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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2014 · IF 2.045

Liquid–Liquid Equilibrium for the Ternary System Water + Ethylbenzene + Acetophenone and Water + Ethylbenzene + 1-Phenylethanol

Lijuan Peng,Qinbo Wang,Binwei Shen,Chuxiong Chen,Zhenhua Xiong

Liquid–liquid equilibrium (LLE) data for the ternary system water + ethylbenzene + acetophenone and water + ethylbenzene + 1-phenylethanol were determined at temperatures T = (298.2, 308.2, 318.2, and 328.2) K and atmospheric pressure. The immiscibility region was found to be relatively small and not sensitive to the change of temperature. The Othmer–Tobias and the Bachman correlations were used to test the consistency of the LLE data. The experimental data were correlated by both the nonrandom two-liquid and the universal quasichemical activity coefficient models. The relevant model interaction parameters were regressed by data fitting. The model correlated results show good agreement with the measured data. The obtained interaction parameters can be used in the calculation of LLE for the ternary system water + ethylbenzene + acetophenone and water + ethylbenzene +1-phenylethanol as well as for the design and optimization of the related separation process.

研究领域: 化学工程 · 热力学
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Molecular Catalysis · 2020 · IF 3.687

Bimetallic Pd-M (M = Pt, Ni, Cu, Co) nanoparticles catalysts with strong electrostatic metal-support interaction for hydrogenation of toluene and benzene

Jingyi Yang,Yanping Fan,Zhong-Li Li,Zhikun Peng,Jing-He Yang,Baozhong Liu,Zhongyi Liu

Herein, we reported an effective method to synthesis a series of supported bimetallic Pd-M/SiO 2 (M = Pt, Ni, Cu, Co) catalysts with highly exposed and well-alloyed nanoparticles via simultaneous strong electrostatic adsorption (co-SEA), which controlled metal precursors strongly anchored onto the oppositely charged support (SiO 2 ) by changing the pH relative to the surface point of zero charge (PZC). The toluene and benzene hydrogenation were used as probe reactions to evaluate the catalytic hydrogenation activity performance of the Pd-M/SiO 2 catalysts. Compared to the catalysts synthesized by the common technique simultaneous dry impregnation (co-DI), the co-SEA Pd-Ni/SiO 2 catalyst exhibited the highest turnover frequencies (TOFs) of 3.7 s −1 for benzene hydrogenation and 3.2 s −1 for toluene hydrogenation. This was attributed to the large amount of electron-deficient Pdδ + sites on the surface of SEA Pd-M/SiO 2 that easily for electron-rich benzene and toluene to adsorb. Besides, the co-SEA catalysts produced well stability and reusability without significant decrease in the catalytic activity after six runs.

研究领域: 催化 · 材料科学 · 化学工程
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2021 · IF 2.694

Isobaric Vapor–Liquid Equilibrium for the Binary Systems of 2-Phenylethanol + 2-Ethylphenol, 1-Phenyl-2-propanol + 2-Ethylphenol, 2-Phenylethanol + 1-Phenyl-2-propanol and 2-Phenyl-1-propanol + 2-Ethylphenol under 101.3 kPa

Qing Yi,Wei-Peng Chen,Xiang-yang Zhang,Yan-Yang Wu,Bin Wu,Kui Chen,Li-Jun Ji

The isobaric vapor–liquid equilibrium (VLE) data of 2-phenylethanol (2-PE) + 2-ethylphenol (2-EP), 1-phenyl-2-propanol (1,2-PP) + 2-ethylphenol (2-EP), 2-phenylethanol (2-PE) + 1-phenyl-2-propanol (1,2-PP) and 2-phenyl-1-propanol (2,1-PP) + 2-ethylphenol (2-EP) were measured by a modified Rose type still under 101.3 kPa. Both the Fredenslund test and Redlich–Kister area test were employed to verify the consistency of the experimental data. Besides, the experimental isobaric VLE data were correlated by Wilson, nonrandom two-liquid, and universal quasi-chemical models, and the corresponding parameters were obtained accordingly. All three models showed good agreement with the experimental data, and among which the Wilson model performed slightly better than the others.

