CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2016
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IF 1.207
Zhen Song,Dian Yu,Qian Zeng,Jingjing Zhang,Hongye Cheng,Lifang Chen,Zhiwen Qi
When evaluating ionic liquids (ILs) for extractive desulfurization (EDS) of fuel oils, the inevitable presence of water in the system may have a significant and in many cases strongly negative effect. However, few studies have considered this particular issue and a promoted water effect on EDS is scarcely reported. In this work, COSMO-RS was firstly employed to calculate the capacity and selectivity for EDS of various IL/H 2 O mixtures, which cover different IL characters and a wide water concentration range. Experiments were then conducted with a representative IL [C 4 MIM][H 2 PO 4 ], whose stable and even promoted extraction performance with a small amount of water was suggested by COSMO-RS. Through analyses of the desulfurization ratio, the cross-solubility and the water content in the desulfurized fuel, the promoted effect of water within a certain range (< 10 wt%) was experimentally demonstrated. Moreover, such effect of water was explained combining the viscosity, the solvent–solute interactions and the COSMO-RS based analysis.
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2016
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IF 2.567
Xiaomin Zhang,Xi Feng,He Li,Jing Peng,Youting Wu,Xingbang Hu
The solubility of SO2 and CO2 in four cyano-containing protic ionic liquids (PILs) was experimentally measured at temperatures from 303.2 to 333.2 K and pressures up to 3.0 bar. Their physical properties, such as density, viscosity, and decomposition temperature, were also determined. It is found that [DMPANH][MOAc] and [DMAPNH][EOAc] have the best selective absorption of SO2 from CO2 at 303.2 K and 1.0 bar among the investigated PILs, and the ideal selectivities (119 and 107, respectively) of SO2/CO2 are significantly higher than those reported in literature for other ILs. The temperature-dependent Krichevsky–Kasarnovsky (K–K equation) and PR-NRTL equations are used to calculate the solubility data of SO2 and CO2, and the interactions between PILs and acid gases are analyzed thermodynamically. Quantum chemical calculations are also done to obtain the interaction configurations and energies. It is shown from the themodynamic analysis and the quantum chemical calculations that the interaction between SO2 and PILs is more energy favorable than that between CO2 and PILs, primarily due to the existence of the cyano group on the cation of PILs. The protic ionic liquids were reused for five absorption–desorption cycles without obvious loss in the absorption capacity, showing their potential as selective absorbents of SO2.
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Journal of the Taiwan Institute of Chemical Engineers
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2016
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IF 2.848
Bin Jiang,Zhaohe Huang,Luhong Zhang,Yongli Sun,Huawei Yang,Hanrong Bi
In this work, several kinds of imidazolate-based ether-functionalized ionic liquids (ILs) were synthesized and used for CO 2 capture. It is note-worthy that IL with [C 6 O 2 mim] + as cation has much smaller molecular weight but similar mole capacity compared with those with [P 66614 ] + , which is usually used as cation for anion-functionalized ILs in the carbon capture process. Among these task functionalized ILs, [C 6 O 2 mim][4-Br-Im] can be a potential candidate for carbon capture. Not only has [C 6 O 2 mim][4-Br-Im] an extremely high CO 2 capacity (more than 1.60 mol CO 2 per mol IL achieved), but also shows high uptake efficiency and recovery capability. In addition, [C 6 O 2 mim][4-Br-Im] has higher thermal stability, higher water stability and lower absorption enthalpy. The mechanism of this carbon capture process was investigated by FT-IR and NMR spectroscopy. Surprisingly, in this process, CO 2 first bound the cations to form zwitterions. When CO 2 was continuously bubbled into ILs, the zwitterions started to dissociate and the anions combined with CO 2 . It is verified that this process is a carbon capture transforming process with the Cationic-drive transforming to Anionic-drive. This work offers a deep understanding of the combination process between CO 2 and imidazolate-based with aprotic heterocyclic anions.
