CHEMICAL ENGINEERING JOURNAL
·
2015
·
IF 4.321
Yajie Qian,Xuefei Zhou,Yalei Zhang,Peizhe Sun,Weixian Zhang,Jiabin Chen,Xin Guo,Xiao Zhang
Calcium peroxide (CP) combined persulfate (PS) oxidation is an emerging in situ chemical oxidation (ISCO) technology for ground water remediation. Many field cases also confirm its effectiveness in ground water remediation while few research articles document it. This study investigated the performance of α-methylnaphthalene (MN) degradation by PS/CP to further understand this dual oxidant application in ISCO. Results showed that MN could be completely oxidized in 72 h with 1 g L −1 PS and 1 g L −1 CP. The degradation rates of MN increased with the increase of PS and CP concentration. MN degradation was significantly enhanced with the solution pH decrease, because CP was easier to dissolve and generated more radicals in acidic condition. Solutes in ground water including chloride ions, alkalinity and natural organic matters presented inhibitory effect on MN degradation in this dual oxidant system. Plausible mechanisms of the sulfate and hydroxyl radicals in the system were proposed based on the results of radical scavenging experiments and electron spin resonance (ESR) tests. It appeared that surface OH of CP was also responsible for the MN removal. The major oxidation products in this study were 1-naphthaldehdye, naphthalene-1-ylmethanol and 4-hydroxy-4-methylnaphthalen-1(4H)-one. To better understand PS/CP in ISCO, the degradation of MN was tested in ground water matrix, which showed satisfactory efficiency. The results of this study provided some detail information of PS/CP dual oxidant in degradation organic contaminants, which might provide some references for the application of this technology in ISCO.
研究领域:
环境工程
·
环境化学
·
污染控制
·
土壤与地下水修复
·
高级氧化技术
✓ 已验证
DOI
高影响因子
Food Analytical Methods
·
2026
·Vol. 19
·期 1
·61
·
IF 3
Huang Lei,Zhang Qiaoling,Zhao Yiwei,Ye Xilei,Chen Huaixia,Dang Xueping
In this study, the Cu 7 Mn 2 bimetallic cluster was synthesized via a solvothermal method using copper (II) chloride dihydrate (CuCl 2 ·2H 2 O) and manganese (II) chloride tetrahydrate (MnCl 2 ·4H 2 O) as the metal centers, and 1,2-cyclohexanediamine-N,N′-bis-(3-carboxylsalicylide) as the ligand. Subsequently, the Cu 7 Mn 2 bimetallic cluster fiber coating was prepared using a physical coating method and applied for the solid phase microextraction (SPME) of 7 polycyclic aromatic hydrocarbons (PAHs). The coating was characterized by Fourier transform infrared spectroscopy, scanning electron microscopy, energy dispersive X-ray spectroscopy, thermogravimetric analysis, and contact angle measurement. Based on adsorption isotherms and density functional theory (DFT) calculation, the adsorption mechanism was speculated to be hydrophobic interaction, π-π stacking, and N − H···π interaction. The coating exhibited higher extraction efficiency for 7 PAHs than the Cu cluster, Mn cluster, commercial PDMS, and PDMS/CAR fiber coatings. Under the optimized extraction conditions, an SPME-HPLC method was developed for the determination of 7 PAHs in corn oil, sesame oil, blended oil, and rapeseed oil. The linear ranges of the method were 1.0 − 1000 µg·kg –1 for naphthalene, 0.1 − 1000 µg·kg –1 for anthracene, phenanthrene, and pyrene, 3.0 − 1000 µg·kg –1 for fluorene, 0.3 − 1000 µg·kg –1 for fluoranthene, and 1.5 − 1000 µg·kg –1 for 1-methylnaphthalene ( R 2 > 0.99), respectively. The limits of detection (LODs, S/N = 3) and the limits of quantitation (LOQs, S/N = 10) were in the ranges of 0.030 − 1.0 µg·kg –1 and 0.10 − 3.0 µg·kg –1 , respectively. The precisions (RSDs) were less than 10.0% and the recoveries were in the range of 82.9 − 115.2%. These results demonstrate that the Cu 7 Mn 2 bimetallic cluster coating is an effective SPME adsorbent for separation and sensitive determination of PAHs in edible oils. Graphical
✓ 已验证
产品关联
DOI
高影响因子
Journal of Environmental Chemical Engineering
·
2026
·Vol. 14
·期 5
·123755
·
IF 7.5
Huiyi Ye,Zhancheng Fan,Wei Ding,Yu Chang,Dayi Deng
Coal tar dense non-aqueous phase liquids (DNAPLs), widespread legacy contaminants at former industrial sites, pose significant environmental challenges due to high viscosity and persistent polycyclic aromatic hydrocarbons (PAHs) content. Conventional cosolvent flushing is hampered by solvent volatility, flammability, and recycling difficulties. We therefore developed a closed-loop system integrating ionic liquid (IL) flushing, electrical resistance heating (ERH), and activated carbon (AC) regeneration. Batch tests showed that 60% v/v 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF 4 ]) mobilized coal tar and solubilized > 60% of total PAH (ΣPAH) within 12 h at ambient temperature. Density functional theory calculations confirmed strong π–π stacking