MICROCHIMICA ACTA
·
2018
·Vol. 185
·期 9
·1-10
·
IF 5.705
Zhou Xiu-Jie,Zhang Li-Shun,Song Wen-Fang,Huang Yan-Ping,Liu Zhao-Sheng
An inorganic-organic hybrid monolith incorporated with stellated mesoporous silica nanoparticles (SMSNs) was prepared. Using binary solvents, deep eutectic solvents and room temperature ionic liquids, an SMSN-incorporated poly(butyl methacrylate- co -ethylene glycol dimethacrylate) monolith demonstrated uniform structure with good column permeability. A systematic investigation of preparation parameter was performed, including SMSN content, crosslinking monomer content, and the component of binary solvent. The optimized monoliths were characterized by field emission scanning electron microscopy, transmission electron microscopy, area scanning energy dispersive spectrometry, and nitrogen adsorption. Column performance was tested by separating four groups of analytes (alkylbenzenes, anilines, naphthalenes and phenols) by capillary electrochromatography (CEC). Baseline separation of all analytes was obtained with column efficiencies of up to 266,000 plates m −1 . The performance of the resulting monolith was further investigated in detail by separating mixtures of polycyclic aromatic hydrocarbons (PAHs), nonsteroidal antiinflammatory drugs (NSAIDs), and hydroxybenzoic acid isomers. Compared with the corresponding SMSN-free monolith, the CEC performance was improved by about six times. Successful extraction of PAHs and quinolones (QNs) were also performed using this capillary. Improved extraction efficiency (20.2%) for complex samples, lake water, was also found when the material was applied to solid phase microextraction of fluoranthene.
A poly(butyl methacrylate-co-ethylene glycol dimethacrylate) monolith incorporated with stellated mesoporous silica nanoparticles was prepared. It demonstrated column efficiency up to 266,000 plates m −1 in capillary electrochromatography and ability as solid phase microextraction for organic small molecules with good column permeability.
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CHEMICAL ENGINEERING SCIENCE
·
2026
·
IF 5.1
Qi Li,Jie Li,Hongli Chen,Weihua Xing,Jingxian Wang,Yingyun Qiao,Yuanyu Tian
Planarity and solvent‑group electronegativity jointly control DAHs/TAHs selectivity. • DMSO extracts DAHs via spatial compatibility; SUL enriches TAHs by tight stacking. • VDW forces and weak H‑bonds serve as molecular descriptors for arene selectivity. • Competitive extraction and solvation, not binary interactions, govern real separation. The selective separation of dicyclic aromatics (DAHs) and tricyclic aromatics (TAHs) from fluid catalytic cracking (FCC) diesel is critical for upgrading diesel quality and achieving high-value utilization of aromatic components. In this study, sulfolane (SUL), dimethyl sulfoxide (DMSO), and N, N-dimethylformamide (DMF) were adopted as extractants. The extraction performance was first evaluated using real FCC diesel feedstock, and a ternary model system was further established to reveal the intermolecular selectivity mechanism. Liquid-liquid equilibrium (LLE) measurements for the solvent/1-methylnaphthalene/phenanthrene-n-tetradecane ternary systems were performed at 318.15 K and 101.325 kPa. Distribution coefficients and separation factors were calculated to quantify extraction selectivity. The NRTL and UNIQUAC models were employed to correlate the experimental LLE data; the root-mean-square deviations for the regressed binary interaction parameters were all below 0.01, demonstrating satisfactory fitting precision. Combined with quantum chemical calculations including reduced density gradient and electrostatic potential analyses, the solvent-aromatic intermolecular interaction mechanism was illustrated at the molecular scale. Experimental results from real oil samples indicate that DMSO presents superior extraction capacity for DAHs, whereas SUL exhibits better selectivity toward TAHs. The qualitative selectivity trend derived from the LLE model systems agrees well with the separation behavior observed in practical FCC diesel. Quantum chemical results demonstrate that the planarity of aromatic molecules and the electronegativity of functional groups on solvent molecules dominate separation selectivity, and solvent–solute interactions are mainly governed by van der Waals forces and weak hydrogen bonds. This work identifies the inherent limitations of simplified model systems and provides fundamental equilibrium data and molecular-level mechanistic insights for the future development of industrial aromatic separation processes from FCC diesel. Download: Download high-res image (198KB) Download: Download full-size image
