CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2016
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IF 1.207
Hao Sun,Saijian Shi,Zhenggui Gu
A preparation process of 2-methylnaphthalene (2-MN) was proposed by isomerization , side-stream distillation and extractive distillation. The isomerization of alkyl naphthalene was catalyzed by acid-treated HBEA zeolites, and the 2-MN selectivity of isomerization was 92.70%. Side-stream distillation and extractive distillation were investigated by simulation, and effects of operation parameters on 2-MN were studied. Further, the simulated results were verified by experiment. Under the optimal condition, the mass fraction of 2-MN reached to 98.09% in the product, and the yield was 83.84% in refining process.
研究领域:
化学工程
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催化反应工程
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2024
·
IF 5.3
Wen-bo Zhao,Wen-shuo Zhang,Jun Shen,Yu-gao Wang,Yan-xia Niu
The high-temperature coal tar wash oil contains two valuable components, namely, quinoline and 2-methylnaphthalene. These two components are challenging to separate during the deep processing. To address this issue, the COSMO-RS (Conductor-like Screening Mode for Real Solvent) model was utilized to identify them as a potential deep eutectic solvents (DESs) extractant. Based on the calculated infinite dilution activity coefficient, the performance indexes of DESs , including selectivity, solubility, and performance index were determined and utilized to identify high-performance extractants for the quinoline/2-methylnaphthalene system. Finally five DESs were selected based on these indexes, they are DES1 formed by Choline chloride: propionic acid with the molar ratio of 1:1, similarly, DES2 is Choline chloride:oxalic acid of 1:1, DES3 Tetraethylammonium chloride:propionic acid of 1:1, DES4 Tetraethylammonium bromide:itaconic acid of 1:2 and DES5 Tetraethylammonium bromide:propionic acid of 1:2. The liquid–liquid phase equilibrium experiments of the aforementioned five DESs at different temperatures (30 ℃, 40 ℃, and 50 ℃) under atmospheric pressure were conducted. The results showed that five kinds of DESs had good extraction effect on quinoline. The DESs formed by choline chloride and anhydrous oxalic acid had the best extraction effect. The quantum chemical single-molecule optimization of different HBDs and HBAs in DESs, intermolecular interaction energy analysis and independent gradient modeling shows that it is mainly induced by the formation of shared electron pairs by providing empty orbitals from DESs and lone pair of electrons from the quinoline molecule, and the main force is the weak hydrogen bonding force.
研究领域:
化学工程
·
材料科学
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2015
·
IF 2.037
Fang Zhang,Yaocun Tang,Long Wang,Li Xu,Guoji Liu
The solubility of 2-methylnaphthalene in different organic solvents was experimentally studied by the equilibrium method at temperatures from (278.15 to 303.15) K under atmospheric pressure. The solubility of 2-methylnaphthalene in all solvents increased with the increasing temperature. The solubility data were correlated with four thermodynamic models including the van’t Hoff equation, modified Apelblat equation, λh equation, and Wilson model. It was found that the calculated solubility with modified Apelblat equation provided a good agreement with the experimental values for the solubility behavior of 2-methylnaphthalene. The thermodynamic properties of the standard dissolution enthalpy, standard entropy, and the standard mole Gibbs free energy were evaluated based on the van’t Hoff analysis. The values of enthalpy of dissolution are positive, which indicate that the dissolution process of 2-methylnaphthalene in different organic solvents is endothermic.
研究领域:
化学
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物理化学
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高影响因子
FUEL
·
2022
·
IF 8.035
Zhongqiang Tang,Siyuan Zhao,Xiao Zhao,Runze Jin,Jiaofei Wang,Zhuangzhuang Zhang,Haobin Hu,Xinwen Guo,Chengyi Dai,Xiaoxun Ma
The conversion of naphthalene into high value-added intermediate, 2,6-dimethylnaphthalene (2,6-DMN), using methanol as an alkylating agent has been widely studied. However, the low conversion of naphthalene and the easy deactivation of catalysts due to carbon deposition still pose challenges for industrialization. This is attributed mainly to the huge difference in the conversion kinetics of naphthalene and methanol. Herein, we report the first one-step process for the synthesis of 2,6-DMN from naphthalene by direct alkylation with syngas over “ZnAlCrOx&HZSM-5″ bifunctional catalyst. Compared to the traditional alkylation process of naphthalene with methanol, the direct alkylation of naphthalene with syngas not only shortened the process route and improved the reaction balance of syngas to methanol, but also improved the effective utilization rate of CO (29.87 %), naphthalene conversion, and catalyst stability. Results indicated that the alkylation of naphthalene could be improved by appropriately narrowing the spacing between the ZnAlCrOx oxide and HZSM-5. The acid strength and acidity on the external surface of HZSM-5 were modified by P or Si to improve the initial conversion of naphthalene and the selectivity for 2,6-DMN. The difficulty in determining the deactivation point of catalysts with multiple active sites under complex catalytic systems was solved by adopting a strategy of ”improve shortcomings“. The decline of metal activity in this reaction was found to be the main reason for catalyst deactivation. Doping of Ce into ZnAlCrOx helped to improve the stability of the catalyst from 80 h to 120 h.
