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JOURNAL OF POWER SOURCES · 2022 · IF 9.794

A new ether-based medium-concentrated electrolyte for lithium–sulfur battery with lean Li anode

Xirui Kong,Yichen Kong,Lang He,Wenna Zhang,Yi Song,Sheng Liu,Yan Zhao

A new ether-based electrolyte with tetrahydrofuran (THF) and di-isopropyl ether (DIPE) is proposed for Lithium–Sulfur battery (LSB). By employing the common ion effect and the weakly-solvating solvent (such as DIPE), the dissolution of lithium polysulfides and the self-discharge effect are effectively inhibited. Besides, the LiFSI has be used as the co-salt in the LiTFSI-based electrolyte to improve the ionic conductivity and inhibit the side reaction on Li metal anode . It is worth mentioning that, the L1L2TD-1382 electrolyte (LiTFSI: LiFSI: THF: DIPE = 1 : 3: 8 : 2, molar ratio) ensures a stable cycling for more than 500 cycles with a high Columbic efficiency (CE) of Li deposition/stripping (>99.3%). Impressively, with selenium doped sulfurized polyacrylonitrile (SeSPAN) cathode, the Li–S cell has delivered a high capacity of 626 mAh g −1 in 500th cycle with an excellent capacity retention no less than 93%. This work provides a new insight to electrolyte design strategy of advanced electrolytes for Li–S batteries .

研究领域: 材料科学 · 电化学
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JOURNAL OF SOLUTION CHEMISTRY · 2018 ·Vol. 47 ·期 3 ·544-559 · IF 1.401

Density, Viscosity and Volatility of Binary Mixtures of Isopropyl Ether and exo-Tetrahydrodicyclopentadiene

Li Dan,Wu Qian,Liu Li,Guo Meng,Wang Huiqin

Measurements of density, viscosity and vapor pressure for binary mixtures of exo -tetrahydrodicyclopentadiene (JP-10) with isopropyl ether are reported at temperatures of (293.15, 298.15, 303.15, 308.15, and 313.15) K over the entire composition range. The excess molar volumes, viscosity deviation and excess Gibbs energies of activation for the binary systems were calculated from the experimental values and fitted with the Redlich–Kister equation. Isopropyl ether was added to enhance the vapor pressure of JP-10. Experimental vapor pressure data were correlated by the Antoine equation. Several semi-empirical equations were used to correlate the viscosity data. The McAllister equation gives relatively satisfactory results for the correlation. The experimental and correlated data could be used in the development of models for mixtures of hydrocarbons with oxygenates.

研究领域: 物理化学 · 流体性质 · 燃料科学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2019 · IF 2.29

Separation of the mixture (isopropyl alcohol + diisopropyl ether + n-propanol): Entrainer selection, interaction exploration and vapour-liquid equilibrium measurements

Yi Zhang,Baotao Diao,Dongmei Xu,Haihua Jiang,Lianzheng Zhang,Jun Gao,Yinglong Wang

For separation of the mixture {isopropyl alcohol (IPA) + diisopropyl ether (DIPE) + n-propanol (NPA)} by extractive distillation, propylene glycol ethyl ether (PGEE) was used as an entrainer based on selectivity since isopropyl alcohol + diisopropyl ether can an azeotrope. To explore the interaction mechanism between the entrainer PGEE and the components in the mixture, the charge density surface (σ-profiles) and the interaction energies were calculated based on the COSMO-SAC model and Dmol 3 , which could provide theoretical insight into interactions at the molecular level. Then, the data of isobaric vapour-liquid equilibrium (VLE) for (IPA + PGEE), (DIPE + PGEE) and (NPA + PGEE) systems were measured at 101.3 kPa. The NRTL, UNIQUAC and Wilson equations were applied to correlate the measured VLE data, and the thermodynamic model parameters for the binary systems were obtained by fitting the VLE data, which is helpful for the simulation and optimization of the separation process.

