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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2024 · IF 4.9

In-situ growth of MIL-101(Fe) onto PET base for high-efficiency adsorption of low concentrations benzene series VOCs and easy recycling

Shu-Huan Chen,Huma Javeria,Xu-Hui Sun,Zhen-Xia Du

With the proliferation of vehicles in households, people are spending more and more time in their cars, so it is important to ensure the air quality and safety of the car. In this research, environmentally friendly, green PET@PDA@MIL-101(Fe) (PPM) was prepared by in-situ solvothermal growth and acid etching methods, which was categorized by SEM, FTIR, XRD, XPS, and BET. PPM was used to adsorb benzene, toluene, and m-xylene at low concentrations. The maximum amount of adsorption of PET@PDA@MIL-101(Fe) (PPM) for benzene, toluene, and m-xylene was 68.72 mg/g, 91.63 mg/g, and 78.47 mg/g respectively. The adsorption process of PPM is well fitted by the pseudo-first-order kinetic model and Langmuir isothermal adsorption model. Furthermore, PPM exhibited excellent toluene removal performance in simulated vehicles and excellent cycling capability in adsorption-desorption experiments. As a result, PPM can be used to treat and manage toluene volatile organic compounds (VOCs) at low concentrations.

CAS / MDL: 71-43-2 77-86-1
研究领域: 环境科学 · 材料科学 · 化学工程
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Journal of Environmental Chemical Engineering · 2024 · IF 7.4

Identification and analysis of volatile organic compound and very volatile organic compound of MDF coated with different lacquers and their health risks to humans

Weidong Wang,Jun Shen,Yu Chen,Dezong Zheng,Lin Li

Benzene, toluene, ethylbenzene and styrene released from furniture and interior decoration materials are important chemicals affecting indoor air quality and have been shown to be harmful to human health. However, little attention is paid for VVOC and their health risks. To close this gap, in April 2022, a 15-L environmental chamber, combined with multibed tube, was used for gas sampling at the Northeast Forestry University laboratory. Emissions of VOC and VVOC from MDF coated with different lacquers were investigated using thermal desorption coupled with gas chromatography-mass spectrometry. The results showed that the total concentrations of VOC and VVOC increased by 37.33%, 96.88%, and 86.45%, respectively, after MDF was coated with water-based (WB), polyurethane (PU), and nitrocellulose (NC) lacquers. The total VVOC concentration from MDF was higher than the total VOC concentration. Alcohols were the most abundant chemicals in MDF, followed by aromatics and alkanes, together accounting for more than 70% of the total. Aromatics and alkanes were the most important VOC after painting. These three lacquers inhibited some VVOC but promoted other chemicals, like benzene, toluene, ethylbenzene and tetrahydrofuran . For health impacts, the cancer risk and noncancer risk of benzene from lacquered MDF were estimated to be 4.46 × 10 −5 to 6.42 × 10 −5 and 0.19 to 0.27 respectively, indicating a probable cancer risk and no obvious noncancer risk. WB-MDF is recommended for indoor applications. This research points the need for exploring environmentally friendly solvents to replace benzene, toluene and ethylbenzene in order to reduce emissions of volatile pollutants.

研究领域: 环境科学 · 公共卫生
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2025 · IF 3.9

Enhancing Hydroxylation of Benzene to Phenol over Vanadium-Modified Hollow TS-1 Catalysts

Rui Feng,Zhou Fang,Runxi Zhang,Xiaoyan Hu,Tianbo Li,Wei Zhou,Feifei Yang,Xinlong Yan,Shijian Lu

Direct hydroxylation of benzene to phenol is a more environmentally friendly way to generate phenol compared with the traditional method. This study developed vanadium-modified hollow-structured titanium silicate-1 (TS-1) as a catalyst for the effective hydroxylation of benzene to phenol under moderate conditions using hydrogen peroxide as an oxidant. The synthesis of TS-1 zeolites has been improved using traditional hydrothermal, crystal seed, and dissolution–recrystallization techniques. Compared with conventional TS-1, hollow-structured TS-1 exhibited a higher mesopore volume and surface area. Later, vanadium doping increased the charge density associated with the framework Ti centers and acid site content. In the radical reaction process, the adsorption and activation of benzene on highly reactive Ti–OOH intermediates, as well as the improvement of performances toward benzene hydroxylation to phenol, were facilitated by the increase in the concentration of open active centers and acid and electron characteristics.

