JOURNAL OF CHEMICAL THERMODYNAMICS
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2019
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IF 2.29
Xuzhao Yang,Jun Wang,Yun Fang
Experimental s olubility of D-(+)-glucose and D-(−)-fructose in three asymmetrical dicationic ionic liquids (DILs), 1-(3-(trimethylammonio)prop-1-yl)-3-methylimidazolium bis(dicyanamide) ([MIMC 3 N 111 ][N(CN) 2 ] 2 ), 1-(3-(trimethylammonio)prop-1-yl)-1-methylpiperidinium bis(dicyanamide) ([MPiC 3 N 111 ][N(CN) 2 ] 2 ) and 1-(3-(trimethylammonio)prop-1-yl)pyridinium bis(dicyanamide) ([PyC 3 N 111 ][N(CN) 2 ] 2 ), was determined through an isothermal technique from 323.15 K to 353.15 K at 0.1 MPa. The solubility of the two sugars in selected DILs increased with elevating temperature and the solubility decreased in the following order: D-(−)-fructose > D-(+)-glucose. The Apelblat, λh , NRTL, Wilson and UINQUAC models were respectively employed to correlate the experimental solubility values with temperature. The thermodynamics of dissolution of D-(+)-glucose and D-(−)-fructose in the studied DILs, enthalpy of dissolution (Δ diss 0 H ), Gibbs energy of dissolution (Δ diss 0 G ) and entropy of dissolution (Δ diss 0 S ), were also evaluated based on the experimental solubility data. The results indicated that enthalpic contributions were dominant in the dissolution process of D-(+)-glucose and D-(−)-fructose in those DILs.
研究领域:
物理化学
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溶液化学
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热力学
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绿色溶剂
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碳水化合物化学
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2022
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IF 6.633
Hongjun Zang,Yimo Feng,Jing Lou,Kai Wang,Changchun Wu,Zhipeng Liu,Xi Zhu
Ionic liquids have shown good catalytic performance and been widely used in the biomass conversion process due to their unique properties, including environmental friendship, low toxicity, and simple preparation. In this work, a series of novel piperidinium-based ionic liquids were synthesized under mild conditions via a simple protonation reaction or nucleophilic substitution reaction. Among them, 4,4′-(propane-1,3-diyl)bis(1-(carboxymethyl)piperidin-1-ium) chloride ([PDCMPi]Cl) displayed the best catalytic performance. The highest yield (42.81 %) of 3A5AF from NAG was obtained after reacting in N-methyl-pyrrolidone (NMP) in the presence of piperidinium-based ionic liquids at 180 °C for 20 min under normal atmospheric conditions. Additionally, ionic liquid [PDCMPi]Cl showed good catalytic activity in six repeated catalytic runs. Meanwhile, a possible reaction pathway was also proposed on the basis of the results of NMR spectra.
研究领域:
催化化学
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绿色化学
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生物质能源
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有机合成
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离子液体化学
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高影响因子
ChemistrySelect
·
2026
·Vol. 11
·期 1
·e05835
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IF 2
Lijuan Luo,Weilu Ding,Wen Liu,Zifeng Yang,Mengqian Fu,Weiguo Cheng,Yifan Liu,Qian Su,Qiang Xie
The efficient catalytic conversion of CO 2 into valuable cyclic carbonates represents a promising green route utilizing CO 2 as a C1 resource. In this study, a series of dicationic imidazolium ionic liquids (DPImBr) were designed, and their microstructural properties were precisely modulated by strategically varying the bridge group structure. It was found that DPImBr with shorter bridge chains exhibited enhanced solubility and formed smaller clusters within the reaction system. This resulted in greater exposure of the catalytic active sites, which contributed to superior catalytic activity. Furthermore, functionalization of the bridge group proved effective in regulating the binding energy between cations and anions as well as the chemical hardness of the DPImBr. Among the synthesized catalysts, PRO-DPImBr, which possessed the highest chemical hardness, demonstrated the optimal catalytic performance. Under mild conditions (80°C, 1 MPa), PRO-DPImBr exhibited a propylene oxide (PO) conversion of 95% with 99% selectivity. This high performance was attributed to the presence of a hydrogen bond donor in PRO-DPImBr facilitating ring-opening of propylene oxide (PO) while stabilizing the alkoxide intermediate, thereby enhancing the reaction activity. By combining 1 H NMR spectroscopy and density functional theory (DFT) calculations, a synergistic catalytic mechanism was revealed in which both imidazolium C2-H and the bridged hydroxyl group could act as hydrogen donors to assist PO ring-opening with Br − , thereby promoting the overall reaction. The bridge-mediated strategy proposed in this work provides a novel design approach for developing efficient ionic liquid catalysts under mild reaction conditions. Graphical A series of dicationic imidazolium ionic liquids with varying bridge groups (x-DPImBr) were designed and synthesized, which demonstrated high efficiency in catalyzing conversion of CO 2 into cyclic carbonates under mild conditions (80°C, 1 MPa). The formation of ionic liquid clusters and their influence on catalytic activity were systematically investigated.