研究领域:
化学工程
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催化科学
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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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.
研究领域:
化学工程
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分离科学
·
石油加工
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DOI
高影响因子
JOM
·
2024
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IF 2.1
Yu Shi,Pan Hong,Ju Jianbin,Xia Guangping,Huang Yipeng,Ruan Guihua,Jiang Fuyang
In this study, carbon spheres decorated with nickel nanoparticles (ACS@Ni NPs) were prepared through arginine-assisted hydrothermal treatment, followed by high-temperature carbonization in a nitrogen atmosphere. ACS@Ni NPs displayed uniform size and excellent monodispersity. The specific surface area increased from 9.03 m 2 /g to 428.69 m 2 /g after carbonization. The ACS@Ni NPs were employed as adsorbents in dispersive magnetic solid phase extraction (d-MSPE) to extract methylnaphthalene and acenaphthene. The adsorption capacities of ACS@Ni NPs for methylnaphthalene and acenaphthene were 1592.75 μg g −1 and 1652.83 μg g −1 , respectively. In addition, ACS@Ni NPs sustained adsorption efficiencies > 90% even after ten reuse times. Coupled with high-performance liquid chromatography-ultraviolet detection technology, under the optimum experimental conditions, the detection limits of methylnaphthalene and acenaphthene were 0.58 and 0.12 ng mL −1 . The recoveries of methylnaphthalene and acenaphthene in all samples remained > 95%, with relative standard deviations < 4.5%. The results indicated that ACS@Ni NPs could be applied in environmental pollution treatment and sample preparation.
研究领域:
环境科学
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材料科学
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高影响因子
Molecular Catalysis
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2020
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IF 3.687
Yi Yu,Fanfan Li,Zhouxuan Zang,Li Xu,Guoji Liu
Catalytic oxidation of 2-methylnaphthalene to 2-methyl-1,4-naphthoquinone (vitamin K 3 ) is a significant pathway to produce vitamin groups K. High pollution and low-productivity of the traditional method require a greener catalyst and process. In this work, Al/Ti-SBA-15 with different n Si /n Al and n Si /n Ti ratios were hydrothermally prepared in mild acidic condition and tested in partial oxidation of 2-methylnaphthalene. Commercial zeolites NaY, β and ZSM-5 were applied to investigate the influence of mass transfer resistance and acidity on catalytic performance. Catalysts were characterized by XRD, N 2 adsorption-desorption, TEM, NH 3 -TPD, FTIR and Py -FTIR. We have found that the 2-methylnaphthalene conversion and vitamin K 3 selectivity depend strongly on the mesoporous structure as well as Brönsted acid concentration and strength. Irregular micropores and strong acidity will accelerate the cleavage of C = C in aromatic rings, leading to the production of phthalic anhydride. DFT calculation reveals that incorporation of aluminum in SBA-15 can reduce the energy gap, facilitating the electron transfer. And as a consequence of the substitution of Al in tetrahedral positions in SBA-15, Al-SBA-15 (10) gives the best result with 72% yield to vitamin K 3 . This catalyst markedly reduces the activation energy due to the modified activated center. Repeated experiments recommend that Al-SBA-15 is a steady and high-efficiency catalyst for the production of vitamin K 3 .
研究领域:
化学工程
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材料科学
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生物化学
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高影响因子
FLUID PHASE EQUILIBRIA
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2025
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IF 2.7
Junwei Cui,Abdul Mosaur Waseel,Qing Duan,Yike Gao,Chenyang Zhang,Tao Yang,Shengshan Bi
Hydrogen (H 2 ) solubility in liquid organic hydrogen carriers (LOHCs) is crucial for their widespread applications. This work investigates the solubility of H₂ x in two promising LOHCs: Acetophenone (APO) and 1-Methylnaphthalene (1-MN). Measurements were conducted using an isochoric saturation method within a temperature range of 293 to 363 K and pressures up to 5.8 MPa. The liquid densities ρ of APO and 1-MN, essential for characterizing H₂ solubility, were measured using a vibrating tube densitometer (DMA5000 M) at approximately 0.1 MPa. The experimental ρ for APO and 1-MN were compared with literature data and good agreement can be found. The Krichevsky-Kasarnovsky(K-K) equation was employed to correlate H₂ solubility x in APO and 1-MN, with deviations of mostly within 6 % and 10 %, respectively. Following, the behavior of H₂ solubility x concerning pressure along isothermal lines was analyzed. Finally, the thermodynamic parameter of dissolution of the two binary systems were studied. The enthalpy of dissolution is positive for all the systems, while the entropy of dissolution is negative. Under the same temperature, the Gibbs free energy of dissolution for the H₂ + APO system is smaller than that of the H₂ + 1-MN system.