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Analytical Methods
·
2024
·Vol. 16
·期 46
·7955-7964
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IF 2.7
Si-si Liu,Shi-bao Chen,Yu-bo Yue,Xiao-hao Li,Chi Zhang,Guang-Guo Ying,Chang-Er Chen
Due to their wide applications, occurrence and “PFAS-like” environmental behaviors, ionic liquids (ILs) represent a new challenge for the environmental monitoring community, who require robust analytical methods that can determine accurately and efficiently their environmentally relevant concentrations. A new passive sampling method based on the diffusive gradients in thin films (DGT) technique was developed for the measurement of imidazole-based ILs in waters using a mixed-mode cation exchange (MCX) resin as the adsorbent. The selected binding gel had a high binding capacity (>170 μg per disc) for ILs. Diffusion coefficients measured using a diffusion cell correlated well with alkyl chain lengths (r2 = 0.95) and retention times (r2 = 0.88), providing a simple and rapid prediction approach for other ILs. The assembled MCX-DGT sampler exhibited a linear accumulation for at least 120 h. MCX-DGT also showed good performance under typical freshwater conditions (pH 5–8, ionic strength 0.001–0.01 M, and humic acid 0–5 mg L−1), while still being problematic for aquatic conditions with higher ionic strength (>0.1 M) or DOM (>10 mg L−1). Laboratory deployment (for up to 3 days) in spiked natural freshwater (SNW) resulted in linear mass uptakes for the short-chain ILs (C2–C8), and their DGT-measured concentrations agreed well with solution concentrations. However, MCX-DGT significantly overestimated the concentrations of the long-chain ILs (C10–C12) when deployed in SNW for one day or more, which is attributed to the strong competitive adsorption of the long-chain ILs by natural organic matter. In situ field evaluation along with grab sampling found no target ILs in a wastewater treatment plant and its receiving river, implying that these new chemicals might not be widely used in South China now. This is the first report on the DGT technique for ILs and might provide an effective tool for monitoring short chain length ILs in the aquatic environment in the near future.
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PubMed
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
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IF 2
Yong Zheng,Jiahuan Luo,Ling Li,Qian Wang,Huichao Lv,Kai Wang,Changwei Lai
In this study, six pure 1-alkyl-2-methylpyrazolium-based ionic liquids (ILs) with methyl sulfate and bis(trifluoromethylsulfonyl)imide anions ([Cnmpz][MeSO4] and [Cnmpz][NTf2], n = 2, 3, and 4) were prepared and characterized. The density, viscosity, and refractive index of these pure ILs were measured from 298.15 to 353.15 K at 101.3 kPa, which fitted well with the corresponding empirical equations. Moreover, the values of the isobaric thermal expansion coefficient were also obtained. The results of experiments and density functional theory calculations indicate that the adjacent positions of two nitrogen atoms in pyrazolium cations lead to the close packing of ions, strong cation–anion interaction, and high molar polarizability per unit volume. The effects of temperature and N-alkyl chain length on the density, viscosity, and refractive index of these ILs are similar to those for imidazolium-based salts. Compared with [Cnmpz][MeSO4], [Cnmpz][NTf2] exhibits a higher density, lower viscosity, and lower refractive index under the same conditions. Moreover, the correlation between density and refractive index was studied, and a new empirical equation was proposed to express this correlation at different temperatures. It is expected that this work will enable deeper insights into the properties, structure, and structure–property relationship of pure pyrazolium-based ILs.
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RSC Advances
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2017
·Vol. 7
·期 43
·27017-27023
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IF 3.108
Guanglei Zhao,Fengli Wang,Xiongfei Lang,Beihai He,Junrong Li,Xiaofeng Li
As an important cellulose derivative, esterified cellulose nanocrystals (E-CNCs) could be applied in biomedical and chemical industries. A facile one-pot enzymatic method was proposed for the preparation of esterified cellulose nanocrystals with methyl laurate by using native cellulose as raw material in a binary ionic liquid (IL) system. 1-Butyl-3-methylimidazolium hydrogen sulfate ([BMIm]HSO4), a hydrophilic IL, acted as catalyst and solvent to produce cellulose nanocrystals (CNCs). 1-Butyl-3-methyl-imidazolium tetrafluoroborate ([BMIm][BF4]), which is hydrophobic, was used as a solvent for improving the lipase performance. The key reaction conditions, including mass ratio of [BMIm]HSO4/[BMIm][BF4], molar ratio of methyl laurate/anhydroglucose unit (AGU) in cellulose, mass ratio of lipase/cellulose, and reaction time, showed significant influences on the enzymatic transesterification of CNCs. The ester products were confirmed by FT-IR and 13C NMR analysis. The crystalline structure of E-CNCs was revealed by XRD. Compared with native cellulose, the E-CNCs showed improved crystallinity. TEM data showed the width of rod-shaped E-CNCs in the range of 10–30 nm. Compared to native cellulose, the thermal stability of E-CNCs was decreased due to the higher surface areas exposed to heat. This is the first successful preparation of E-CNCs with long-chain fatty acids from cheap native cellulose in a one-pot method.