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2023
·
IF 4.2
Jingtao Guo,Chao Pan,Bingxiao Feng,Xiaomin Qiu,Quanhong Zhu,Hongbing Song,Hengjun Gai,Meng Xiao,Tingting Huang
Low-rank coal tar contains abundant phenolic compounds. Phenol extraction with ethanolamine is a promising alternative to the traditional method of caustic washing, which can cause serious environmental problems. However, the content of neutral oil, which primarily contains naphthalene compounds, in the phenolic compounds extracted via the ethanolamine method exceeds the Chinese metallurgical industry standard, limiting the industrial application of phenol extraction with ethanolamine. Herein, a conceptual process involving ethanolamine extraction, azeotropic distillation, and crystallization is proposed to reduce the neutral oil content. Naphthalene compounds were effectively separated from phenolic compounds as ethanolamine and naphthalene compounds form the minimum azeotrope. Thereafter, naphthalene compounds were separated from ethanolamine via crystallization. Ultimately, naphthalene compounds and phenolic compounds were simultaneously obtained as products. The separation characteristics of the new process were comprehensively analyzed, and key process parameters were optimized through experiments and simulations. The proposed process can overcome not only the secondary pollution caused by the caustic washing method but also the high neutral oil content of conventional organic solvent extraction methods. Thus, the proposed novel process has good industrial application prospects.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2021
·
IF 2.694
Zenghui Wang,Wenyang Fan,Dongmei Xu,Shanshan He,Huiwen Huang,Jun Gao,Yinglong Wang
Clean utilization of catalytically cracked diesel is of paramount importance in the industry. The separation of polycyclic aromatic hydrocarbons (PAHs) from catalytically cracked diesel can significantly reduce the content of aromatics and increase the cetane number to improve the quality of diesel. In this work, for extracting the PAH 1-methylnaphthalene from the model fluid catalytic cracking diesel, the liquid–liquid equilibrium phase behavior for the quaternary systems (n-decane + 1-tetradecene + 1-methylnaphthalene + sulfolane/dimethyl sulfoxide) were explored at 303.15, 323.15, and 343.15 K under 0.1 MPa. The separation performance was characterized by the separation factor and distribution coefficient. The results showed that sulfolane was a suitable extractant compared to DMSO. The reliability of the measured phase equilibrium data was evaluated by the Hand and Othmer–Tobias equations. The UNIQUAC and NRTL models were applied to fit the tie-line data of the investigated mixtures with the AARD and rmsd lower than 0.01. The intermolecular interaction was explored by the σ-profile analysis to compare the separation performance of sulfolane and DMSO.
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FUEL
·
2021
·
IF 6.609
Antony Rajendran,Hong-Xia Fan,Tian-You Cui,Jie Feng,Wen-Ying Li
Designing an efficient and selective catalyst for the ultra-deep sulfur removal from liquid fuels under mild conditions is vibrant in environmental catalysis. This work reports the preparation of catalysts, i.e., WO x -based active sites generated on SnO 2 , for the sulfur removal from model diesel via biphasic oxidative desulfurization (ODS). The different active species generated on SnO 2 such as monomeric and polymeric WO x species, and crystalline WO 3 are characterized. Besides being the support, SnO 2 adsorbs the sulfur compounds from the oil phase and boosts the ODS performance. No significant change in the ODS activity of WO x @SnO 2 is observed in the presence of intrusive nitrogen and aromatic compounds. The order of ODS activity towards different sulfur compounds is dibenzothiophene (DBT) > 4,6-dimethyl DBT > benzothiophene. While using SnO 2 with a higher surface area (96.5 m 2 /g) instead of that with a lower surface area (19.2 m 2 /g), the formation of highly efficient polymeric WO x species is enhanced. Consequently, the turn over frequency is augmented from 10.99 to 43.23 h −1 , which is closely a 4-fold increase. The polymeric WO x species produced on SnO 2 having the higher surface area are visualized by HAADF-STEM analysis. Scalable preparation and the higher turnover frequency of the present catalyst can develop a promising catalytic system for the ODS.
