AICHE JOURNAL
·
2026
·
IF 4.4
Xinyu Liu,Jinrui Zhang,Wenxiang Qiu,Xinyu Shi,Chunyan Dai,Peiwen Wu,Hongping Li,Wenshuai Zhu,Huaming Li
Conventional hydrodesulfurization is ineffective against refractory thiophenic compounds, making ionic liquids (ILs) attractive for extractive desulfurization (EDS) despite their vast chemical space. Here, an end-to-end design framework was established using a database of 244 EDS records. Among five machine learning models, the multilayer perceptron showed superior external generalization for structurally distinct ILs. SHAP analysis and quantum chemical calculations revealed that cationic features and π-stacking interactions dominate desulfurization performance. Guided by these insights, IL structures were directionally optimized and experimentally validated. The two newly designed ILs showed strong agreement with model predictions, demonstrating the reliability of the proposed data-driven design strategy. This work provides an extensible framework for accelerating the discovery of efficient solvents.
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高影响因子
POLYMER
·
2026
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IF 5.1
Chuan-Jun Yue,Zhen-Wei Zhang,Yang Yang,Yue Wu
Formulating effective strategies for the degradation of polyethylene (PE), a principal constituent of recalcitrant plastic waste, is vital for both scientific advancement and environmental preservation. Herein, a series of aluminum-pyridine ionic liquids were synthesized and employed for the catalytic degradation of PE under mild conditions. The structures and thermal properties of the catalysts were characterized by 1 H NMR, FT-IR, ICP, and TG. The effects of temperature and reaction time on degradation performance were systematically investigated. The results indicate that the unsubstituted pyridine-aluminum ionic liquid exhibited optimal catalytic activity. Under optimized conditions (37 °C, 150 min), the conversion of medium-density polyethylene reached 45.7%, with selectivities of 33.4% for isoalkanes and 24.4% for isodecanes. Furthermore, a plausible carbocation mechanism was proposed to elucidate the reaction pathway. This study provides fundamental insights for addressing the environmental challenges posed by PE waste.
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高影响因子
TRIBOLOGY INTERNATIONAL
·
2026
·
IF 7.6
Chunlin Ye,Guanai Qu,Songwei Zhang,Yi Li,Lei Liu,Litian Hu
Polyurea grease with excellent high-temperature tolerance and lubrication properties is expected to satisfy the service requirements of advanced equipment in high-temperature harsh conditions, but it is still restricted by the insufficient high-temperature anti-wear performance. Currently, TCP as commercial additive exhibits good high-temperature anti-wear properties, which requires 3% or higher addition amount, and it also has obvious neurotoxicity. Two novel diphenyl phosphate ionic liquids (ILs) were reported in this study, and their rheological behavior and high-temperature frictional properties were systematically evaluated in polyurea grease. Rheological analyses confirmed that the addition of ILs preserved the physicochemical integrity of base grease, while markedly improving its thixotropic characteristics. Tribological assessments demonstrated that even at a minimal additive content of 0.2% could also reduce the friction coefficient of base grease by 37.5% and the wear scar diameter by 66%, which was comparable to 15 times the addition amount of TCP (3%). Furthermore, Surface analysis employing scanning electron microscopy and other methods demonstrated that the excellent anti-wear and friction-reducing performances of ILs was attributed to the frictional chemical reaction films of iron phosphate, organic substances, and IL adsorption layers. The present study proposes solutions and technical routes for significantly diminishing or substituting TCP as a high-temperature lubricating additives.
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2023
·
IF 6
Hanxiang Chen,Shuting Hou,Haoyuan Cui,Chao Wang,Ming Zhang,Hongping Li,Hui Xu,Jiqing Wu,Wenshuai Zhu
Interfacial properties of catalysts and distribution of active sites affect the catalytic oxidative desulfurization activity, which has become the research focus in recent years. Towards desulfurization in fuel, a kind of amphiphilic and polyoxometalate poly(ionic liquids) was prepared by the cross-linking copolymerization and ion exchange reaction. The resulting samples characterized in detail were employed in the oxidation of refractory aromatic sulfur-containing compounds. With H 2 O 2 as the oxidant, the sample p-C 2 VIM-DVB-2-PMo exhibited enhanced desulfurization performance and good thermal stability, meeting the demand of deep desulfurization. Besides, no significant decrease on sulfur removal was observed after recycling for 8 times. Moreover, density functional theory calculations were employed to investigate the adsorption strength and interaction nature between the cation and typical sulfide.