CAS / MDL: 1569-02-4
研究领域: 化学工程 · 分子模拟
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JOURNAL OF MOLECULAR LIQUIDS · 2021 · IF 6.165

Separation of lithium isotopes by crown ether-room temperature ionic liquid-anisole friendly solvent system

Bing Liu,Yongzhong Jia,Zezheng Zhang,Huaxin Sun,Ying Yao,Yan Jing,Mixiang Qi,Quanyou Zhang

The solvent extraction separation of lithium isotopes has become of growing interest due to the need for 6 Li and 7 Li isotopes in the nuclear industry. A one-step synthesis of room temperature ionic liquid with low viscosity 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIm][NTf 2 ]) (with reaction yields of 87.47%) was used by the ultrasonic method. The addition of ionic liquid [EMIm][NTf 2 ] in the system significantly improved the extraction efficiency and separation factor compared to the traditional organic solvent anisole for extraction separation of lithium isotopes. The distribution ratio increased from 0.00145 (with the single stage separation factor of 1.024 ± 0.001) to 0.134 (with the single stage separation factor of 1.034 ± 0.001). Furthermore, a multi-stage extraction process was intended to enhance lithium isotope separation performance. Each stage of stripping can be considered as an extraction separation equilibrium process, in which the strip liquor from the load organic phase is used for separation in the next stage as the “original aqueous solution”. The abundance of 6 Li + gradually improved with an increase in the extraction stages. The relative abundance of 6 Li + increased by 1.492% at the 20-stage extraction separation (from 7.53% to 9.022%). This new and simple approach (stripping cross-flow multistage method (SCFM)) was to achieve large enrichment of lighter isotopes of lithium ( 6 Li + ) by combined extraction and stripping process. In summary, the present study offers the possibility for the enrichment of 6 Li + during lithium isotope extraction separation.

研究领域: 化学 · 核工业
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2021 · IF 3.178

Separation of isopropyl ether and acetone using ionic liquids based on quantum chemistry calculation and liquid–liquid equilibrium

Yanli Zhang,Huiyuan Li,Haixia Li,Rongli Shan,Zhaoyou Zhu,Yinglong Wang,Jun Gao

Selecting green and efficient extractive solvents are the inevitable requirement of sustainable development. Ionic liquids as green solvents are widely used in the separation of organic substance. In this manuscript, ionic liquids are used as extractive solvents to separate isopropyl ether-acetone system. The selected ionic liquids are 1-ethyl-3-methylimidazole dinitrile amine [EMIM][DCA], n-butyl-3-methylimidazole trifluoromethane sulfonate [BMIM][OTF], 1-ethyl-3-methylimidazole trifluoromethane sulfonate [EMIM][OTF]. Firstly, the relation between H-bonding donor and H-bonding acceptor is description by COSMO-SAC model based on the extraction mechanism. After that the experiments of liquid–liquid equilibrium are conducted at T = 298.15 K and P = 101.325 kPa, and the liquid–liquid equilibrium data are correlated by NRTL model. The results indicate that the model has a good correlation with the experimental results. Finally, the extraction mechanism is discussed at micro scale. The H-bonding interaction between ionic liquids and acetone, including total charge density, bond length, deformation charge density and interaction energy, is determined by quantum chemistry calculation. The quantum chemical calculation and experimental process provide theoretical guidance for the highly efficient separation of acetone - isopropyl ether binary system.

CAS / MDL: 64-17-5
研究领域: 化学工程 · 环境科学
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JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY · 2022 · IF 6.76

Extracting phenolic compounds from aqueous solutions by cyclohexanone, a highly efficient extractant

Weibin Cai,Haihan Wang,Q. Gary Yang,Tiankun Liu,Yujun Wang

Methyl isobutyl ketone (MIBK) and diisopropyl ether (DIPE) are two commonly used extractants in industry, but their efficiency in extracting phenols , especially polyhydroxyphenols, is low. In the work, a highly-efficient extractant was proposed to extract phenolic compounds, including polyhydroxyphenols. The interactions between three extractants, cyclohexanone (CYC), MIBK and DIPE, and phenols were analyzed by the COSMO-RS method and CYC shows stronger interactions with phenols than MIBK and DIPE. The results of Fourier-transform infrared spectroscopy (FTIR) show that strong hydrogen bonds are formed between CYC and phenolic compounds, in agreement with the results of the COSMO-RS method. The effects of concentration, temperature and pH values on the extractant performance were studied. Results showed that the performance of CYC is the best, followed by MIBK and DIPE, whose performance is the worst. As CYC was used as the extractant, the distribution coefficients of the three phenolic compounds, phenol, resorcinol and phloroglucinol, are 96.7, 47.8, 13.0, respectively. These values are 35%, 263%, and 160% larger than those of phenol, resorcinol and phloroglucinol, respectively, corresponding to MIBK. CYC is a highly-efficient extractant for the extraction of phenolic compounds, including polyhydroxyphenol.