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BIOCATALYSIS AND BIOTRANSFORMATION
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2024
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IF 1.4
Kang-Hong Wang,Shuangfei Li,Ying-Fen Meng,Yong Zou,Guo-Bin Liang,Cheng Yang,Zhen Yang
Tyrosol is a principle phenolic compound present in olive oil and wine with great pharmacological potentials due to its strong antioxidant property. Its application can be highly extended by increasing its lipophilicity through esterification. In this study, tyrosol esters were synthesized by enzymatic transesterification of tyrosol with vinyl esters, with a commercial lipase from Novozymes (Novozym 435, Candida antarctica lipase B (CALB) immobilized on macroporous acrylic resin beads) as the catalyst, both in organic solvents and in ionic liquids. Methyl tert-butyl ether (MTBE) was the best solvent, offering complete conversions towards the synthesis of tyrosol esters with varying chain lengths (C2-C18) within 1 h. Taking the enzymatic transesterification between tyrosol and vinyl acetate as the model reaction, 18 organic solvents and 24 ionic liquids were screened, and their solvent properties (i.e. hydrophobicity, polarity, viscosity, water activity, and partition coefficients of substrate and product) were correlated to the enzyme activity. Upon enzyme screening, four new lipases were found to be highly efficient, relative to the best-performed Novozym 435 and Lipozyme TLIM (Thermomyces lanuginosus lipase (TLL) immobilized on silica gel), in tyrosol ester synthesis. This work provides enzymatic methods of esterifying tyrosol that are much more efficient than those reported in literature, and will shed light on re-consideration of the roles of solvents in nonaqueous enzymology.
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Gels
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2024
·Vol. 10
·期 4
·278
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IF 5
Chao Zhou,Mengdi Sun,Danni Wang,Mingmei Yang,Jia Ling Celestine Loh,Yawen Xu,Ruzhi Zhang
Repairing damaged tissue caused by bacterial infection poses a significant challenge. Traditional antibacterial hydrogels typically incorporate various components such as metal antimicrobials, inorganic antimicrobials, organic antimicrobials, and more. However, drawbacks such as the emergence of multi-drug resistance to antibiotics, the low antibacterial efficacy of natural agents, and the potential cytotoxicity associated with metal antibacterial nanoparticles in hydrogels hindered their broader clinical application. In this study, we successfully developed imidazolium poly(ionic liquids) (PILs) polymer microspheres (APMs) through emulsion polymerization. These APMs exhibited notable antibacterial effectiveness and demonstrated minimal cell toxicity. Subsequently, we integrated the APMs into a gelatin methacryloyl (GelMA)—polyethylene glycol (PEG) hydrogel. This composite hydrogel not only showcased strong antibacterial and anti-inflammatory properties but also facilitated the migration of human skin fibroblasts (HSF) and human umbilical vein endothelial cells (HUVECs) and promoted osteogenic differentiation in vitro.
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PubMed
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CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Yan Chen,Fangfang Li,Laiyao Liu,Ying-Hua Zhou
It is critical to design an effective catalyst for CO 2 conversion into cyclocarbonate to achieve the carbon neutrality. Herein, MIL-101(Cr) tethered by hydrogen bond donors (HBD)-containing ionic liquids (denoted as MIL-101-ILs(R), R = OH, NH 2 , and COOH) were synthesized through the implantation of 4,4′-bipyridine into MOF nodes via the post-synthetic modification, followed by the decoration with bromoalkanes including bromoethanol, bromoethylamine, and bromoacetic acid. Their catalytic performance were evaluated by the epoxide cycloaddition reaction under 1.0 MPa CO 2 and 80 ℃ for 6 h in the absence of solvent and cocatalyst. Compared to MIL-101-ILs without HBD, MIL-101-ILs(OH) and MIL-101-ILs(NH 2 ) demonstrated the more chloropropene carbonate (CPC) yield of 88 % and 83 %, respectively. Notably, MIL-101-ILs(COOH) exhibited an uppermost activity with a CPC yield of 96 %, attributed to the cooperativity of Lewis acidity originating from Cr 3 O clusters, hydrogen-bond interaction afforded by carboxyl groups, and the strong nucleophilicity offered by Br - ions of ILs. Moreover, MIL-101-ILs(COOH) presented excellent recyclability. A potential catalytic mechanism for epoxide cycloaddition with CO 2 into cyclic carbonate has been proposed.
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ACS Sustainable Chemistry & Engineering
·
2017
·
IF 5.951
Tengfei Wang,Danning Zheng,Jingshun Zhang,Baowan Fan,Yuan Ma,Tiegang Ren,Li Wang,Jinglai Zhang
A series of novel protic pyrazolium ionic liquids are first synthesized and utilized as catalysts for cycloaddition of carbon dioxide and epoxides to form cyclic carbonates under metal- and solvent-free conditions. The new developed protic pyrazolium ionic liquids present excellent catalytic activity toward the fixation of carbon dioxide. More importantly, they would be prepared by a facile two-step reaction from cheap raw starting materials with a yield more than 90%. The influence of catalyst dosage, reaction temperature, carbon dioxide pressure, and reaction time on the synthesis of cyclic carbonates is investigated to identify the optimal reaction conditions. Under the optimum conditions, the catalyst suitability is studied. Additionally, the possible reaction mechanism is investigated by the double-IL model to elucidate the synergistic effects of electrostatic and weak interaction in the catalytic process.