between [BMIM]⁺ and PAHs (e.g., interaction energy (ΔE) = –45.1 kJ/mol for phenanthrene). AC rapidly adsorbed PAHs from [BMIM][BF 4 ] solution with even greater affinity (ΔE = –59.1 kJ/mol for phenanthrene), enabling efficient IL regeneration. Column studies demonstrated enhanced ΣPAH removal at elevated temperature (93.6% at 60 °C vs. 76.8% at 20 °C within 2 h); this is particularly critical for the removal of high-molecular-weight PAHs (HMW PAH), attributed to a reduction in coal tar viscosity that promotes mobilization and intra-tar diffusion. A 2D sand tank experiment demonstrated 93.2% ΣPAH removal at 80 °C within 5 h under continuous AC regeneration and ERH-enhanced circular IL flushing. This innovative IL-ERH-AC system offers a safe, sustainable, and efficient solution for recalcitrant coal tar DNAPL remediation.
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF HAZARDOUS MATERIALS
·
2026
·
IF 10.6
Ruomu Chen,Yumeng Niu,Nan Li,Jingrui Peng,Ziqian Xia,Chenyang Wang,Jiandong Jiang,Kai Chen
Nitro-polycyclic aromatic hydrocarbons (nitro-PAHs) are toxic and persistent environmental contaminants of increasing concern because of their widespread occurrence and ecological risks. Nitronaphthalene, a representative nitro-PAH, occurs as positional isomers, yet microbial degradation studies have mainly focused on 1-nitronaphthalene (1-NN), leaving the basis for biodegradation of 2-nitronaphthalene (2-NN) largely unresolved. In this study, Burkholderia pseudomultivorans M3 was isolated from river sediment in Anhui Province, China, and was found to efficiently degrade both 1-NN and 2-NN, indicating an expanded degradation range for nitronaphthalene isomers. Genome analysis identified a novel nitronaphthalene degradation gene cluster ( nnd ) that is phylogenetically related to reported nin - and nag -type gene clusters but differs functionally from both. Gene knockout and complementation experiments demonstrated that nndAc , encoding the catalytic α-subunit of a Rieske-type dioxygenase, is essential for degradation of both isomers. Heterologous expression and metabolite identification further showed that the NndAB system transforms 1-NN and 2-NN into 1,2-dihydroxynaphthalene via the corresponding nitro-dihydrodiol intermediates, with concomitant nitrite release. Site-directed mutagenesis revealed that the ability of NndAc depends on the coordinated effects of multiple active-site residues, with F200 being particularly important for 2-NN transformation. Moreover, strain M3 maintained substantial removal efficiency in synthetic wastewater containing mixed nitro-, carboxyl-, and hydroxyl-substituted naphthalene compounds, supporting its applicability in complex contaminated matrices. These findings reveal the molecular basis underlying the broadened substrate range of nitronaphthalene degradation and highlight the potential of strain M3 for remediation of wastewater containing mixed substituted naphthalene pollutants.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ENERGY & FUELS
·
2025
·
IF 5.3
Mengna Xu,Weikang Gao,Chuanlei Liu,Peng Wei,Hui Sun
Selective separation of high-value bicyclic aromatic hydrocarbons (BAHs) from complex hydrocarbon mixtures is essential for enhancing the product value and utilization efficiency of the energy industry. Although COSMO-RS facilitates high-throughput screening of ionic liquids (ILs), the absence of a robust structure–performance relationship (SPR) limits the molecular-level design for separating weakly polar, structurally similar hydrocarbons. In this work, 1-ethyl-3-methylbenzimidazolium bis(trifluoromethylsulfonyl)imide ([EMBzIM][TF2N]) was identified as a promising extractant via COSMO-RS solubility predictions. Its extraction performance was systematically evaluated using liquid–liquid equilibrium experiments with both a representative four-component model oil and real hydrocarbon samples. The results indicate that [EMBzIM][TF2N] exhibits superior performance, achieving the highest distribution coefficient (0.5051) and selectivity (204.70) for aromatics at an aromatic concentration of 10 wt %. Furthermore, it demonstrated a stable extraction efficiency and facile regeneration over five consecutive cycles. Molecular polarity index calculations, interaction energy analysis, visualization of weak intermolecular interactions, and 1H NMR characterizations were employed to elucidate the molecular-level mechanism for this performance. The van der Waals interactions, significantly enhanced by the extended π-conjugation of the benzimidazolium cation, predominantly govern the extraction of aromatics. This study establishes a rational design strategy for ILs, integrating a COSMO-RS thermodynamic prediction with chemically interpretable SPR to achieve efficient separation of BAHs from hydrocarbon streams.