研究领域: 化学工程 · 环境科学 · 分析化学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Synergistic Extraction of Hydroquinone from an Aqueous Solution with a Solvent Mixture of Diisopropyl Ether and n-Pentanol at T = 298.15 K and P = 101.3 kPa: Liquid–Liquid Equilibria and Data Correlation

Miyangzi Suo,Bokun Chen,Yu Qian,Siyu Yang

The synergistic effect for a solvent mixture of diisopropyl ether and n-Pentanol to extract hydroquinone from aqueous solution was investigated. Liquid–liquid equilibrium data of the quaternary (n-Pentanol + diisopropyl ether + water + hydroquinone) system were measured at T = 298.15 K and P = 101.3 kPa, using various compositions of solvent mixture. It can be seen from the slope of the tie lines that with the increase of distribution coefficients of hydroquinone, the size of the immiscible solution region decreased slightly. The extraction efficiency was evaluated by calculating the separation factor and distribution coefficient. Using the universal quasichemical (UNIQUAC) and nonrandom two-liquid (NRTL) models to correlate with experimental data, the corresponding binary interaction parameters were obtained. The RMSD values of UNIQUAC and NRTL models showed that the calculated results were in good agreement with the liquid–liquid equilibrium data.

CAS / MDL: 71-41-0
研究领域: 化学工程 · 物理化学 · 环境科学
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ACS Omega · 2025 · IF 4.3

Extraction of Phenolic Compounds with the Highly Efficient Novel Coextractants Cyclohexanone and Methyl Isobutyl Ketone

Gary Q. Yang,Weibin Cai,Tiankun Liu,Yujun Wang,Liangxia Sun

Extractant selection is the most important aspect for the extraction treatment of phenolic wastewater from the coal chemical industry. Highly efficient extractants are urgently needed. To our knowledge, we identified for the first time one set of coextractants, cyclohexanone and methyl isobutyl ketone (MIBK), after spending plenty of time and energy for the extraction of phenolic compounds, including polyhydroxyphenol, from wastewater. Fourier transform infrared (FTIR) spectroscopy of the solvents before and after extraction shows that intermolecular hydrogen bonding between the molecules of the extractants and phenols is established, contributing to the high performance. The effects of pH, temperature, and salt concentration on the extractant performance were then studied. The extraction favors acidic and neutral pH values. Increasing the temperature has a negative influence on the extraction. The salt effect by putting inorganic salt can obviously enhance the extractant performance. Compared with single extractants such as MIBK and diisopropyl ether (DIPE), coextractants have significantly improved recovery rates of resorcinol and phloroglucinol. To learn if this set of coextractants also has good performance in practical extraction processes for the treatment of industrial wastewater, three-stage countercurrent extraction experiments were carried out with these coextractants for the extraction of phenolic compounds from coal chemical wastewater. Cascade experiments were used to simulate and verify the countercurrent extraction process in actual industry. According to the results, it is observed that this set of coextractants also has good performance in practical extraction processes for the treatment of industrial wastewater.

研究领域: 环境化学 · 化学工程 · 废水处理 · 分离科学
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Polymers · 2024 ·Vol. 16 ·期 12 ·1680 · IF 4.7

An Ionic Liquid Supramolecular Gel Electrolyte with Unique Wide Operating Temperature Range Properties for Zinc-Ion Batteries

Hui Li,Changmiao Huang,Zixuan Teng,Yushu Luo,Chaocan Zhang,Lili Wu,Wenchao Huang,Tingting Zhao,Lijie Dong,Wanyu Chen

Zinc-ion batteries are promising candidates for large-scale energy storage. The side reactions of the hydrogen evolution reaction (HER) and zinc dendrite growth are major challenges for developing high-performance zinc-ion batteries. In this paper, a supramolecular gel electrolyte (BLO-ILZE) was self-assembled in an ionic liquid (EMIMBF4) with zinc tetrafluoroborate (Zn(BF4)2) on the separator in situ to obtain a gel electrolyte used in zinc-ion batteries. BLO-ILZE is demonstrated to significantly enhance conductivity over a broad temperature range between −70 and 100 °C. Interestingly, through testing and fitting, it is found that the supramolecular gel electrolyte satisfies the liquid state law over a wide temperature range, and even achieves high conductivity (2.12 mS cm−1) at −40 °C. It is equivalent to the conductivity of aqueous zinc-ion batteries (ZnSO4/H2O) at −10 °C, which is 2.33 mS cm−1. Moreover, the supramolecular gel electrolyte can effectively inhibit the HER, thus exhibiting a longer lifetime in Zn/Zn cells for 3470 h at 1 mA cm−2compared to the aqueous zinc-ion batteries with the Zn(BF4)2aqueous electrolyte (400 h at 1 mA cm−2). The assembled V2O5/BLO-ILZE/Zn full cells also showed cycling performance, with 5000 cycles at 0.5 mA g−1at room temperature, a capacity of 98%, and a coulombic efficiency of about 100%.