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高影响因子
ENERGY
·
2023
·
IF 9
Ben Ji,Bingyou Jiang,Liang Yuan,Yu Zhou,Haoyu Wang,Wenhan Tao,Yuqian Zhang
It is wise to investigate the influence of ionic liquids (ILs) on reducing hydrophobicity and dust pollution of coal from the perspective of side chain groups. In this study, two ILs ([Emim][Cl] and [HOEmim][Cl]), were selected and applied to bituminous coal . The density functional theory results showed that [HOEmim][Cl] containing the –OH group had an energy gap of 5.2895 eV, which was lower than the 5.3873 eV of [Emim][Cl] containing only the -CH3 group. A higher chemical activity of [HOEmim][Cl] was demonstrated due to the presence of the –OH group. A molecular dynamics-based contact angle system was constructed to investigate the wetting properties of coal samples treated with different ILs at the molecular level. The simulation results indicated that, compared to untreated coal, [HOEmim][Cl] exhibited a greater ability than [Emim][Cl] to improve the wetting properties of coal. Contact angle experiments demonstrated that treatment with [Emim][Cl] and [HOEmim][Cl] resulted in a decrease in contact angle by 22.67° and 25.04°, respectively, compared to deionized water , providing validation for the accuracy of molecular simulations . Lastly, the structural changes of coal samples induced by different ILs were observed by FITR, which explained the differences in wetting effects.
研究领域:
能源化学
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环境科学
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计算化学
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煤科学
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表面科学
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高影响因子
ACS Omega
·
2023
·
IF 4.1
Ping Ouyang,Rui Zhang,Jian Zhou,Haiyan Liu,Zhichang Liu,Chunming Xu,Xiangping Zhang,Shaojuan Zeng,Qian Su,Xianghai Meng
Critical processing protocols of industrial bimetallic composite ionic liquid (IL) are necessary to assure good mass transfer rates for process optimization and efficient metal recovery. Here, the effects of different conditions on the electrochemical behavior and copper recovery from the industrial bimetallic composite IL are crucial for effective resource utilization. Cyclic voltammetry (CV) shows that the reduction of Cu(I) to Cu(0) during the cathodic reduction region is the irreversible diffusion-controlled process, and the diffusion coefficient increased with temperature which indicated that increasing temperature could promote the diffusion and mass transfer. During electrodeposition, metallic copper is obtained exclusively on the cathode, while CuCl2 accumulates exclusively on the anode. Scanning electron microscopy shows that the micron-size electrodeposits become larger and significantly rougher with increasing temperature and ultrasonic frequency, illustrating that these factors hasten the nucleation and crystallization rates at high overpotentials. The efficiency of copper recovery is greatly improved by employing high temperature and ultrasonic cavitation, and the highest values correspond to r = 76.9% at 80 °C and r = 63.6% at 40 kHz. The study lays the foundation for efficient and rapid recovery of copper from spent ILs.
