INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2018
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IF 3.141
Zihao Zhang,Zehua Pei,Hao Chen,Kequan Chen,Zhaoyin Hou,Xiuyang Lu,Pingkai Ouyang,Jie Fu
Al2O3-supported Cu and Ni monometallic as well as Cu–Ni bimetallic catalysts were synthesized using a coprecipitation method and studied for the in-situ hydrogenation of furfural (FAL) with isopropanol as the solvent and hydrogen donor. The Cu–Ni bimetallic catalysts showed improved activity toward the production of 2-methylfuran (2-MF) and 2-methyltetrahydrofuran (2-MTHF) over that of monometallic catalysts. The results indicated that isopropanol exhibited better performance than methanol for the in-situ hydrogenation of FAL to produce 2-MF and 2-MTHF under the same conditions. The reaction conditions such as the copper–nickel ratios, catalyst loading amount, reaction temperature, and time were optimized. After the reaction was complete, the supported Cu–Ni bimetallic catalyst could be reused four times without a significant loss in catalytic activity.
研究领域:
催化化学
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可再生能源
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绿色化学
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产品关联
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
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材料科学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2015
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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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产品关联
DOI
高影响因子
CHEMOSPHERE
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2018
·
IF 4.427
Lingfei Ma,Chaoyi Wang,Haipu Li,Fangyuan Peng,Zhaoguang Yang
Geosmin (GSM) and 2-methylisoborneol (2-MIB) are two common odor compounds in drinking water . In this paper, the performance of UV/chlorine was compared with that of chlorine and UV to degrade GSM (100 ng L −1 ) and 2-MIB (100 ng L −1 ) in water. UV/chlorine was further exploited, and a steady-state kinetic model was used to conduct a detailed study on efficiency, rate, reactive species and pathway. The results showed that UV/chlorine greatly could improve the removal ratio to 90% within 5 min, from approximately 20% with only UV or dark chlorine in 60 min. The removal ratio and rate depended on UV light intensity , free chlorine dosage, reaction time and water quality parameters (e.g. pH, concentrations of HCO 3 − and Cl − ). Among these factors, the first two obviously could accelerate the rate and increase the ratio. The degradation was also significantly improved in an acidic condition, while alkaline conditions and HCO 3 − had inhibitory effects, and Cl − created no difference. Contributions of OH and Cl to the degradation of 2-MIB and GSM were further revealed, and OH was found to be the most important reactive species. In the UV/chlorine process, 6 degradation byproducts of 2-MIB, including 1 alcohol, 2 ketones, and 3 olefins , were identified, and 14 degradation byproducts of GSM, including 6 ketones, 1 aldehyde, 2 alcohols, 3 naphthenes , and 2 olefins, were found by using solid-phase microextraction coupled to gas chromatography-mass spectrometry. The possible degradation pathways of GSM and 2-MIB in UV/chlorine thus were proposed.
研究领域:
环境科学
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饮用水处理
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产品关联
DOI
PubMed
高影响因子
Molecular Catalysis
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2020
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IF 3.687
Kaikai Liu,Tiefeng Wang,Minghan Han
The catalytic isomerization of 2-methyl-3-butenenitrile (2M3BN), a model reaction in the DuPont process, has been performed using NiL 4 (L=tri- O - p -tolyl phosphite) as a catalyst. The lowered catalytic activity in the isomerization with coexistence of 2-pentenenitrile (2PN) and 2-methyl-2-butenenitrile (2M2BN) indicates that both 2PN and 2M2BN are the catalyst inhibitors , and the quantitative relationship between the conversion of 2M3BN and the content of 2M2BN and 2PN is provided. DFT calculation results suggest that the inhibition effect is attributed to the generation of dead-end intermediates (2PN)NiL 2 and (2M2BN)NiL 2 , both of which take nickel atom out of the catalytic cycle in the isomerization process. To suppress the inhibition effect, new catalytic intermediates are rationally designed based on their computational %V bur . An efficient method that adding extra ligand 1, 5-bis(diphenylphosphino)pentane (dppp5) to the NiL 4 catalyst is selected experimentally. Compared to the results obtained with NiL 4 as catalyst, the (dppp5)NiL 2 increases the conversion of 2M3BN from 74.5 % to 93.4 % at 3 h of reaction and provides a high selectivity to 3PN (> 98 %) at optimal conditions.