研究领域: 材料科学 · 电化学
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Polymers · 2020 ·Vol. 12 ·期 3 ·632 · IF 3.426

Triply Biobased Thermoplastic Composites of Polylactide/Succinylated Lignin/Epoxidized Soybean Oil

Jianbing Guo,Jian Wang,Yong He,Hui Sun,Xiaolang Chen,Qiang Zheng,Haibo Xie

Soybean oil is beneficial to improve the compatibility between polylactide (PLA) and succinylated lignin (SAL), which leads to the preparation of a host of biobased composites containing PLA, SAL, and epoxidized soybean oil (ESO). The introduction of SAL and ESO enables the relatively homogeneous morphology and slightly better miscibility obtained from triply PLA/SAL/ESO composites after dynamic vulcanization compared with unmodified PLA. The rigidity of the composites is found to decline gradually due to the addition of flexible molecular chains. According to the reaction between SAL and ESO, theTgof PLA/SAL/ESO composites is susceptible to the movement of flexible molecular chains. The rheological behaviors of PLA/SAL/ESO under different conditions, i.e., temperature and frequency, exhibit a competition between viscidity and elasticity. The thermal stability of the composites displays a slight decrease due to the degradation of SAL and then the deterioration of ESO. The elongation at break and notched impact strength of the composites with augmentation of ESO increase by 12% and 0.5 kJ/m2, respectively. The triply biobased PLA/SAL/ESO composite is thus deemed as a bio-renewable and environmentally friendly product that may find vast applications.Keywords:lignin;polylactide composite;epoxidized soybean oil;dynamic vulcanization

研究领域: 材料科学 · 化学工程 · 高分子科学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2018 · IF 2.631

Liquid-liquid equilibrium for ternary systems of water + 2,2,3,3-tetrafluoro-1-propanol + isopropyl ether/tert-butyl methyl ether at 298.2, 308.2 K

Qingsong Li,Bing Jia,Liping Wang,Mengmeng Yan,Hai Liu,Yingmin Yu

The liquid-liquid equilibrium (LLE) data for the water + 2,2,3,3-tetrafluoro-1-propanol + isopropyl ether/tert-butyl methyl ether ternary systems were measured at 298.2 K and 308.2 K under 101.3 kPa. The distribution coefficients and separation factors were employed to assess the capacity of solvents to extract 2,2,3,3-tetrafluoro-1-propanol from aqueous solution. Meanwhile, the reliability of the experimental data was confirmed using the Bachman and Hand equations. The NRTL and UNIQUAC models were used to correlate the experimental data and relevant binary interaction parameters were regressed. The root mean square deviations (RMSD) of the NRTL and the UNIQUAC models were less than 0.5%, which indicate that the experimental LLE data can be successfully correlated by both models.

CAS / MDL: 1634-04-4 108-20-3
研究领域: 化学工程 · 热力学
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ENZYME AND MICROBIAL TECHNOLOGY · 2018 · IF 2.932

Convenient preparation of sagittatoside B, a rare bioactive secondary flavonol glycoside, by recyclable and integrated biphase enzymatic hydrolysis

Yuping Shen,Man Wang,Yufei Chen,Lili Xu,Yi Lu,Yiying Zhou,James P. Tam,Feng Han,Huan Yang,Xiaobin Jia

Sagittatoside B, a rare secondary flavonol glycoside in Epimedii Folium, has much better in vivo bioactivities than its original glycoside epimedin B. Its preparation methods, such as acidic hydrolysis, are of low efficiency, and byproducts are generated. The objective of this study was to establish a novel catalysis system for convenient preparation of this compound based on recyclable and integrated biphase enzymatic hydrolysis. β -glucanase was selected from five commercial enzymes based on the best catalysis performance. After optimization of the conditions, the biphase system was constructed with propyl acetate and HAc-NaAc buffer (pH 4.5) (1:1 , v/v ) containing β -glucanase/epimedin B (1:2, w/w ), and the hydrolysis was performed at 60 °C for 1 h. Consequently, epimedin B was completely hydrolyzed to sagittatoside B, and 95.7% of the product was transferred into the organic phase. Moreover, a high conversion ratio of 94.0% was achieved, even after the enzyme solution was used for six cycles. Additionally, the procedure was much simplified compared with conventional enzymatic hydrolysis. The newly proposed strategy is an efficient and promising approach for the preparation of sagittatoside B in industrial applications.

研究领域: 植物化学 · 药物化学 · 生物催化
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