtures with low viscosity and toxicity, and significant COP values, making them excellent alternatives for new working absorbing pairs. From several ionic liquids proposed, 1-ethyl-3-methylimidazolium ethylsulfate, [C<sub>2</sub>mim] [EtSO<sub>4</sub>], is a good candidate, namely mixed with water. This low-toxicity ionic liquid was chosen to screen the reliability of available data on aqueous mixtures for the estimate of coefficient of performance (COP), targeting a potential application in absorption refrigeration cycles (ARC). The aqueous-rich mixtures (<em>x</em><sub>IL</sub> < 0.1) present solution viscosities compatible with pumping devices used nowadays in refrigeration systems, and ensure enhanced wetting, affording improved heat transfer by conduction.</div><div>Several mixtures of pure ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate ([C<sub>2</sub>mim] [EtSO<sub>4</sub>]) with water were studied over the whole composition range, between 283.15 K and 343.15 K, at 0.1 MPa. Density, speed of sound, refractive index, viscosity, surface tension, and electrical conductivity were measured experimentally and compared with literature data. The experimental results are consistent with the evolvement of solution molecular structure with increasing water content previously predicted by MD simulations, evidencing a remarkable agreement of the notable transition points, and supporting previous studies in this laboratory with other ionic liquid aqueous systems, namely [C<sub>2</sub>mim] [CH<sub>3</sub>SO<sub>3</sub>] and [C<sub>2</sub>mim] [N(CN)<sub>2</sub>].</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100164"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144670917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-07-17DOI: 10.1016/j.jil.2025.100168
Najihah Mohd Noor , Amal A.M. Elgharbawy , Huma Warsi Khan , Yumi Zuhanis Has-Yun Hashim , Muhammad Moniruzzaman , Mohd Firdaus Abd. Wahab , Hamzah Mohd Salleh , Siti Nur Idayu Matusin
Docetaxel (DTX), a chemotherapeutic agent widely used in cancer treatment, has limited therapeutic efficacy owing to its poor oral absorption and low bioavailability. This study aims to improve DTX solubility by predicting its compatibility with ionic liquids (ILs) using conductor-like screening model for real solvents (COSMO-RS) computational modelling. A library of 340 ILs comprising 17 cations and 20 anions was screened for their potential to dissolve DTX, with a particular focus on imidazolium-based ILs that enhance its solubility and pertinence to cytotoxic applications. Computational analysis identifies ILs containing cations such as 1-methylimidazolium [MIM] and 1,3-dimethylimidazolium [DMIM] and anions such as [CH3COO–], [Br–], and [Cl–], which have high solubility potential for DTX. Parameters such as the activity coefficient, solubility, capacity, selectivity, and performance index were evaluated. The -profile of DTX shows a predominantly nonpolar surface with limited hydrogen bond acceptor regions, indicating that its solubility in ILs is primarily driven by nonpolar (dispersion) interactions, with minor contributions from hydrogen bonding. Although these findings identify several promising IL candidates for improving the solubility of DTX, experimental validation is essential to confirm these computational predictions and assess the suitability of selected ILs in pharmaceutical formulations. This study demonstrates the value of COSMO-RS as a predictive tool for pharmaceutical formulation design and provides a pathway to enhance drug delivery for chemotherapeutics with poor solubility.
{"title":"Targeting poor solubility of docetaxel: Computational screening of ionic liquids using COSMO-RS","authors":"Najihah Mohd Noor , Amal A.M. Elgharbawy , Huma Warsi Khan , Yumi Zuhanis Has-Yun Hashim , Muhammad Moniruzzaman , Mohd Firdaus Abd. Wahab , Hamzah Mohd Salleh , Siti Nur Idayu Matusin","doi":"10.1016/j.jil.2025.100168","DOIUrl":"10.1016/j.jil.2025.100168","url":null,"abstract":"<div><div>Docetaxel (DTX), a chemotherapeutic agent widely used in cancer treatment, has limited therapeutic efficacy owing to its poor oral absorption and low bioavailability. This study aims to improve DTX solubility by predicting its compatibility with ionic liquids (ILs) using conductor-like screening model for real solvents (COSMO-RS) computational modelling. A library of 340 ILs comprising 17 cations and 20 anions was screened for their potential to dissolve DTX, with a particular focus on imidazolium-based ILs that enhance its solubility and pertinence to cytotoxic applications. Computational analysis identifies ILs containing cations such as 1-methylimidazolium [MIM] and 1,3-dimethylimidazolium [DMIM] and anions such as [CH<sub>3</sub>COO<sup>–</sup>], [Br<sup>–</sup>], and [Cl<sup>–</sup>], which have high solubility potential for DTX. Parameters such as the activity coefficient, solubility, capacity, selectivity, and performance index were evaluated. The <span><math><mi>σ</mi></math></span>-profile of DTX shows a predominantly nonpolar surface with limited hydrogen bond acceptor regions, indicating that its solubility in ILs is primarily driven by nonpolar (dispersion) interactions, with minor contributions from hydrogen bonding. Although these findings identify several promising IL candidates for improving the solubility of DTX, experimental validation is essential to confirm these computational predictions and assess the suitability of selected ILs in pharmaceutical formulations. This study demonstrates the value of COSMO-RS as a predictive tool for pharmaceutical formulation design and provides a pathway to enhance drug delivery for chemotherapeutics with poor solubility.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100168"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144711396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
With the growing environmental concerns, numerous studies on the synthesis and application of ionic liquids (ILs) have been carried out. Researchers have investigated a trend in the development of ILs from natural renewable resources such as amino acids, also called amino acids-based ILs (AAILs). Unlike hazardous chemical solvents, AAILs are considered to obey the principles of green chemistry. This review compares the applications of AAILs with conventional ILs and covers the critical aspects. The first objective is to present an in-depth analysis of distinct synthetic methodologies tailored for the development of AAILs. The advantages and disadvantages of the various synthetic approaches are detailed. The second objective of this minireview also focuses on the ecotoxicity data and biodegradation data. The third objective of this minireview is to list AAILs for the extraction of metal ions, and AAILs as catalysts or solvents in organic transformation reactions in the recent five years. The last objective includes AAILs as anti-corrosion inhibitors, which is a useful aspect when the applications of AAILs are upscaled. All these objectives are compared with the conventional ILs where possible.