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2022
·
IF 9.231
Yun-Jiao Ma,Tao Zhou,Wei Jiang,Bei-Wei Zhu,Ming Du,Xian-Bing Xu
Although the compound profiles in extracts are linked to the solid-phase microextraction (SPME) position (headspace or liquid), a theoretical interpretation of this scenario has not yet been provided. In this study, the dynamic linked position unity (DLPU)-SPME is proposed as a method that allows balanced extraction of volatile and semi-volatile compounds. Furthermore, the pH, temperature, and salt were confirmed as the key factors affecting the extraction efficiency of DLPU-SPME. Theoretical calculations indicated that K fs 0 K fs is a key factor directly indicating the SPME extraction position ( K fs 0 K fs > 1, headspace; K fs 0 K fs = 1, any position; K fs 0 K fs < 1, in liquid), while the target analytes determined that V h K hs + V s V e K fh K hs regulates the effect of the extraction position on the extracted amount. The proposed DLPU-SPME method containing both extraction positions (i.e., headspace and liquid) can simultaneously extract volatile and semi-volatile compounds, thus avoiding extraction bias.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FUEL PROCESSING TECHNOLOGY
·
2022
·
IF 8.129
Wang Li,Wen-Ying Li,Xing-Bao Wang,Jie Feng
During direct coal liquefaction , selective C al –O bond cleavage is critical for phenol production. In this study, anisole and benzyl phenyl ether were chosen as the oxygen-containing model compounds. Radical-induced sites of benzyl phenyl ether were investigated using the Fukui function and energy barrier calculation. The promotion routes of the C al –O bond cleavage in anisole and benzyl phenyl ether by radicals were illustrated. The formation of o -benzyl phenol was regarded as a sign of benzyl radical-induced pyrolysis based on the most optimal path. The competitive process between the optimal path and β-bond scission path was analyzed from the rate constant perspective. Radical-induced pyrolysis made remarkable differences in product selectivity for benzyl phenyl ether. Similarly, the cleavage of the C al –C al bond can also be promoted using two methods of radical induction, which is referred to as a radical chain process. In contrast to benzyl phenyl ethers, the induced pyrolysis of the C al –C al bond in bibenzyl is more likely to occur via β-bond scission after the H of CH 2 is abstracted by a radical. The findings of this research would provide a theoretical foundation for comprehending the radical mechanism of direct coal liquefaction.
✓ 已验证
产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2023
·
IF 8.6
Hongye Cheng,Guojin Zhang,Yaxi Zhang,Zhen Song,Zhiwen Qi
Unravelling solute effect on extractive separation of aromatics and alkanes is highly required toward its rational incorporation into economical upgrading of light cycle oil (LCO). This work systematically examines the effect of aromatic and alkane structures on extraction performance from experimental and theoretical perspectives. Liquid-liquid extraction experiments demonstrate that the distribution coefficient and extraction efficiency strongly depend on the aromatic structure, whereas the selectivity and theoretical purity of aromatics significantly rely on the alkane structure. The extraction mechanism is elucidated from interaction strength and interfacial thickness analysis using molecular dynamics simulation. The diaromatics of 1-methylnaphthalene has stronger affinity to deep eutectic solvent (DES) than the monoaromatics of tetralin, while longer alkyl-chain in hexadecane enhances its repulsive interaction with DES than dodecane. Extraction process simulation was then carried out with well-regressed parameters of NRTL thermodynamic model. Process simulation confirms that a high extraction performance can be achieved for model LCO containing more diaromatics. Therefore, it is preferable to incorporate aromatics-alkanes extractive separation into the pre-hydrotreating step of LCO upgrading process.