研究领域: 化学工程 · 物理化学
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PLoS One · 2015 ·Vol. 10 ·期 4 ·e0122740 · IF 3.234

Sphingobium fuliginis HC3: A Novel and Robust Isolated Biphenyl- and Polychlorinated Biphenyls-Degrading Bacterium without Dead-End Intermediates Accumulation

Jinxing Hu,Mingrong Qian,Qian Zhang,Jinglan Cui,Chunna Yu,Xiaomei Su,Chaofeng Shen,Muhammad Z. Hashmi,Jiyan Shi

Biphenyl and polychlorinated biphenyls (PCBs) are typical environmental pollutants. However, these pollutants are hard to be totally mineralized by environmental microorganisms. One reason for this is the accumulation of dead-end intermediates during biphenyl and PCBs biodegradation, especially benzoate and chlorobenzoates (CBAs). Until now, only a few microorganisms have been reported to have the ability to completely mineralize biphenyl and PCBs. In this research, a novel bacterium HC3, which could degrade biphenyl and PCBs without dead-end intermediates accumulation, was isolated from PCBs-contaminated soil and identified as Sphingobium fuliginis . Benzoate and 3-chlorobenzoate (3-CBA) transformed from biphenyl and 3-chlorobiphenyl (3-CB) could be rapidly degraded by HC3. This strain has strong degradation ability of biphenyl, lower chlorinated (mono-, di- and tri-) PCBs as well as mono-CBAs, and the biphenyl/PCBs catabolic genes of HC3 are cloned on its plasmid. It could degrade 80.7% of 100 mg L −1 biphenyl within 24 h and its biphenyl degradation ability could be enhanced by adding readily available carbon sources such as tryptone and yeast extract. As far as we know, HC3 is the first reported that can degrade biphenyl and 3-CB without accumulation of benzoate and 3-CBA in the genus Sphingobium , which indicates the bacterium has the potential to totally mineralize biphenyl/PCBs and might be a good candidate for restoring biphenyl/PCBs-polluted environments.

CAS / MDL: 118-91-2
研究领域: 环境微生物学 · 污染治理
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CHINESE JOURNAL OF CHEMICAL ENGINEERING · 2021 · IF 3.171

Efficient conversion of benzene and syngas to toluene and xylene over ZnO-ZrO2&H-ZSM-5 bifunctional catalysts

Xiao Zhao,Xuan Shi,Zhongshun Chen,Long Xu,Chengyi Dai,Yazhou Zhang,Xinwen Guo,Dongyuan Yang,Xiaoxun Ma

A series of ZnO-ZrO 2 solid solutions with different Zn contents were synthesized by the urea co-precipitation method, which were coupled with H-ZSM-5 zeolite to form bifunctional catalysts. As a new benzene alkylation reagent, syngas was used instead of methanol to realize the efficient conversion of syngas and benzene into toluene and xylene. A suitable ratio of ZnO-ZrO 2 led to the significant improvement in the catalytic performance, and a suitable amount of acid helped to increase the selectivity of toluene/xylene and reduce the selectivity of the by-products ethylbenzene and C 9 + aromatics. The highest benzene conversion of 89.2% and toluene/xylene selectivity of 88.7% were achieved over 10% ZnO-ZrO 2 &H-ZSM-5 (Si/Al = 23) at a pressure of 3 MPa and a temperature of 450 °C. In addition, the effect of the zeolite framework structure on product distribution was examined. Similar to the molecular dynamics of aromatic hydrocarbons , H-ZSM-5 zeolites comprise 10-membered-ring pores, which are beneficial to the activation of benzene; hence, the conversion of benzene is higher. H-ZSM-35 and H-MOR zeolites exhibited small eight-membered-ring channels, which were not conducive to the passage of benzene; hence, the by-product ethylbenzene exhibits a higher selectivity. The distance between the active centers of the bifunctional catalysts was the main factor affecting the catalytic performance, and the powder mixing method was more conducive to the conversion of syngas and benzene.

