GREEN CHEMISTRY
·
2013
·Vol. 15
·期 7
·1941-1948
·
IF 6.828
Dazhen Xiong,Zhiyong Li,Huiyong Wang,Jianji Wang
In many practical processes, separation of aliphatic amines from aromatic amines in water is imperative to obtain the desired products. In this work, a novel strategy was proposed for selective separation of aliphatic amines from aromatic amines with CO2 switchable ionic liquids (ILs) aqueous two-phase systems (ATPSs). It was shown that upon introduction of CO2 into an aqueous solution containing the IL, aliphatic amine and aromatic amine at 25 °C and atmospheric pressure, an ATPS could be formed with an IL-rich top phase and an ammonium-salt-rich bottom phase. Under these circumstances, the aromatic amine was largely partitioned in the IL-rich phase, while the aliphatic amine was transformed into the ammonium salt by the reaction with CO2. Thus the aliphatic amine was well separated from the aromatic amine in aqueous solution. The distribution ratios of aromatic amines between the two phases were found to increase with increasing hydrophobicity of ILs and aromatic amines, pKa values of aliphatic amines and tie-line length of the systems. Moreover, aliphatic amines retained in the ammonium-salt-rich phases were regenerated by bubbling N2 under heating, while aromatic amines in the IL-rich phases were removed by simple steam distillation. The recovery efficiency for aliphatic amines was as high as 99.0%. The regenerated ILs could then be reused in the next separation process, and no decrease in the distribution ratios of aromatic amines was observed after six cycles.
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2026
·
IF 3.9
Fanding Rong,Fuxing Shen,Zexiang Ding,Ping Lu,Liu Yang,Yifeng Cao,Qiwei Yang,Zhiguo Zhang,Qilong Ren,Zongbi Bao
Efficient recovery of value-added compounds from biomass waste represents a sustainable approach to chemical engineering. This study presents an innovative and environmentally benign approach for squalene purification from unsaponifiable soybean oil deodorizer distillate (SODD) waste using biocompatible ionic liquids (ILs) in a liquid–liquid extraction process. Employing a conductor-like screening model for real solvents (COSMO-RS)-guided methodology coupled with a push-and-pull strategy, we systematically screened and identified the optimal biphasic extraction systems. The optimized system utilizing 1 mol % [Ch][CnH2n+1COO] in N-methyl-2-pyrrolidinone achieved exceptional impurity-to-squalene selectivity over 15 while maintaining suitable distribution coefficients. Comprehensive mechanistic investigations through quantum-chemical calculations and nuclear magnetic resonance spectroscopy revealed a hydrogen-bond-dominated separation mechanism. Multistage extraction optimization demonstrated the capability to simultaneously achieve high purity and superior recovery rates of squalene. This research establishes a sustainable, high-performance pathway for valorizing refinery waste streams, offering significant implications for green chemistry and circular economy principles in the biorefinery industry.
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ACS Sustainable Chemistry & Engineering
·
2026
·
IF 7.3
Guanai Qu,Lei Liu,Hongling Fang,Yi Li,Songwei Zhang,Huimin Yang,Litian Hu
In the aerospace industry, many mechanical failures result from friction-related issues, which reduce component lifespans and lead to resource waste. Consequently, effectively reducing friction and achieving ultralow wear under extreme conditions, especially on bearing steels, remain a significant challenge. Currently, lubricants exhibiting high chemical reactivity are commonly employed to generate robust tribofilms on metal surfaces, thereby providing effective protection to the metal substrate. However, these intense friction-induced chemical reactions consume the substrate at the same time. Moreover, such reactive materials frequently cause corrosion, further compromising component durability. To address these issues, this study introduces innovatively a class of low-reactivity halogen-free piperazine-derived protic ionic liquids as neat lubricants. Compared to traditional space liquid lubricants, the synthesis methods of protic ionic liquids do not require high-temperature polymerization, making the preparation process more environmentally friendly and reducing energy consumption. The piperazine-derived protic ionic liquids exhibit noncorrosiveness toward metals and achieve an ultralow wear rate of 3.77 × 10–10 mm3 N–1 m–1. The formation of a mechanically robust interface effectively extends the service life of moving parts in harsh environments. These results highlight the promising application potential of low-reactivity PILs as space lubricants and provide a greener strategy for ultralow wear and corrosion resistance on bearing steel.