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高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2022
·
IF 9.136
Xueqi Sun,Guilin Li,Shaojuan Zeng,Lei Yuan,Lu Bai,Xiangping Zhang
Ionic liquids (ILs) are considered as prospective absorbents for NH 3 separation and purification owing to extremely low vapor pressure, great affinity and structural tunability. Up to date, versatile ILs for NH 3 absorption have been developed, but NH 3 mass capacity of all the reported ILs or IL-based absorbents are still not comparable to that of traditional water absorbent. How to simultaneously improve NH 3 mass capacity, selectivity and keep stable reversibility using IL absorbents is still a great challenge. In this work, the triazole cation-functionalized ionic liquids (TCFILs) by introducing multiple protic H sites into N -heterocyclic cations were firstly designed and synthesized for enhancing NH 3 absorption. These TCFILs showed superhigh NH 3 mass capacity up to 0.365 g NH 3 /g IL at 30 °C and 1 bar, which is the maximum among the reported absorbents, and is even comparable to that of traditional water absorbent used in industrial. Moreover, the TCFILs also exhibited excellent selectivity of NH 3 /CO 2 up to 182 and recycling stability. Such great comprehensive performances of NH 3 absorption and separation were proved to originate from multiple hydrogen bonding between NH 3 and protic hydrogens of the TCFIL cations. Therefore, this work will provide useful guidance to design competitive functionalized ILs for efficient and reversible absorption of NH 3 .
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高影响因子
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
·
2023
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IF 5.2
Han Jia,Haidong Jia,Qiuxia Wang,Hui Yan,Xu Li,Bowen Wang,Shaoyan Wang,Yuanbo Wang,Qiuyu Xie,Lin Song,Kaihe Lv,Pan Huang
Ionic liquids (ILs) are incredibly efficient additives to solve wellbore instability resulting from shale hydration. The influence of the molecular structure of ILs on their inhibition performance has been investigated intensively, and hydroxyl is regarded as the significant group to improve their inhibition performances. In this study, three novel dihydroxyl ionic liquids (DHILs) including [C 4 DIPA]Br, [C 8 DIPA]Br, and [C 12 DIPA]Br were successfully synthesized. Then their thixotropy and inhibition properties were evaluated via three-interval thixotropy tests (3ITTs), hot-rolling recovery tests, immersion tests, and linear swelling tests. [C 12 DIPA]Br exhibited the optimal inhibition ability at a low concentration (0.5 wt%) and was more effective than the conventional inhibitor KCl (2 wt%). Various techniques were used to analyze the inhibition mechanism of DHILs including contact angle measurements, zeta potential , X-ray diffraction, and Flourier transform infrared spectroscopy . The results demonstrated that the synergistic effects of hydrogen bonding , electrostatic interaction, and hydrophobic shield should be responsible for the excellent inhibition performance and great thermal stability of [C 12 DIPA]Br. Finally, the proposed mechanism was supported by the control experiments using other three ILs inhibitors and molecular dynamics simulation . Our work provided unique perspectives on developing rationally designed and efficient ILs inhibitors.
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高影响因子
TRIBOLOGY INTERNATIONAL
·
2023
·
IF 6.2
Huanyi Chen,Tao Cai,Hua Li,Xinxin Ruan,Chengcheng Jiao,Rob Atkin,Yandong Wang,Ping Gong,Xiangyang Zhou,Jinhong Yu,Nan Jiang
A series of polymer-based ionic liquids (PILs) with a flexible and electron-rich polymeric chain attached to the cation have been designed as lubricants for steel-steel systems. Compared to widely used poly-alpha olefin (PAO) and commercial lubricants, the PIL lubricants show noticeably lower friction and better surface protection. Notably, for the PIL, ionic liquids based on 2, 5-furandicarboxylic acid (FA-IL), macroscale superlubricity is achieved immediately (without a running-in period) when the temperature is 75 °C and higher. Surface characterizations and molecular dynamics simulations show superlubricity results from the robust lubricating film immediately formed at the steel surface due to the rapid adsorption of FA-IL ions via multiple sites. This work provides new insights into the design of macroscale superlubricity systems.