CAS / MDL: 10196-18-6
研究领域: 催化化学 · 材料科学
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ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH · 2019 ·Vol. 26 ·期 20 ·20277-20285 · IF 2.914

Characteristic and mechanism of sorption and desorption of benzene on humic acid

Tang Zhi,Li Yilian,Yang Zhe,Liu Danqing,Tang Min,Yang Sen,Tang Ye

The sorption/desorption behaviors of benzene, toluene, ethylbenzene, and xylene (BTEX) on soil organic matter (SOM) have a significant influence on their fate and bioavailability in soil. Humic acid (HA) is a major fraction of SOM. And due to its various structural properties and chemical composition, the sorption/desorption characteristics and mechanisms of HA are diverse for organic contaminants. In this study, batch experiments were conducted to investigate the sorption/desorption behavior of benzene on HA at different conditions (temperature, pH, and ionic strength). The particle size of HA increased at lower initial pH which promoted sorption capacity for benzene, illustrating that HA with larger particle size may develop preferential chemical conformation for benzene sorption at lower pH. Sorption isotherms indicated that the sorption of benzene on HA is an exothermic and spontaneous physical process. And kinetic studies showed that the sorption of benzene on HA is controlled by the diffusion process and the availability of sorption sites. Meanwhile, weak sorbent-sorbate interaction is presented in the desorption experiment. There was no obvious effect of ionic strength on benzene sorption, suggesting that the sorption process is not controlled by ion-exchange or electrostatic interaction. Combined with FTIR analysis, the hydrophobic partitioning and π-π conjugative interaction are the possible sorption mechanisms of benzene on HA.

CAS / MDL: 71-43-2 110-54-3
研究领域: 环境科学 · 土壤学
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Catalysts · 2024 ·Vol. 14 ·期 5 ·288 · IF 3.8

One-Step Production of Highly Selective Ethylbenzene and Propylbenzene from Benzene and Carbon Dioxide via Coupling Reaction

Tianyun Wang,Yingjie Guan,Haidan Wu,Zhaojie Su,Jianguo Zhuang,Siyan Yan,Xuedong Zhu,Fan Yang

Utilizing carbon dioxide as a carbon source for the synthesis of olefins and aromatics has emerged as one of the most practical methods for CO2reduction. In this study, an improved selectivity of 85% for targeting products (ethylbenzene and propylbenzene) is achieved with a benzene conversion of 16.8% by coupling the hydrogenation of carbon dioxide to olefins over the bifunctional catalyst “Oxide-Zeolite” (OX-ZEO) and the alkylation of benzene with olefins over ZSM-5. In addition to investigating the influence of SAPO-34 and ZSM-5 zeolite acidity on product distribution, catalyst deactivation due to coke formation is addressed by modifying both molecular sieves to be hierarchical to extend the catalyst lifespan. Even after 100 h of operation at 400 °C, the catalysts maintained over 80% selectivity towards the target products, with benzene conversion over 14.2%. Furthermore, the pathway of propylbenzene formation is demonstrated through simple experimental design, revealing that the surface Brønsted acid sites of SAPO-34 serve as its primary formation sites. This provides a novel perspective for further investigation of the reaction network.

CAS / MDL: 69365-72-6
研究领域: 化学工程 · 环境科学
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JOURNAL OF SOLUTION CHEMISTRY · 2022 ·Vol. 51 ·期 10 ·1247-1267 · IF 2

Entrainers Selection and Vapor–Liquid Equilibrium Measurements for Separation of p-Xylene from Ethylbenzene at 101.3 kPa