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FUEL
·
2021
·
IF 6.609
Hong Li,Jiajun Guo,Yuhao Zhang,Liang Zhao,Jinsen Gao,Chunming Xu
Fluid catalytic cracking (FCC) diesel is the main contributor of polycyclic aromatic hydrocarbons (PAHs) in diesel, so reducing the content of PAHs in FCC diesel is of great significance to environmental protection and high-value utilization of FCC diesel. To understand the potential separation of dicyclic aromatic from FCC diesel, dimethyl sulfoxide (DMSO), 2-methoxyethanol (EGME), and N,N-dimethylformamide (DMF) were selected as extracting solvents. The liquid-liquid phase behavior of the dodecane + 1-methylnaphthalene + solvent systems was determined to investigate the solvent extraction ability, the values of S were calculated and the high selectivity of DMSO could be confirmed. Then, the quantum chemical calculation found that the extraction mechanism of DMSO and DMF was weak H-bond and van der Waals (VDW) forces, while that of EGME was only VDW force. Additionally, the structure-activity relationship between solvent molecular structure and solvent selectivity was obtained by combining the experimental results and the quantum chemical calculations, which could provide theoretical guidance for the selection of high separation performance solvents in the future. Finally, the binary interaction parameters of NRTL and UNIQUAC models were obtained with the root-mean-square deviation ( RMSD ) values all less than 0.60%, which provide basic data for the further simulation of aromatics extraction of FCC diesel.
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JOURNAL OF CHROMATOGRAPHY A
·
2019
·
IF 3.858
Jun He,Lining Yu,Xuebin Huang,Meiling Qi
This work presents the investigation of two triptycene-based materials (TP-3OB and TP-3Im) as the stationary phases for gas chromatographic (GC) separations. The TP-3OB and TP-3Im capillary columns fabricated by static coating exhibited column efficiency of 3000–3500 plates/m for n -dodecane at 120 °C. Also, their McReynolds constants and Abraham system constants were determined to characterize their polarity and molecular interactions with analytes. On the basis of the unique 3D TP architecture, the TP-3OB and TP-3Im stationary phases exhibited complementary high-resolution performance for analytes of a wide ranging polarity, including alkylbenzenes , alkylnaphthalenes, halobenzenes, phenols and anilines, respectively. Moreover, the TP-based columns exhibited good repeatability and reproducibility on the retention times of analytes with the relative standard deviation (RSD) values in the range of 0.01–0.14% for run-to-run, 0.11–0.47% for day-to-day and 0.68–4.7% for column-to-column, respectively. Additionally, their applications for the determination of isomer impurities in the commercial reagents of o- dichlorobenzene , p-/m- diethylbenzene, o -toluidine and 2,3 -/ 3,5-xylidine proved their good potential for practical analysis. This work demonstrates the promising future of the triptycene-based stationary phases for chromatographic separations.
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JOURNAL OF CHROMATOGRAPHY A
·
2016
·
IF 3.926
Xiaohong Yang,Changxia Li,Meiling Qi,Liangti Qu
This work presents the separation performance of graphene-ZIF8 (G-Z) composite material as stationary phase for capillary gas chromatography (GC). The G-Z stationary phase achieved high column efficiency of 5000 plates/m determined by n -dodecane ( k = 1.22) at 120 °C and showed weakly polar nature. Importantly, it exhibited high selectivity and resolving capability for branched alkane isomers and aromatic positional isomers, showing clear advantages over the reported neat graphene and ZIF8. In addition, it attained high resolution for geometric cis -/ trans -isomers. The G-Z column exhibited good column thermal stability up to 300 °C and column repeatability with RSD values of retention times in the range of 0.01–0.19% for intra-day, 0.05–0.88% for inter-day and 0.66–5.6% for between-column, respectively, Moreover, the G-Z column was employed for the determination of minor impurity isomers in real reagent samples, which demonstrates its promising potential in GC applications .
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JOURNAL OF CHROMATOGRAPHY A
·
2016
·
IF 3.926
Li-Shun Zhang,Pei-Yao Du,Wen Gu,Qing-Li Zhao,Yan-Ping Huang,Zhao-Sheng Liu
A new lanthanide metal-organic frameworks NKU-1 have successfully incorporated into poly (BMA- co -EDMA) monolith and evaluated by capillary electrochromatography (CEC). Lanthanide metal-organic frameworks [Eu 2 (ABTC) 1.5 (H 2 O) 3 (DMA)] (NKU-1) were synthesized by self-assembly of Eu(III) ions and 3,3′,5,5′-azo benzene tetracarboxylic acid ligands have been fabricated into poly(BMA- co -EDMA) monoliths. 1-Butyl-3-methylimidazolium tetrafluoroborate and N , N -dimethylformamide were developed as binary porogen obtaining homogeneous dispersibility for NKU-1 and high permeability for monolithic column. The successful incorporation of NKU-1 into poly(BMA- co -EDMA) was confirmed and characterized by FT-IR spectra, scanning electron microscopy, X-ray diffraction, energy dispersive spectrometer area scanning, and transmission electron microscopy. Separation ability of the NKU-1-poly (BMA- co -EDMA) monoliths was demonstrated by separating four groups of analytes in CEC, including alkylbenzenes, polycyclic aromatic hydrocarbon, aniline series and naphthyl substitutes. Compared with bare monolithic (column efficiency of 100,000 plates/m), the NKU-1-poly (BMA- co -EDMA) monoliths have displayed greater column efficiency (maximum 210,000 plates/m) and higher permeability, as well as less peak tailing. The results showed that the NKU-1-poly (BMA- co -EDMA) monoliths are promising stationary phases for CEC separations.