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APPLIED SURFACE SCIENCE
·
2026
·
IF 6.6
Shangbin Wen,Dongmei Zeng,Zhongheng Fu,Ruifeng Wang,Minmin Zou,Ting Zhang,You Zhang
Understanding atomic- and molecular-scales interactions at corrosion inhibitor/ metal interface is crucial for developing high-performance protective systems. This study investigates corrosion inhibition mechanisms of three ionic liquids (ILs)- 1-butyl-3-methylimidazolium tetrafluoroborate (BmimBF 4 ), N-butyl-N-methyl pyrrolidinium tetrafluoroborate (BMPBF 4 ), and 1-butyl-3-methylimidazolium chloride (BmimCl) on AZ91 magnesium alloy by integrating electrochemical measurements, surface analysis, and simulations. Density functional theory (DFT)calculations reveal that the superior performance of BmimBF 4 originates from electron transfer from BF 4 − to MgO(100), which compensates for defects in the MgO layer via subsurface electron enrichment, and its contribution is higher than that of adsorption energy. It is found that the optimal concentration of BmimBF 4 (20 mL L −1 ) corresponds to the maximum formation of the bidentate complex [Mg(H 2 O) 2 (BF 2 ) 2 ], which can self-assemble into a continuous protective layer. Molecular dynamics (MD)simulations establish, for the first time, a quantitative relationship between the diffusion coefficient of adsorbed ions and the low-frequency impedance modulus (|Z| 0.01 ), clarifying the mechanism by which molecular mobility regulates interfacial repair ability. This work provides fundamental insights into interfacial inhibition mechanisms and a predictive framework for designing green corrosion inhibitors.
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INDUSTRIAL CROPS AND PRODUCTS
·
2026
·
IF 6.4
Shuang Wang,Yuhan Fang,Lei Diao,Huijie Chen,Zunlai Sheng
A systematic "theory-to-experiment" paradigm integrating COSMO-RS, RSM, and molecular simulation is established for rational design of ionic liquid extraction systems. • [C₃mim]Cl is identified as the optimal solvent, achieving a total flavonoid yield of 8.15 ± 0.13 mg/g - outperforming conventional ethanol reflux by 9.7% with 77% less extraction time. • Multi-scale mechanistic studies (DFT/MD) reveal that synergistic hydrogen bonding, π-π stacking, and electronic interactions drive the enhanced extraction efficiency. • The recyclability of [C₃mim]Cl was demonstrated, and AGREE assessment confirmed its greener profile (0.66 vs. 0.27), supporting its potential as a sustainable alternative for natural product extraction. This study systematically evaluated ionic liquids (ILs) as green solvents for ultrasound-assisted extraction (UAE) of total flavonoids (TF) from Epimedium brevicornu Maxim. ( E. brevicornu ). High-performance liquid chromatography-mass spectrometry (HPLC-MS) and high-performance liquid chromatography (HPLC) analysis revealed that the extract mainly contained two flavonoids: icariin (ICA) and epimedin C (EDC). Therefore, ICA and EDC were selected as representative target compounds. The conductor-like screening model for real solvents (COSMO-RS) was used for theoretical screening. It identified 1-propyl-3-methylimidazolium chloride ([C₃mim]Cl) as the optimal solvent. Subsequent experiments confirmed this prediction, demonstrating the excellent extraction performance of [C₃mim]Cl. Next, single-factor experiments evaluated key parameters affecting flavonoid yield, and response surface methodology (RSM) was employed to optimize the extraction process. Under optimal conditions, the TF yield reached 8.15 ± 0.13 mg/g. HPLC quantification confirmed that ICA and EDC were the principal contributors. Recycling experiments verified the favorable reusability of [C₃mim]Cl, and the AGREE green analytical chemistry index further demonstrated that the established IL-UAE method possesses outstanding greenness and environmental compatibility. To understand the extraction mechanism, molecular dynamics (MD) simulations and density functional theory (DFT) calculations were performed. The results indicated that the enhanced efficiency arises from specific and energetically stable interactions between [C₃mim]Cl and the target flavonoids. This study confirms the feasibility of using ILs for efficient extraction of flavonoids from E. brevicornu , establishes a systematic methodology from theoretical prediction to experimental validation, and provides new insights for developing green extraction technologies for natural products. Download: Download high-res image (152KB) Download: Download full-size image
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JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING
·
2025
·
IF 2.1
Nan Zhang,Yang Qiao,Jinrong Zhang,Pengfei Cui,Xufei Liu
Mining-induced heavy metal pollution poses an urgent ecological challenge. Recently, biochar, especially corn stover biochar (CSB) modified with ionic liquids (ILs) for weak interactions, has shown promise in mine water remediation. In this study, we used charred corn stover as biochar and synthesized 1-methyl-3-[3-(trimethoxysilyl) propyl] imidazolium IL as modifier to create imidazolium-based IL-modified biochar. The chemical structure of the IL and the chemical composition of the biochar were analyzed with the help of 1H NMR and FT-IR. Characterization techniques such as XPS, SEM, and nitrogen adsorption–desorption measurements were employed to investigate the elemental composition, surface morphology, pore size, porosity, and other physicochemical properties of the corn straw biochar. Cd2+ was chosen as the representative of heavy metal ions in mine water, and the adsorption kinetics and isotherm experiments were conducted to study the adsorption performance of CSB on heavy metal ions. The results exhibited that the adsorption performance of IL-modified CSB material (Qe = 48.1000 mg/g) for heavy metals was enhanced to a certain extent compared with that of unmodified CSB material (Qe = 44.0000 mg/g). This provided a foundation for using corn straw biochar to remove heavy metals in mine water.