研究领域:
催化
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有机化学
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计算化学
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产品关联
DOI
高影响因子
APPLIED CATALYSIS A-GENERAL
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2025
·
IF 4.8
Jun He,Shuang Xiang,Xiaohui Liu,Yanqin Wang
High selective hydrogenolysis of furfural to 2-methylfuran over a metal oxide-based catalyst is promising and challenging. In this paper, a Zr-modified CoO x (Zr 1 Co 6 -325) catalyst was prepared via a simple co-precipitation/reduction and exhibited superior initial activity and remarkable circular stability during the hydrogenolysis of furfural (FUR) to 2-methylfuran (2-MF). As high as 71.2 % yield of 2-MF was achieved at 170 °C for 2 h and nearly no deactivation was found after five cycles, much better than those of reduced Co 3 O 4 catalyst (Co 3 O 4 -250). Comprehensive studies demonstrated that the over-reduction of the CoO species during the reaction process was the main cause of catalyst deactivation. The introduction of Zr species, on the one hand, inhibited the over-reduction of CoO species during reaction processes, thereby enhancing the circular stability. On the other hand, the introduction of Zr species promoted the activation and dissociation of H 2 and therefore improved the activity. This research unveiled the stabilizing effect of Zr species on CoO, providing guidance for the design of high-stable CoO-based catalysts.
研究领域:
催化化学
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材料科学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2025
·
IF 2.1
Hongyue Guo,Yifang Wu,Qingsong Li
To separate the azeotropic system of 2-methyl-2-butanol and water, the liquid–liquid equilibria (LLE) data of water + 2-methyl-2-butanol + solvents (anisole, isoamyl alcohol, 1-octanol, ethyl acetate, methyl isobutyl ketone) were obtained at 308.2 K under 101.3 kPa, and all systems are Treybal’s type II. The distribution coefficient and selectivity coefficient were used to evaluate the effect of extraction and separation of water and 2-methyl-2-butanol. Meanwhile, quantum chemical methods were used to analyze intermolecular interactions. Finally, the Non-random Two Liquids and UNIQUAC thermodynamic models were used to correlate the LLE data to obtain binary interaction parameters with the RMSD being less than 0.19%. Meanwhile, the consistency of regression parameters of NRTL and UNIQUAC models was verified by the GUI-MATLAB tool.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
iScience
·
2023
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IF 5.8
Ye Zhao,Xueyong Yin,Yang Yu,Shihao Huang,Hao Feng,Shuang Wang,Yiming Cai,Ruofan Zhao,Shuai Gao,Ye Liu,Zhengxin Zhang,Xinyu Zhao,Ruonan Qiao,Jialin Yuan,Weichen Guan,Huiping Yang,Yun Shi,Haishui Shi
Huddling behavior, a typical social interaction among animals, has the benefits of obtaining social support and adapting environment. Huddling behavior is determined by social (social hierarchy), environmental factors (stress events), and the neuroendocrine system. Nevertheless, the huddling behavior of different social hierarchies and the underlying mechanisms have not been fully elucidated. In the present study, acute 2-methyl-2-thiazoline (2 MT) can induce huddling behavior and significantly increase serum levels of testosterone (T) in mice; and the increased T level was positively correlated with huddling behavior. Further, the T treatment significantly increased the huddling behavior in mice under 2 MT exposure condition. More interestingly, T can quickly promote dominant individuals to occupy safe positions when huddling together under predator odor. Collectively, T can rapidly regulate the individual's adaptive response to threats in a social rank-dependent manner, which provides a new perspective for the in-depth study of the influencing factors and underlying mechanisms of huddling behavior.
研究领域:
神经生物学
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内分泌学
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行为学
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DOI
PubMed
高影响因子
JOURNAL OF FLUORESCENCE
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2024
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IF 2.6
Dai Zhengyuan,Liu Hao,Sun Xuyuan,Wang Ying,Fan Jie,Li Li,Ding Yaping
Using o-phenylenediamine as carbon source and phytic acid as phosphorus source, two P-rich carbon quantum dots RCDs and BCDs were synthesized successfully by changing the reaction temperature and time of hydrothermal method. It was found that RCDs with red emission could realize sensitive detection of 2-methylimidazole, and 2-methylimidazole had no obvious quenching effect on BCDs with blue emission, which made RCDs a sensitive, quick and selective fluorescence sensor for 2-methylimidazole detection. Under the optimal experimental conditions, the fluorescence intensity of RCDs decreased with the increasing of 2-methylimidazole concentration. The detection of 2-methylimidazole concentration by the carbon quantum dots sensor showed a good linear relationship in the range of 5 ~ 110 µM, and the low detection limit was 0.61 µM (S/N = 3). The sensor is able to detect 2-methylimidazole in lake water, enabling the application of real samples. The results show that this work provides a simple fluorescence method to detect 2-methylimidazole in water.