{"title":"From building blocks to innovations: a critical review of amino acid-based ionic liquids versus conventional ionic liquids","authors":"Monisha V, Revathi Raghunath , Anisha Guha , Sunaina Sunil, Harshana Gurumoorthy, Sunita Rajamani","doi":"10.1016/j.jil.2025.100170","DOIUrl":"10.1016/j.jil.2025.100170","url":null,"abstract":"<div><div>With the growing environmental concerns, numerous studies on the synthesis and application of ionic liquids (ILs) have been carried out. Researchers have investigated a trend in the development of ILs from natural renewable resources such as amino acids, also called amino acids-based ILs (AAILs). Unlike hazardous chemical solvents, AAILs are considered to obey the principles of green chemistry. This review compares the applications of AAILs with conventional ILs and covers the critical aspects. The first objective is to present an in-depth analysis of distinct synthetic methodologies tailored for the development of AAILs. The advantages and disadvantages of the various synthetic approaches are detailed. The second objective of this minireview also focuses on the ecotoxicity data and biodegradation data. The third objective of this minireview is to list AAILs for the extraction of metal ions, and AAILs as catalysts or solvents in organic transformation reactions in the recent five years. The last objective includes AAILs as anti-corrosion inhibitors, which is a useful aspect when the applications of AAILs are upscaled. All these objectives are compared with the conventional ILs where possible.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100170"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144867236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01Epub Date: 2025-06-06DOI: 10.1016/j.jil.2025.100160
Arnaldo Alvarez , Jorge Enrique Lopez Galan
The removal of sulfur-containing compounds, such as dibenzothiophene DBT, from petroleum-derived fuels remains a critical challenge due to the limitations of conventional hydrodesulfurization methods. Ionic liquids have emerged as promising solvents for sustainable extraction, yet the molecular mechanisms governing their selectivity remain underexplored. This study investigates four imidazolium-based ILs ([C₄mim][C₈H₁₇SO₄], [C₄mim][OTf], [C₄mim][Cl], and [C₄mim][PF₆]) to unravel the role of anion chemistry in DBT extraction. Through DFT analyses, It was identify hydrogen bonding, π-π interactions, Van der Waals interactions and anion polarization as key enthalpic drivers. However, experimental extraction efficiencies ([C₄mim][C₈H₁₇SO₄] > [C₄mim][OTf] > [C₄mim][Cl] > [C₄mim][PF₆]) deviate from DFT-predicted interaction energies, which is attributed to the influence of entropic effects and dynamic phase-separation processes. Notably, [C₄mim][C₈H₁₇SO₄]’s superior performance stems from its balanced hydrophobicity, numerous Van der Waals interactions and synergistic hydrogen bonding. These findings underscore the necessity of integrating molecular-scale simulations with macroscopic phase-behavior analyses to advance IL design for fuel purification.
{"title":"Anion-dependent extraction mechanisms of dibenzothiophene in ionic liquids: DFT insights into molecular interactions for enhanced desulfurization","authors":"Arnaldo Alvarez , Jorge Enrique Lopez Galan","doi":"10.1016/j.jil.2025.100160","DOIUrl":"10.1016/j.jil.2025.100160","url":null,"abstract":"<div><div>The removal of sulfur-containing compounds, such as dibenzothiophene DBT, from petroleum-derived fuels remains a critical challenge due to the limitations of conventional hydrodesulfurization methods. Ionic liquids have emerged as promising solvents for sustainable extraction, yet the molecular mechanisms governing their selectivity remain underexplored. This study investigates four imidazolium-based ILs ([C₄mim][C₈H₁₇SO₄], [C₄mim][OTf], [C₄mim][Cl], and [C₄mim][PF₆]) to unravel the role of anion chemistry in DBT extraction. Through DFT analyses, It was identify hydrogen bonding, π-π interactions, Van der Waals interactions and anion polarization as key enthalpic drivers. However, experimental extraction efficiencies ([C₄mim][C₈H₁₇SO₄] > [C₄mim][OTf] > [C₄mim][Cl] > [C₄mim][PF₆]) deviate from DFT-predicted interaction energies, which is attributed to the influence of entropic effects and dynamic phase-separation processes. Notably, [C₄mim][C₈H₁₇SO₄]’s superior performance stems from its balanced hydrophobicity, numerous Van der Waals interactions and synergistic hydrogen bonding. These findings underscore the necessity of integrating molecular-scale simulations with macroscopic phase-behavior analyses to advance IL design for fuel purification.</div></div>","PeriodicalId":100794,"journal":{"name":"Journal of Ionic Liquids","volume":"5 2","pages":"Article 100160"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144271555","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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