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TALANTA
·
2016
·
IF 4.035
Li-Shun Zhang,Qing-Li Zhao,Xin-Xin Li,Xi-Xi Li,Yan-Ping Huang,Zhao-Sheng Liu
A hybrid monolith incorporated with mesoporous molecular sieve MCM-41 of uniform pore structure and high surface area was prepared with binary green porogens in the first time. With a mixture of room temperature ionic liquids and deep eutectic solvents as porogens, MCM-41 was modified with 3-(trimethoxysilyl) propyl methacrylate (γ-MPS) and the resulting MCM-41-MPS was incorporated into poly (BMA-co-EDMA) monoliths covalently. Because of good dispersibility of MCM-41-MPS in the green solvent-based polymerization system, high permeability and homogeneity for the resultant hybrid monolithic columns was achieved. The MCM-41-MPS grafted monolith was characterized by scanning electron microscopy, energy dispersive spectrometer area scanning, transmission electron microscopy, FT-IR spectra and nitrogen adsorption tests. Chromatographic performance of MCM-41-MPS grafted monolith was characterized by separating small molecules in capillary electrochromatography , including phenol series, naphthyl substitutes, aniline series and alkyl benzenes. The maximum column efficiency of MCM-41-MPS grafted monolith reached 209,000 plates/m, which was twice higher than the corresponding MCM-41-MPS free monolith. Moreover, successful separation of non-steroidal anti-inflammatory drugs and polycyclic aromatic hydrocarbons demonstrated the capacity in broad-spectrum application of the MCM-41-MPS incorporated monolith. The results indicated that green synthesis using room temperature ionic liquid and deep eutectic solvents is an effective method to prepare molecular sieve-incorporated monolithic column.
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RESEARCH ON CHEMICAL INTERMEDIATES
·
2017
·Vol. 43
·期 8
·4697-4710
·
IF 1.369
Sun Hao,Huang Xin,Wang Fang,Gu Zhenggui
Selective isomerization of 1-methylnaphthalene was carried out in a fixed-bed reactor over HBEA catalysts modified by acid and tetraethoxysilane treatments, respectively. Catalysts were characterized by X-ray diffraction, NH 3 temperature-programmed desorption, N 2 physisorption, inductively coupled plasma analysis, thermogravimetric analysis and Fourier transform infrared spectrometry after adsorption of pyridine. The results demonstrated that tetraethoxysilane treatment successfully passivated external active sites of the zeolite, but had little effect on the selectivity of isomerization reaction and catalytic stability. Dealumination of HBEA zeolite by treatment with oxalic and hydrochloric acids can lead to higher surface area and pore volume. Sufficiently strong Brönsted acidic sites were found to be responsible for the isomerization activity. Furthermore, a decrease in the number of Lewis acidic sites in acid-modified zeolites were advantageous to suppress the hydride transfer and subsequent side reactions that form coke, leading to higher 2-methylnaphthalene selectivity and longer catalytic life.
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Nature Communications
·
2025
·Vol. 16
·期 1
·1-7
·
IF 15.7
Yao Aiping,Xu Hongliang,Shao Kuizhan,Sun Chunyi,Qin Chao,Wang Xinlong,Su Zhongmin
Soft porous crystals, recognized as the third generation of smart porous materials, can undergo structural deformations in response to external stimuli, such as temperature, pressure, and guest molecules. Currently, the dynamic phase transformations of soft porous crystals are predominantly determined through quantitative modeling based on gas adsorption and powder X-ray diffraction. Herein, we investigate the single-crystal-to-single-crystal structural transformation of covalent organic soft porous crystal modeled on COF-300 and identified nine distinct conformational isomers induced by different guest molecules at room and high temperatures. Notably, COF-300 can maintain its single-crystal structure even at 280 °C and efficiently absorbs polycyclic aromatic hydrocarbons in their molten state. The kinetics of structural transformations among conformational isomers are investigated by combining PXRD and theoretical calculations. The structural transformation from a high-energy state to a low-energy state is a rapid, energetically favorable process, while the reverse transformation is a slow process driven by concentration gradients.
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