研究领域:
分析化学
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环境科学
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产品关联
DOI
PubMed
高影响因子
ChemistrySelect
·
2025
·Vol. 10
·期 20
·e01019
·
IF 2
Siqi Wang,Yazhou Wang,Yonggang Ji,Zhenye Li,Yueli Dai
Graphical This study investigated the reactivity of nickel phosphide, copper phosphide, and cobalt phosphide catalysts in the hydrodeoxygenation of furfural to 2-methylfuran. Appropriate acidic and adsorbent configurations were employed to facilitate the production of 2-methylfuran. Among the catalysts tested, the copper phosphide catalyst exhibited the highest selectivity for 2-methylfuran. A series of transition metal (Ni, Cu, and Co) phosphides were prepared by temperature programmed reduction method. The effect of the metal species and the initial P/Cu molar ratios on the catalytic activity of furfural hydrodeoxygenation was investigated, and the reaction conditions were optimized. Complete conversion of furfural was achieved under conditions of 220 °C and 15 bar for 4 h over Ni 2 P, CoP, or Cu 3 P catalysts. Notably, a selectivity of 95% of 2-methylfuran was attained when the Cu 3 P-3 was employed as a catalyst. The experimental results showed that a suitable P/Cu molar ratio could promote the conversion of the intermediate furfuryl alcohol to 2-methylfuran while avoiding the generation of overhydrogenation products. Under the optimal reaction conditions, the Cu 3 P-3 catalyst could be used for four times with only a slight decrease in catalytic performance.
研究领域:
化学工程
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催化科学
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产品关联
DOI
高影响因子
JOURNAL OF SOLID STATE CHEMISTRY
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2015
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IF 2.133
Xiangli Guo,Tiantian Xing,Yongbing Lou,Jinxi Chen
Zeolitic imidazolate frameworks ZIF-67 were prepared under hydrothermal (120 °C) and non-hydrothermal (room temperature) from various cobalt sources and 2-methylimidazolate (Hmim) in aqueous solution within 30 min. The particle size and morphology were found to be related to the reactivity of the cobalt salt , Hmim/Co 2+ molar ratios and experimental condition. Using Co(NO 3 ) 2 as cobalt source, small-sized ZIF-67 crystals with agglomeration were formed. For CoCl 2 , small-sized rhombic dodecahedron were obtained. While large-sized crystals of rhombic dodecahedron structure were obtained from CoSO 4 and Co(OAc) 2 . Under hydrothermal condition, the size of ZIF-67 crystals tended to be more uniform and the morphology were more regular comparing to non-hydrothermal condition. This study provides a simple way to control the size and morphology of ZIF-67 crystals prepared in aqueous solution.
研究领域:
材料科学
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化学工程
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产品关联
DOI
高影响因子
ACS ES&T Water
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2022
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IF 0
Fan Yang,Jianwei Yu,Qi Wang,Chunmiao Wang,Yuning Du,Zhiyuan Liu,Lili Zhang,Zhengang Liu,Chuanyong Jing,Junwang Tang,Min Yang
Powdered activated carbon (PAC) is the most widely used adsorbent for removing odorants like 2-methylisoborneol (MIB) for drinking water purification. The hydrophobicity exhibited by the moieties of the carbon structure is known to be important for the adsorption of activated carbon. Here we propose a novel approach for regulating the hydrophobicity of the carbon surface by rearranging carbon atoms without changing the pore structures markedly through thermal transformation using Fe(NO3)3 as the catalyst. Five different PACs were transformed into hydrophobic porous carbons (HPCs) with 2.47–3.00 times the adsorption capacity and faster adsorption rates, accompanied by the surface free energy being decreased by 26.67–36.40%, the IG2/IG1 representing the degree of order being increased by 17.31–53.68%, the C–C(sp2)/C–C(sp3) being increased by 31.9–49.8%, and the oxygen content being decreased by 4.71–8.63%. The increase in ordered planar crystals dominated by sp2 carbons as well as the decrease in the number of heteroatoms in HPCs might be the main reason for its enhanced adsorption of MIB. Simulation based on reactive force field molecular dynamics indicated that MIB molecules tended to be adsorbed in ordered structures. This study provides a novel angle for improving the surface hydrophobicity of activated carbon, which may lead to the development of high-performance adsorbents.
研究领域:
环境科学
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材料科学
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产品关联
DOI
危险品化学品经营许可证（带存储）