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DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2023
·
IF 6
Li Cui,Yuheng Fan,Jin Kang,Caixia Yin,Weilu Ding,Hongyan He,Fangqin Cheng
Lithium isotopes ( 6 Li, 7 Li) separation is an industrially important but challenging process due to their very similar chemical and physical properties. Crown ethers (CEs) have great potential in the isotopes separation for their typical cavity structures. However, the low distribution of Li + has restricted their industrial use. In this work, a novel class of functionalized ionic liquids with grafted crown ether-moieties (CE-FILs) for efficient separation of 6 Li and 7 Li are first reported. The enhanced distribution of Li + could be achieved by the synergistic effect of ion–dipole interaction, hydrogen bonding and coordination interaction. As a result, an exceptionally high distribution coefficient for Li + ( D Li , up to 136) is obtained using 0.3 M [C 6 (B15C5)mim][NTf 2 ] with a satisfied separation factor of 1.034 (at 273 K) for 6 Li/ 7 Li selectivity from an extremely hydrophilic chloride solutions, which strikes an excellent balance between Li distribution and 6 Li/ 7 Li separation. Theoretical calculations and spectroscopic characterization confirm that [C 6 (B15C5)mim][NTf 2 ] supplies as an ion pair receptor to bind Li + , forming a 1:1 ion-pair complex [C 6 (B15C5)mim][NTf 2 ]…Li + FeCl 4 - with double cations and anions. The separation performance of 6 Li/ 7 Li mainly depends on the weak interactions associated with Li + . The CE-FILs pave a new way for Li isotopes separation.
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2023
·
IF 6
Ying Dai,Yan Li,Wenmei Hu,Qinqin Tao,Zhirong Liu
Lanthanides/actinides separation is of importance in many modern industrial engineering fields, e.g. the circulation of the nuclear fuel and rare earth. N,N-dioctyl diglycol amic acid (briefly as DODGA) is known as an effective extractant for extraction of rare earth metal. In this work, two extractants, [N 1888 ][DODGA] and [N 4444 ][DODGA], were developed by using quaternary ammonium as cations and DODGA as anion. The resultant ionic liquids were used to separate europium from europium-uranium binary component system. The influence of several factors (nitric acid concentration, contact time, temperature, metal ions, extractant concentration, salting agent concentration and stripping) were analyzed. The coordination chemistry of Eu(III) with [N 1888 ][DODGA] and [N 4444 ][DODGA] were investigated by the mole-ratio method. The experimental results confirmed that the separation factors ( SF ) of Eu(III)/U(VI) were reached 55.44 and 60.35 for [N 1888 ][DODGA] and [N 4444 ][DODGA]. The stoichiometry of the complex of Eu(III) and [N 1888 ][DODGA] or [N 4444 ][DODGA] were determined as 1:3. Excellent extraction of the target metals and prominent separation factors using these ionic liquids showed that they were viable to separate lanthanides from actinides.
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高影响因子
FUEL
·
2022
·
IF 8.035
Chao Li,Jian Zhao,Huixin Tong,Xiaodong Fan,Xinjie Fang,Yuli Sha,Zhizhong Sun,Wenyi Chu
Ethyl levulinate (EL) is a key platform compound for the catalytic conversion of biomass. Ionic liquids (ILs) have attracted much attention due to their unique tunable structures and wide range of applications, a series of SO 3 H-functionalized imidazole based acidic ILs were designed and synthesized. These SO 3 H-functionalized ILs were used as the catalyst to be applied to the conversion of the wheat straw to EL. Among them, SimIL-6 exhibited good catalytic performance for the conversion of wheat straw to EL in ethanol. When the concentration of SimIL-6 was 30 mmol/L, the yield of EL could reach 20.1 wt% at 180 ℃ for 2 h. Furthermore, SimIL-6 as the catalyst was reused at least six times without significant reduction in catalytic efficiency. This work shed light on a new approach towards the full utilization of biomass and efficient degradation of biomass to EL.
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高影响因子
ACS Applied Materials & Interfaces
·
2022
·
IF 10.383
Hui Zhang,Shendong Xu,Tianle Guo,Du Du,Yuli Tao,Liying Zhang,Guozhen Liu,Xiaojing Chen,Jiajiu Ye,Zhen Guo,Haiying Zheng
Defect accumulation and nonradiative recombination at the interface of the electron-transport layer (ETL) and the photosensitive layer are inevitable obstacles to efficient and stable perovskite solar cells (PSCs). Herein, we reported a dual-effect interface modification strategy that employs potassium tetrafluoroborate (KBF4) molecules for the simultaneous passivation of the SnO2/perovskite interface and perovskite grain boundaries. The introduced highly electronegative BF4– enriched at the SnO2 surface and the chemical bond interaction between them can effectively reduce the hydroxyl (−OH) group defects on the surface of SnO2, improve electron mobility, and reduce nonradiative recombination. Meanwhile, partial K+ diffuses into the grain boundaries, causing the halogen ions to be uniformly distributed in the perovskite film and resulting in better crystallinity. Therefore, the performance of the experimental device was improved from 20.34 to 22.90% compared with the reference device, with a high electrical performance (JSC = 25.1 mA cm–2, VOC = 1.137 V). In particular, the unencapsulated target PSCs retained 85% of their original PCE after aging for 1000 h under ambient conditions (70 ± 10% RH) in the dark.