Yu Yingmin,Li Min,Liu Lanmu,Li Jun,Song Yuhe

In this paper, the separation of the p-xylene and ethylbenzene was explored. The COSMO-SAC-UNIFAC model, σ-profile analysis, solvent power and selectivity were used to screen for a suitable solvent for this process. Then, 1,2,4-trichlorobenzene was selected as target solvent to extract the p-xylene from ethylbenzene. The vapor–liquid-phase equilibrium (VLE) data for binary systems of p-xylene + ethylbenzene, p-xylene + 1,2,4-trichlorobenzene, and ethylbenzene + 1,2,4-trichlorobenzene and ternary system of p-xylene + ethylbenzene + 1,2,4-trichlorobenzene were determined with a modified Rose still at atmospheric pressure (101.3 kPa) and all the binary data passed the Wisniak’s test, which accorded with the thermodynamic consistency. Three thermodynamic models, Wilson, NRTL and UNIQUAC were used to correlate the VLE data and get binary interaction parameters, then the ternary VLE data of p-xylene + ethylbenzene + 1,2,4-trichlorobenzene were estimated based on these model parameters using Aspen Plus V10. The estimation values of the three models are in good agreement with the experimental data. Moreover, the effect of 1,2,4-trichlorobenzene was analyzed and it was found to be an effective candidate extractant for the extractive distillation of ethylbenzene from mixed xylenes.

研究领域: 化学工程 · 热力学
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FUEL · 2024 · IF 6.7

Effective catalytic hydroconversion of benzyloxybenzene and oxydibenzene to cyclanes over nickel-supported Y-type zeolite catalyst: Lignite-related model compounds to high-density fuels

Zi-Chun Fan,Zhuang Li,Xiang Bai,Xian-Yong Wei,Yierxiati Dilixiati,Qian-Qian Kong,Ji Zhao,Yong-Hui Feng,Zhi-Min Zong,Jun-Long Wang

The catalytic hydroconversion (CHC) of benzyloxybenzene (BOB) and oxydibenzene (ODB), two typical lignite-related model compounds (LRMCs) representing α-Ο-4 and 4-O-5 model linkages , have been investigated using uniformly dispersed Ni 15 /HY prepared by a three-step method. The cleavage of  >CH-O- bridged bonds in BOB and partial hydrogenation of ODB are considered as a crucial first step, and the target reactions in this work are to produce complete hydrodeoxidized ring saturation products. Through the exploration of reaction mechanism, H + /H - and biatomic active hydrogen, as the main hydrogen species involved in the reaction, play an important role in the CHC of BOB and ODB. Herein, the synergic effect between the hydrogenation of nickel nanoparticles and the acidic function of Y -type zeolite improves the CHC performance, resulting in Ni 15 /HY displaying proficient catalytic activity and selectivity for the CHC of BOB and ODB. Under the optimal reaction conditions, BOB and ODB can be completely converted to cyclanes over Ni 15 /HY, and the main products are dicyclohexylmethane (57.6 %) and cyclohexane (92.4 %), respectively. The developed Ni 15 /HY can not only promote the hydroconversion of BOB and ODB to produce ring-saturated products, but also undergo the rearrangement reaction to produce two- or three-ring cyclanes, which is desirable to upgrade LRMCs to high-density hydrocarbon fuels .

CAS / MDL: 12125-02-9 7440-42-8
研究领域: 化学工程 · 燃料化学
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Catalysis Science & Technology · 2016 ·Vol. 6 ·期 8 ·2647-2652 · IF 5.287

The effect of Si/Al ratio on the catalytic performance of hierarchical porous ZSM-5 for catalyzing benzene alkylation with methanol

Hualei Hu,Jinghui Lyu,Jiayao Rui,Jie Cen,Qunfeng Zhang,Qingtao Wang,Wenwen Han,Xiaonian Li

Ethylbenzene is the major side product in benzene alkylation with methanol and it is difficult to be suppressed over hierarchical porous ZSM-5. Moreover, the separation of ethylbenzene from xylene still remains a great challenge. Our research indicated that ethylbenzene formation could be highly suppressed by changing the Si/Al ratio of the catalyst. Hierarchical porous ZSM-5 catalysts with different Si/Al ratios were prepared via reducing the amount of Al in the solvent evaporation assisted dry gel conversion method. In this method, tetra-n-propylammonium hydroxide was used as the direct agent to create micropores, and hexadecyltrimethoxysilane was added to create additional porosities by forming organic assemblies which occupied a certain space between zeolitic walls. The catalyst with a Si/Al ratio of 1800 could achieve high benzene conversion (59.5%) and high xylene selectivity (39.0%) as well as excellent suppression of ethylbenzene formation (<0.1%).