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高影响因子
ACS Sustainable Chemistry & Engineering
·
2022
·
IF 9.224
Dan Ding,Zhensheng Shen,Tian Ma,Yabo Sun,Menghan Shi,Tao Lu,Bin Wu,Rafael Luque,Yingqiang Sun
Ionic liquid (IL)-catalyzed in situ transesterification (IST) of wet algae is a promising strategy for energy-efficient biodiesel production owing to the dual roles of ILs as both solvents of the cell wall and catalysts of transesterification, while their variations and interactions within different water contents, which subsequently affect biodiesel production, are still out of knowledge. Accordingly, the variations of fatty acid methyl ester (FAME) yields and cellulose solubilities of [Bmim][HSO4], [Bmim][H2PO4], and [Bmim]2[HPO4] under different water conditions are experimentally and theoretically studied. Results indicate that [Bmim][HSO4], [Bmim][H2PO4], and [Bmim]2[HPO4] are acid, weak alkaline, and strong alkaline catalysts of transesterification of lipid with methanol, respectively. FAME yields of both [Bmim][HSO4]- and [Bmim][H2PO4]-catalyzed reactions increase initially with the addition of 1.5 g of water, while they decrease with the increase of water content because of the consequent decline of the nucleophilic index and electrophilic index of the OH groups of [Bmim][HSO4] and [Bmim][H2PO4], respectively. Analogously, slight decreases of FAME yields of [Bmim]2[HPO4]-catalyzed transesterification are observed within 0.0–3.0 g of water, while a notable decrease is presented when 6.0 g of water is added. Contrary to the variation of catalytic properties, the cellulose solubilities of [Bmim][HSO4], [Bmim][H2PO4], and [Bmim]2[HPO4] all decrease with the addition of 1.5 g of water, as the water molecules occupy the H-bonding sites of [Bmim][HSO4]–cellobiose (clb), while the H-bonding interactions of water–clb and water–[Bmim][H2PO4] formed by shared oxygen atoms are enhanced with the increase of water content, subsequently enhancing the H-bonding interactions of ILs–clb and relative cellulose solubilities. The variations of cellulose solubilities of ILs with the addition of 0.0–6.0 g of water are opposite to those of their catalytic properties. This study indicates that the cellulose solubilities and catalytic properties of [Bmim][HSO4], [Bmim][H2PO4], and [Bmim]2[HPO4] compete with each other under different water conditions, providing a potential strategy to offset the negative effect of water content on IST of wet algae.
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高影响因子
JOURNAL OF CATALYSIS
·
2022
·
IF 8.047
Balaji Panchal,Yongjing Hao,Zhibin Han,Tao Chang,Zheng Zhu,Xionglei Wang,Shenjun Qin
Herein, fatty acid esters were synthesized cost-effectively from various fatty acids using reusable lipase (L) immobilized with novel porous ionic polymer (PIP) ( l –PIP). The functionalized mesoporous PIP was synthesized through Friedel–Crafts alkylation reaction of 1, 4-bis(bromomethyl) benzene in the presence of ferric chloride as catalyst, and lipase was completely immobilized with PIP at varied time, forming l –PIP–6 H , l –PIP–12 H , l –PIP–18 H , l –PIP–24 H , l –PIP–30 H , and l –PIP–36 H , which were applied in ester production. l –PIP–30 H was characterized using FT–IR, SEM, XPS, solid–state 13 C NMR, and N 2 adsorption–desorption isotherms. The conversion of oleic acid reached 88.21 % under optimized conditions (12:1 ethanol/oleic acid molar ratio after 5 h at 45 °C with 250 wt% catalyst at 300 rpm). The stability and reusability of l –PIP–30 H were demonstrated by the sustained catalytic efficiency for at least six reaction cycles. Good catalytic activity during the esterification of various free fatty acids with ethanol was observed. This cost–efficient and effective lipase–immobilized PIP catalyst may have positive economic and environmental repercussions to inspire further academic and industrial research on biodiesel.