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PubMed
高影响因子
Journal of Environmental Chemical Engineering
·
2025
·
IF 7.2
Jun Li,Ronghao Liu,Xiaolu Yin,Yanzhao Yang
Two types of ionic liquids, Ethyl 2-(4-methylmorpholin-4-ium-4-yl)acetate bis(trifluoromethanesulfonyl)imide ([EMMi][NTf 2 ]) and Ethyl 6-(4-methylmorpholin-4-ium-4-yl)hexanoate bis(trifluoromethanesulfonyl)imide ([EHMMi][NTf 2 ]), which have exceptional extraction capabilities, were designed and synthesized. A solvent-free extraction system was established. By using only 16 mg of [EMMi][NTf 2 ], controlling the upper critical solution temperature (UCST) temperature to 333 K, and increasing the reaction time to 10 min, the Au(III) extraction efficiency can reach 98.6%. The theoretical calculations provided insight into the potential efficacy of utilizing ionic liquids for the extraction of Au(III), whereas the molecular dynamics simulations revealed the fundamental factors driving this extraction process, primarily attributed to the electrostatic interaction and van der Waals interaction interplay between the cations of the ionic liquid and Au(III). The anion exchange mechanism can be discerned from UV Vis and 13 C-NMR spectra. [EMMi][NTf 2 ] demonstrated an extraction efficiency of 97.31% and effectively extracted Au(III) from the CPU diluent solutions. [EMMi][NTf₂] exhibited remarkable stability (>89% efficiency after 5 cycles) and exceptional profitability (output–input ratio: 2006%), making it a sustainable and economically viable extractant.
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JOM
·
2026
·
IF 2.3
Yang Xue,Zhang Xin,Liu Aimin,Shi Zhongning
Magnesium-lithium alloys have emerged as promising lightweight materials for aerospace applications due to their outstanding specific strength and low density. In this study, an aluminum coating was electrodeposited onto a commercial LA103Z magnesium-lithium alloy using an environmentally friendly aluminum chloride-triethylamine hydrochloride (AlCl 3 -Et 3 NHCl) room-temperature ionic liquid electrolyte to enhance its corrosion resistance. The aluminum coating serves as a protective layer that improves the surface functionality and extends the service life of the magnesium-lithium alloy. The electrodeposition mechanism, surface morphology, microstructure, and corrosion behavior of the aluminum coatings were systematically investigated using scanning electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction, and electrochemical analysis. The results reveal that aluminum electrodeposition in the AlCl 3 -Et 3 NHCl electrolyte follows a three-dimensional instantaneous nucleation mechanism, with the reduction of electroactive Al 2 Cl 7 − ions to metallic aluminum being diffusion-controlled. At a deposition potential of − 0.4 V, the resulting aluminum coating exhibited a smooth, compact, and uniform morphology. However, as the deposition potential shifted to more negative values, the coating surface became rougher, accompanied by crack formation and increased grain size. Furthermore, higher deposition temperatures led to the development of coarser and less uniform grains. The optimal coating performance was achieved at a deposition potential of − 0.4 V and a temperature of 303 K, where the aluminum layer displayed fine grains, low surface roughness, and superior corrosion resistance.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2013
·
IF 3.172
Jingjing Jiao,Bing Han,Meijia Lin,Ni Cheng,Li Yu,Min Liu
A series of salt-free catanionic surface active ionic liquids (SAILs), 1-alkyl-3-methylimidazolim alkyl sulfates (denoted as [C n mim][C m SO 4 ], n = 6, 8, 10; m = 12 and n = 4; m = 10, 14) were synthesized by an ion exchange reaction and their surface properties in aqueous solution were examined systematically by surface tension, fluorescence and electrical conductivity measurements. As catanionic surfactants, these SAILs exhibit notably higher surface activity, compared to the cationic or anionic analogues. Increment in both cationic and anionic alkyl chain lengths for [C n mim][C m SO 4 ] can both improve the amphiphilic character remarkably. This can be ascribed to cooperative interactions as formation of catanionic pairs between alkyl-substituted imidazolium cations and alkyl sulfate anions. The negative micellization Gibbs free energy values prove that the micellization of all the 1-alkyl-3-methylimidazolim alkyl sulfates investigated is a spontaneous process. Any additional CH 2 group makes the micellization process easier regardless if it is on a cation or an anion. When keeping the total carbon atom number constant, we find that the [C n mim][C m SO 4 ] molecules with greater asymmetric alkyl chains display superior surface activity. This work indicates that the self-assembly of these imidazolium-based salt-free catanionic SAILs can be tailored by adjusting the mismatch of alkyl chains. These SAILs are expected to have potential applications in the fields of colloidal and interface and nanomaterial synthesis.