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Journal of Materials Chemistry A
·
2025
·
IF 9.5
Ning Zhang,Yuan Li,Wei Zhang,Yanling Liu,Yongjian Pei,Jie Zhao,Ping Ning,Kai Li
The effective and sustainable separation and recovery of monovalent and divalent metal ions from spent lithium-ion batteries after acid/alkali leaching still remains a big challenge to hydrometallurgical technologies. In this work, we prepared a novel crown ether-ionic liquid functionalized membrane for the selective separation of mono/divalent ions using electrodialysis (ED). a novel membrane was designed by incorporating 15-crown ether-5 (15C5), a crown ether with specific recognition for alkali metal ions, through combining interfacial polymerization and self-assembly techniques into the tunable ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C4mim][NTf2]). The resultant hybrid coating forms a channel structure for the selective transport of monovalent ions. Systematic characterisations on membrane structure, physicochemical properties, and electrochemical performance were performed before and after modification. The ion transport mechanism was performed using ion diffusion mathematical modeling and density functional theory. The designed crown ether ionic liquid functionalized modified membrane 15C5-IL(2)/Cu-MPD showed excellent selectivity for various monovalent/divalent ion pairs of Li+/Mg2+, Na+/Mg2+, and K+/Mg2+ with the values of 5.33, 5.45, and 13.39, respectively. Besides, the membrane was pH-responsive, and it showed a selectivity of Li⁺/Mg²⁺ at 10.45 in the case of pH 7.5. This may be due to the synergistic effect of pore size screening brought about by the distribution of modified components and specific interactions, for instance 15C5/O--Li+. This simple approach opens a new avenue in the quest for selective IEMs for separations of certain cations by ED.
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JOURNAL OF MOLECULAR LIQUIDS
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2024
·
IF 5.3
Bingyi Han,Xiaoxiu Lun,Jing Zhang,Weifang Ma,Qunbo Qiao
Amino acid ionic liquids (AAILs) have good absorption performance for carbon dioxide (CO 2 ). However, there is no unified understanding of the absorption mechanism. In this study, synthesis and characterization of four ionic liquids (ILs) based on amino acid (aminate) anions, namely 1-butyl-3-methylimidazolium L-alaninate ([BMIm]Ala), 1-butyl-3-methylimidazolium arginate ([BMIm]Arg), 1-butyl-3-methylimidazolium glycinate ([BMIm]Gly) and 1-butyl-3-methylimidazolium lysinate ([BMIm]Lys), were accomplished, where the cation adopted was [BMIm] + . Further, their CO 2 absorption capacities were examined. The CO 2 molar uptake rankings for the investigated aminate-ILs are [BMIm]Arg > [BMIm]Lys > [BMIm]Gly > [BMIm]Ala, with [BMIm]Arg displaying stronger CO 2 absorption (0.85 mol CO 2 /mol IL under 10.0 bar). In contrast to non-functionalized ILs and amine functionalized cation ILs, the CO 2 solubility of as-synthesized aminate-ILs is higher. More importantly, the Quantum Theory of Atoms-in-Molecules (QTAIM) at the M06-2X/6-311++G(d, p) level was exploited to theoretically explore the CO 2 absorption mechanism and kinetics of the aminate-ILs. It was found that the alkyl chain length along with the quantity of amine (–NH 2 ) groups in aminate anions affected their absorption of CO 2 . Facilitated absorption of CO 2 was noted when the amine group quantity of ILs structures rose. The chemisorption nature was determined according to the enthalpy changes in the process of CO 2 capture. As suggested by the kinetic findings, [BMIm]Gly exhibited higher absorption rate of CO 2 compared to [BMIm]Ala, since the steric hindrance in the latter is higher because of an extra methyl group in the aminate chain. Additionally, topological exploration revealed that the C–N bond critical point had a covalent nature, indicating that CO 2 capture was a chemisorption event. In conclusion, based on the kinetic energy findings combined with the interaction and topological analyses, [BMIm]Arg was identified as the optimal candidate for CO 2 absorption from the thermodynamic and kinetic perspectives, which was consistent with the CO 2 absorption experiment. Finally, four other aminate-ILs were synthesized using 1-ethyl-3-methylimidazolium ([EMIm] + ) as a cation, namely 1-ethyl-3-methylimidazolium asparagine ([EMIm]Asn), 1-ethyl-3-methylimidazolium glutamine ([EMIm]Gln), 1-ethyl-3-methylimidazolium threonine ([EMIm]Thr) and 1-ethyl-3-methylimidazolium glutamic ([EMIm]Glu). The universality of the above conclusions was verified through theoretical calculations and CO 2 absorption experiments.
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