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MEMBRANE SCIENCE
·
2022
·
IF 10.53
Wei Ting Gao,Xue Lang Gao,Wei Wei Gou,Jia Jun Wang,Zhi Hong Cai,Qiu Gen Zhang,Ai Mei Zhu,Qing Lin Liu
The development of high-performance anion exchange membranes (AEMs) has become more urgent for fuel cells. One of the critical challenges is to prepare AEMs with sufficient ion conductivity and robust alkaline endurance. In this work, bulky twisted binaphthyl units are introduced into the backbones of AEMs by a one-pot superacid-catalyzed polymerization to enhance both the conductivity and stability. The binaphthyl unit can depress the chain packing density and enlarge the free volume of the AEMs, conducing to form well-defined microphase separation and to build well-developed ion-conductive highways. The poly(binaphthyl piperidinium)-based AEM (QABNP) shows the highest OH − conductivity of 135.25 mS cm −1 superior to the poly(quaterphenyl piperidinium)-based AEM (QAQPP) (109.12 mS cm −1 ). Meanwhile, the QABNP AEM exhibits about 90% conductivity retention after being tested in a harsh alkaline environment (2 M NaOH at 80 °C) for 1080 h. Importantly, the QABNP based single cell possesses the highest peak power density (PPD) of 1.16 W cm −2 at a high current density of 2.37 A cm −2 with a low high frequency resistance (HFR) of 0.04 Ω cm 2 . This study demonstrates the merits of bulky twisted binaphthyl incorporated in a polymer backbone for improving AEM performances.
✓ 已验证
产品关联
DOI
高影响因子
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.
✓ 已验证
产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2021
·
IF 7.312
Xudong Zhang,Junyao Wang,Jun Shen,Yugao Wang,Gang Liu,Yanxia Niu,Qingtao Sheng
Indole is an important organic synthesis intermediate derived from the wash oil fraction in coal tar. Deep eutectic solvents (DESs) have been widely used in the separation field due to their unique properties such as easy preparation, low cost, green and high extraction efficiency, and reusability. In this study, five DESs, including tetramethylammonium chloride/ethylene glycol (TMAC/EG), triethylmethylammonium chloride/ethylene glycol (TEMAC/EG), tetraethylammonium chloride/ ethylene glycol (TEAC/EG), tetrapropylammonium chloride/ethylene glycol (TPAC/EG), tetrabutylammonium chloride /ethylene glycol (TBAC/EG) were prepared and used to extract indole from model wash oil. The results showed that TPAC/EG exhibited the best extraction ability under the same conditions. Then, the main experimental parameters such as mass ratio of DES to model wash oil, extraction temperature, extraction time, standing time and initial concentration of indole, were investigated when using TPAC/EG as extractant. In optimal conditions (25℃, 5 min, mass ratio 1:8), the extraction efficiency, selectivity and distribution coefficient for indole were 90.51%, 79.21% and 61.12, respectively. Moreover, removing neutral oil with petroleum ether, the purity of indole further reached 96.63%, which was much higher than that in the previous studies reported. In addition, accessible and environmentally friendly water instead of diethyl ether was used to regenerate the DES. Reused four times, the TPAC/EG extraction ability for indole almost did not change. Finally, the mechanism of extraction process was investigated by FT-IR analysis. This work provides a new route for extraction and recovery indole from wash oil.
✓ 已验证
产品关联
DOI
高影响因子
Journal of Cleaner Production
·
2021
·
IF 9.297
Antony Rajendran,Hong-Xia Fan,Tian-You Cui,Jie Feng,Wen-Ying Li
SO x emission, one of the significant contributors to air pollution, is primarily caused by the combustion of sulfur-containing liquid fuels . Thus, ultra-low sulfur or sulfur-free fuels production gains more attention to construct the SO x -free environment. Despite the oxidative desulfurization using polyoxometalates and hydrogen peroxide showing promising results, the requirement of hydrogen peroxide in excess and the complicated synthesis of heterogeneous polyoxometalates are the key drawbacks. So, in this paper, facile hydrothermal synthesis of mesoporous tin oxide-supported octamolybdates containing Mo V and Mo VI sites is reported for oxidative desulfurization with near stoichiometric hydrogen peroxide. The current catalytic system seems competitive among molybdenum-based oxidative desulfurization catalysts due to its higher turnover frequencies of 28.1 h −1 . The straightforward synthesis of catalysts and their excellent oxidative desulfurization activity would be attractive in building the SO x -free environment via clean transport energy.
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）