研究领域: 催化化学 · 材料科学
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JOURNAL OF CHROMATOGRAPHY A · 2025 · IF 4

Preparation and evaluation of crosslinked polystyrene-divinylbenzene stationary phase on porous silica by atom transfer radical polymerization for high performance liquid chromatography

Zhipeng Zhu,Min Zhang,Xiaohui Yan,Chenglong Shi,Bin Wang,Yanshuo Li,Dapeng Wu

A crosslinked polystyrene-divinylbenzene (PS-DVB) stationary phase was prepared onto silica gel with the pore size of 100 Å and 300 Å (SiL-PSD-10, SiL-PSD-30) by surface-initiated atom transfer radical polymerization (ATRP) for high performance liquid chromatography (HPLC) separation of alkylbenzenes, fullerites, and proteins, respectively. The SiL-PSD coating and the pore size distribution were characterized by FT-IR, TGA, and nitrogen adsorption-desorption isotherms. The crosslinking degree within stationary phase was determined in good consistency with the feeding ratio, as confirmed by RP-HPLC. It was found the SiL-PSD-10 particles could resist the harsh etching of 0.1 M NaOH for at least 6 h, while bare silica was totally dissolved and commercial C18 silica was partially dissolved under the same conditions. Under alkaline conditions (pH 11), the column bleeding rates of SiL-PSD-10 were reduced by 83 % and 96.0 % respectively compared to commercial C18 column and bare silica. Under accelerated aging conditions, SiL-PSD-10 maintained over 94 % of its initial column efficiency after exposure to 16,000 column volume of mobile phase. On SiL-PSD columns, alkylbenzenes could be separated in reversed-phase mode, and fullerite (C 60 /C 70 ) could be baseline resolved within 2 min with benzene as the mobile phase. During the continuous monitoring for 70 h, RSDs of the retention times of proteins were between 0.49 % and 1.19 %. Generally, SiL-PSD had been demonstrated to combine the excellent mechanical strength and uniform porosity of silica gel with the outstanding chemical resistance of PS-DVB, and could be used for HPLC separation across a wider pH.

研究领域: 分析化学 · 高分子科学 · 色谱学 · 材料科学
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JOURNAL OF CHROMATOGRAPHY A · 2025 · IF 4

Quantitative Analysis of Hydrogen Mass Fraction in Catalytically Reacted 1,4-Bis(phenylethynyl)benzene by Gas Chromatography-Mass Spectrometry

Lei Yu,Bo Liu,Pucheng Wang,Shuai Liu,Junjie Sheng,Yinyong Ao

1,4-Bis(phenylethynyl)benzene blended with an activated carbon-supported palladium catalyst (DEB-Pd/C) has been demonstrated as an effective hydrogen scavenger in reducing hydrogen gas accumulation within vacuum-sealed and hermetically closed systems. Accurate determination of the hydrogen mass fraction in reacted 1,4-bis(phenylethynyl)benzene is essential for guiding the replacement of hydrogen-absorbing materials. In this study, a novel method for determining the hydrogen mass fraction in reacted DEB was developed. First, the reaction products of DEB with hydrogen gas were isolated and characterized using gas chromatography-mass spectrometry (GC-MS). A correlation between the peak areas of the reaction products and the saturation level of DEB was established. The hydrogen mass fraction in the reacted DEB was precisely determined based on the relationship between DEB saturation and hydrogen content. Furthermore, the effect of O₂ on the hydrogen uptake of DEB was investigated using the developed method. The results demonstrate that this method exhibits high detection sensitivity and accuracy for determining the hydrogen mass fraction in reacted DEB, offering a reliable approach for monitoring hydrogen absorption in such systems.

研究领域: 分析化学 · 材料科学 · 化学工程
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