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DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2022
·
IF 6.633
Wenfeng Xue,Ronghao Liu,Xiaoxia Liu,Yangyang Wang,Ping Lv,Yanzhao Yang
The development of an environmentally friendly extractant for selective recovery of rare earth elements is critical but still faces significant challenges. Two low viscosity carboxylic acid based ionic liquids [A336][BTA] and [A336][OTA] were synthesized for selective extraction of Nd(III) from waste NdFeB magnets. First, the extraction behaviors of two kinds of ionic liquids were compared under different conditions, such as time, pH value of aqueous phase, dosage of ionic liquids, and concentration of salting-out agent. The optimal extraction condition of [A336][OTA] was optimized by response surface methodology, and the extraction efficiency reached 99.1%. The extraction mechanism was proposed as ion association by UV–Vis spectrum, IR spectrum and 1 H NMR, and was supported from that perspective of quantum chemical calculation. The extraction thermodynamics, kinetics and isothermal model were studied in detail. [A336][OTA] maintained an extraction efficiency of 95.6% even after seven cycles. The extractant shows good selective separation performance in waste NdFeB magnets, and is an extractant with good application prospect. This work has provided an environmentally friendly extractant for the recovery of Nd(III) from waste NdFeB magnets.
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高影响因子
APPLIED CATALYSIS B-ENVIRONMENTAL
·
2022
·
IF 24.319
Yongxing Zhang,Jia Hu,Yong Xu,Xiangyu Yan,Siqi Zhang,Kang Duan,Cheng Chen,Ye Yuan,Francis Verpoort
An unexpected CO 2 -induced dissolution of ZnO into ionic liquids was discovered. This process exhibited high dissolution speed and the dissociated mixture was applied as an efficient Zn-based catalytic system for the CO 2 -promoted hydration of propargylic alcohols under atmospheric pressure with broad substrate scope. Moreover, this system could be recycled and reused for at least 16 times with excellent yields continuously obtained, which is an unprecedented record for this reaction. Significantly, this system could employ waste pigments as the ZnO source and work even under flue gas atmosphere. In the mechanistic investigations, the interaction between ZnO, CO 2 and ionic liquids to give N-heterocyclic carbene/CO 2 adducts proved to be the key factor for this specific dissolution. These adducts were further identified to exhibit better reactivity than the normal CO 2 by experimental data and density functional theory (DFT) calculations, which might be responsible for the excellent performance of the abovementioned catalytic system.
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2021
·
IF 6.165
Kun Yue,Guowei Zhou
Isobaric vapor–liquid equilibrium data for the ternary system of ethyl acetate + ethanol + ionic liquids (ILs) were obtained at 101.3 kPa. The ILs used were 1,3-dimethylimidazolium dimethylphosphate ([MMIM][DMP]) and 1-octyl-3-methylimidazolium hexafluorophosphate ([OMIM][PF 6 ]). The vapor–liquid equilibrium data were correlated using the nonrandom two-liquid model, and the results were well fitted with the experimental data, showing that the minimum concentration (mole fraction) of [MMIM][DMP] and [OMIM][PF 6 ] to break the azeotrope of ethyl acetate + ethanol system was 0.048 and 0.141, respectively. [MMIM][DMP] brought about a monotonous “salting-out” effect on ethyl acetate, while [OMIM][PF 6 ] brought about a crossover effect containing “salting-in” and “salting-out” on ethyl acetate. Finally, polarity of solvents and ions dissociated by ILs was analyzed through the σ-profiles, indicating the mechanism of various separation results using these two ILs. It is suggested that [MMIM][DMP] and [OMIM][PF 6 ] can be used as good candidate entrainers in separating ethyl acetate and ethanol.
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高影响因子
危险品化学品经营许可证（带存储）