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JOURNAL OF MOLECULAR LIQUIDS
·
2022
·
IF 6.633
Tingting Chen,Tingting Chen,Xiaorong Wu,Yingjie Xu
Six hydroxypyridine anion-based protic ionic liquids (PILs) were synthesized by equimolar proton transfer of hydroxypyridine with superbase 1,8-diazabicyclo-[5,4,0]undec-7-ene (DBU) or 1,1,3,3-tetramethylguanidine (TMG), namely [DBUH][2-OP], [DBUH][3-OP], [DBUH][4-OP], [TMGH][2-OP], [TMGH][3-OP], and [TMGH][4-OP], and their physicochemical properties including density ( ρ ), viscosity ( η ), and speed of sound ( u ) were measured at T = 293.15–343.15 K to derive thermal expansion coefficient ( α p ), activation energy for viscous flow, and isentropic compressibility, respectively. CO 2 absorption behavior of PILs at 313.2 K and 101.3 kPa was determined. Effects of the structure on their physicochemical properties and CO 2 absorption were discussed. The results show that the stronger electrostatic interaction and hydrogen bonding originated from the cations with cyclic structure and the anions with long distance between O − and N lead to the lager ρ , η , and u , exhibiting the sequence of [4-OP] − > [3-OP] − > [2-OP] − and [DBUH] + > [TMGH] + . While CO 2 capture behavior of PILs mainly depends on η , α p and the alkalinity, which are related to the position of O − in anions. When O − appears in the ortho position of N atom, PILs with [2-OP] − have larger free volumes, stronger alkalinity, and lower η , showing excellent carbon capture performance. Additionally, absorption mechanism proved by NMR and FT-IR spectra demonstrates that CO 2 can chemically interact with O − in anion to form the carbonate. In comparison, [DBUH][2-OP] is a good candidate for efficient CO 2 capture. Accordingly, physicochemical properties and CO 2 absorption behavior of can be efficiently regulated by tuning their structure, especially the position of O − in the anions.
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ANALYTICA CHIMICA ACTA
·
2017
·
IF 4.95
Datong Wu,Qiuhong Yin,Pengfei Cai,Xiaoyong Zhao,Yuanjiang Pan
Novel task-specific ionic liquids derived from (S)-phenyl amino acid were prepared as a chiral sensor for the first time. It was found that the ionic liquids exhibited different chiral visual responses to the enantiomers . When (S)-tryptophan was treated with the sensor and Cu(II) in water, the clear solution would change to a sapphire suspension. Differently, another enantiomer could not produce the precipitate. Furthermore, the enantiomers could generate different colors in DMSO under the same conditions. The substantial difference contributes to the easy discrimination with visual determination. Four racemates were successfully tested with this strategy. The precipitation was isolated in the range of 90–94% yields after complete formation of the coordinative bonds, which could be as a simple way for enantioseparation. The responsive mechanism of the sensor was studied by NMR spectroscopy , FTIR and SEM . UV-vis spectrophotometer was used to monitor the colorimetric signal of the racemate with different e.e. values.
研究领域:
分析化学
·
有机化学
·
超分子化学
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药物化学
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化学生物学
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材料科学
·
分子识别
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
·
2016
·Vol. 18
·期 29
·19731-19737
·
IF 4.449
Yingna Cui,Jingmei Yin,Changping Li,Shenmin Li,Ailing Wang,Guang Yang,Yingping Jia
The compositions and structures of amine-based functionalized protic ionic liquids (PILs), namely N,N-dimethyl(cyanoethyl)ammonium propionate (DMCEAP) and N,N-dimethyl(hydroxyethyl)ammonium propionate (DMEOAP) have been investigated systematically by IR and 1H NMR spectroscopy and density functional theory (DFT) calculations. Analysis of the IR spectra suggests that both DMCEAP and DMEOAP are composed of neutral and ionized species in the liquid phase, the former one mainly existing in the state of precursor molecules, and the latter mainly as ion-pairs. The ratio of precursor molecules to ion-pairs in the liquid phase depends on the types of precursors, especially the functional groups of cations. 1H NMR spectra indicate that there is a dynamic equilibrium between the neutral and ionized species, probably due to the formation of some intermediates in the PILs. The DFT calculations have been carried out to reveal the conformation, and obtain the corresponding IR and 1H NMR spectra of the neutral and ionized species, so that the theoretical support to the experimental results can be provided. The present study will help understand the properties of PILs and provide guidance for further applications of PILs.
研究领域:
物理化学
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离子液体化学
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光谱学
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理论化学
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分析化学
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材料化学
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