研究领域:
化学工程
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物理化学
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高影响因子
RESEARCH ON CHEMICAL INTERMEDIATES
·
2017
·Vol. 43
·期 8
·4697-4710
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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.
研究领域:
化学工程
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催化科学
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高影响因子
CATALYSIS COMMUNICATIONS
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2018
·
IF 3.463
Xiaoqiang Gao,Fang Zhang,Yi Yu,Yonghui Dou,Li Xu,Guoji Liu
Mo-modified V 2 O 5 /TiO 2 catalysts were prepared by wetness impregnation method and investigated for the selective oxidation of 2-methylnaphthalene to 2-naphthaldehyde. The catalysts were characterized by XRD, BET, XPS, and Raman to investigate the promotional effect of Mo on catalyst structure, surface property, and catalytic performance. The introduction of molybdenum decreases the amount of KVO 3 phase and enhances the dispersion of the vanadium phase. XPS and Raman results indicate that Mo prevents Sn and K to interact with V species and bonds with Ti or V through bridge oxygen. V1Mo1 sample demonstrates a remarkable improvement in conversion and selectivity compared with others.
研究领域:
催化化学
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材料科学
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DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2021
·
IF 3.764
Yi Yu,Fanfan Li,Xinghao Han,Shanghai Long,Shishuai Shi,Li Xu,Guoji Liu
2-Naphthaldehyde is industrially produced from 2-naphthalene nitrile and 2-naphthoyl chloride in acid. Greener gas-solid catalytic oxidation of 2-methylnaphthalene to 2-naphthaldehyde has rarely been investigated. In this study, the preparation of 2-naphthaldehyde over V/TiO2 catalysts doped with 13 metal promoters was explored and the V-Cu(1)/TiO2 catalyst showed excellent performance with 63.37% 2-methylnaphthalene conversion and 70.09% 2-naphthaldehyde selectivity at 400 °C, gas hourly space velocity (GHSV) of 10 000 h–1, and feed flow rate of 3.87 × 10–4 mol·h–1, giving the highest turnover frequency (TOF) value of 17.05 × 10–6 s–1. We have consequently studied the effect of Cu doping on the physicochemical properties of the V/TiO2 catalyst and found that structural changes are not the main reason to improve the catalytic performance. Increased vacancies and oxygen mobility accelerate the formation of nucleophilic oxygen from electrophilic oxygen, which are the key factors to improve 2-NA selectivity. The synergy between V, Cu, and O through the V–O–Cu bridging bond also improves the weak acid ratio, redox ability, and the reactivity of active sites (bridging and terminal oxygen). X-ray photoelectron spectroscopy (XPS), in situ diffuse-reflectance infrared Fourier transform (DRIFT) spectroscopy, and density-functional theory (DFT) calculations have proved that this reaction obeys the Mars–van Krevelen mechanism and involves a reduction process of V5+ and Cu2+ during oxidation.
研究领域:
催化化学
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理论化学
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环境科学
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高影响因子
JOURNAL OF POROUS MATERIALS
·
2018
·Vol. 26
·期 4
·961-970
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IF 1.858
Sun Hao,Wang Ao,Sun Kang,Jiang Jianchun,Wang Fang,Gu Zhenggui
Hierarchical HBEA catalysts were fabricated through alkaline treatment and evaluated in a fixed-bed reactor. The relative crystallinity, pore property, Si/Al molar ratio, coke formation and structure of catalysts were investigated by the methods including X-ray diffraction, N 2 physisorption, X-ray fluorescence, thermogravimetric analysis and transmission electron microscope, respectively. The acidity of catalysts was studied by Fourier transform infrared spectrometry using pyridine as the probe molecule. These results demonstrated that pure NaOH treatment improved the mesoporosity of catalyst, while decreased the β -methylnaphthalene selectivity and catalyst stability due to the partially destroyed framework and an increase in the concentration of Lewis acid sites. The Lewis acid sites are responsible for the hydride transfer and subsequent reaction that form coke. In contrast, the presence of tetra-propyl-ammonium hydroxide in the mixed-alkali treatment resulted in regular mesopores development, preserved intrinsic zeolite properties and Lewis sites proportion, leading to the maintained β -MN selectivity and coke deposition rate. The increased mesoporosity and strong Brönsted acid sites amount per number of coke were responsible for the improved coke tolerance of mixed-alkali treated HBEA, and thus its deactivation rate was 41.7% lower than that of HBEA catalyst.
研究领域:
化学工程
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催化材料
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DOI
高影响因子
危险品化学品经营许可证（带存储）