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高影响因子
JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY
·
2022
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IF 2.042
Xiujie Chang,Zhaodong Wang,Xueshu Li,Shujin Ge,Aixiang Li,Yanfei Ma,Qiuhong Li
The surface-active ILs [C16mim]Cl synthesized by combining imidazole group (C4H6N2) and 1-chlorohexadecane (C16H33Cl) was used as surfactant to prepare ILs microemulsions for sludge treatment. Meanwhile, the treatment conditions were optimized and the optimal conditions were obtained. Due to the strong interaction between ILs and asphaltenes as well as the solubilization of microemulsions, the residual oil rate of oily sludge decreased to 1.33%. The characterization of oily sludge was performed by scanning electron microscope (SEM), fourier transform infrared spectroscopy (FTIR) and contact angle measurement. Results showed that [C16mim]Cl ILs microemulsions treatment could effectively promoted the desorption of asphaltenes from the surface of sludge solids, which provided a clear understanding of the mechanism for ILs microemulsions-enhanced oily sludge recovery.
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高影响因子
JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
·
2022
·Vol. 98
·期 1
·204-212
·
IF 3.709
Xin Guo,ChunXiao Ren,Siqi Jiang,Jisheng Li,Shuai Zhang,Yichuan Wang,Weiting Ma,Ye Yang,Chenglong Ma,Zhiyong Su,Zhiyuan Wang,Yufeng Hu,Zhichang Liu
BACKGROUND Recent works have shown how to develop methods with specific economic and environmental aspects; this is the main motivation for research on energy efficient processes and environmentally friendly materials for formaldehyde (HCHO) storage. One specific goal is to improve the adsorption capacity for HCHO by constructing closely contacted connections with absorbents. RESULTS In this study, two ionic liquids (ILs), 1-methylimidazole hydrogen sulfate [MIM][HSO 4 ] and Imidazole hydrogen sulfate [IM][HSO4] as newly developed absorbents for HCHO storage are applied for the first time. Based on thermogravimetric analysis (TGA) and nuclear magnetic resonance (NMR) results, it is concluded that their exceptional capacity for storage of HCHO is 31.07 and 34.60 (g formaldehyde)⋅(mol ionic liquid) −1 , respectively. In addition, to study the renewability of HCHO, the decomposition rates of the reaction products (as a function of decomposition time and decomposition temperature) were measured. The optimal kinetic model was selected to satisfy the formation and decomposition processes of the products. Thereafter, the activation energy ( E ), pre-finger factor ( A ), decomposition rate constant of the decomposition reaction, and the rate constant of the reaction were determined. NMR results confirmed that the higher storage capacity of HCHO in [MIM][HSO 4 ] and [IM][HSO 4 ] is mostly attributed to the stronger covalent bonds between the ionic liquids (ILs) and HCHO. CONCLUSION These ILs are, thus, promising candidates as adsorbents for the design of air depollution processes. This study may provide new insights into the use of ILs for storage of HCHO for low-cost, high-performance, and environmentally benign adsorbents for indoor air purification. © 2022 Society of Chemical Industry (SCI).
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JOURNAL OF MOLECULAR LIQUIDS
·
2022
·
IF 6.633
Yuanchao Pei,Wanjun Zhang,Yaxin Zhang,Jie Ma,Yang Zhao,Zhiyong Li,Jianji Wang,Ran Du
How to design thermal-responsive functional ionic liquids that can respond in a reversible manner still remains a challenge for the construction of ionic liquid-based smart systems, and they easily find applications in various scientific fields, including phase transfer catalysis, smart soft materials, controlled drug delivery and green separation. In this work, a series of PEGylated ionic liquids were prepared, and their structures were confirmed by NMR and FTIR spectra. The thermal properties of these ionic liquids were characterized by DSC and TGA. In addition, their physicochemical properties were measured in detail, including density and viscosity. Different models were used to fit the density and viscosity data. The critical micelle concentrations of the Aerosol OT-based PEGylated ionic liquids were also determined by the surface tension method, and they exhibited good surface activity. Furthermore, these PEGylated ionic liquids exhibit typical low critical solution temperature phase behavior. To illuminate the underlying mechanism of thermal-induced phase separation, temperature-dependent FTIR spectra were used to analyze the interaction between ionic liquids and water molecules. Finally, the thermally regulated PEGylated IL phase separation system was proposed as an efficient strategy to separate heavy metal ions and rare earth metal ions from water media. The results presented here offer key information to design new thermoresponsive ionic liquids and their applications.
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高影响因子
危险品化学品经营许可证（带存储）