研究领域: 催化化学 · 环境科学 · 材料科学
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CHINESE JOURNAL OF CHEMICAL ENGINEERING · 2023 · IF 3.8

The extraction of aromatics using N-methylpyrrolidone: Liquid-liquid equilibrium determination and mechanism exploration

Yanjing Li,Shilong Dong,Lili Wang,Xiaoyan Sun,Wenying Zhao,Shuguang Xiang

LLE data of cyclooctane/3-methylpentane + benzene/toluene +  N -methylpyrrolidone (NMP) at 298.15 K and 313.15 K under a pressure of 101.3 kPa were measured in this work. The Othmer-Tobias and Hand equations were adopted to validate the reliability of LLE data, where the correlation coefficients ( R 2 ) were close to unity, indicating the high reliability of the experimental data. The experimental data were analyzed using the distribution coefficient ( D ) and separation factor ( S ), and the effect of NMP extracting benzene and toluene from aromatics was explored. Meanwhile, the reason for the different extraction efficiencies of benzene and toluene using NMP was analyzed by quantum chemical calculations. The NRTL and UNIQUAC thermodynamic models were used to correlate the liquid–liquid equilibrium data, and the relevant binary interaction parameters were obtained. The calculated root mean square deviation (RMSD) were all less than 0.0063, indicating that the obtained binary interaction parameters can be used to simulate and calculate the extraction of aromatics using NMP.

研究领域: 化学工程 · 物理化学
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APPLIED CATALYSIS A-GENERAL · 2020 · IF 5.006

AlCl3-catalyzed C-H p hosphination of benzene: A mechanistic study

Haodong Duan,Xiaolei Xu,Kangwei Leng,Ge Guo,Qing Yu,Xinjin Li,Yuxi Han,Jun Gao,Zhongwei Wang

The characteristics of the reaction for the preparation of dichlorophenylphosphine (DCPP) via benzene and PCl 3 in the presence of AlCl 3 were studied. Some unique characteristics were observed when a catalytic amount of AlCl 3 was used. Namely, more than one mole of DCPP was obtained per mole AlCl 3 , the reaction solution was layered, and DCPP could be directly separated. Our mechanistic study showed that benzene reacted with PCl 3 to form DCPP-AlCl 3 , and DCPP-AlCl 3 dissociated into DCPP and AlCl 3 , continuing to catalyze this reaction. This resulted in the high catalytic efficiency of AlCl 3 . The layering of the reaction solution was caused by the immiscibility of DCPP-AlCl 3 with the raw materials, greatly facilitating the dissociation process of DCPP-AlCl 3 . The formation of diphenylphosphorus chloride (DPC) was due to a continuous Friedel-Crafts reaction between DCPP and benzene. DPC cooperated with AlCl 3 to form the stable coordination compound DPC-AlCl 3 that did not dissociate and was responsible for the deactivation of AlCl 3 .

CAS / MDL: 544-76-3 71-43-2
研究领域: 有机化学 · 催化化学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2025 · IF 2.1

Isobaric Vapor–Liquid Equilibrium of Binary Mixtures of Acetophenone and 1-Phenylethanol at 3.00, 5.00, 10.00, and 15.00 kPa

Fengzhi Li,Wangfeng Cai,Yang Xiao,Yujie Yao,Yan Wang

Vapor–liquid equilibrium (VLE) data for the acetophenone (AP) and 1-phenylethanol (1-PE) binary system were measured at 3.00, 5.00, 10.00, and 15.00 kPa by using a modified Rose–Williams distiller. The thermodynamic consistency of the experimental data was verified through the Fredenslund test and Van Ness test. The data were correlated using the NRTL, UNIQUAC, and Wilson models, with root-mean-square deviations (RMSDs) for vapor composition (y1) and equilibrium temperature (T) calculated. The findings suggest that the NRTL, Wilson, and UNIQUAC models are appropriate for use in this system.

CAS / MDL: 71-43-2
研究领域: 化学工程 · 热力学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Isobaric (Vapor + Liquid) Equilibria for Methylcyclohexane with Para-, Ortho-, and Meta-Xylenes and Ethylbenzene at 101.33 kPa

Zhenxing Cai,Gengfei Yang,Hui Zhao,Xiaobo Chen,Chaohe Yang

A series of isobaric vapor–liquid equilibrium experiments were conducted on binary mixtures of methylcyclohexane with para-, ortho-, and meta-xylenes and ethylbenzene, at a pressure of 101.33 kPa, using an Othmer still equipment setup. The resulting composition of vapor and liquid phases was determined by gas chromatography, while the thermodynamic consistency of measured results was checked using the van Ness and Wisniak L–W methods. The measured equilibrium data were fitted with activity coefficient models of the nonrandom two-liquid, the Wilson, and the extended universal quasichemical, and the binary interaction parameters of these models were obtained. The vapor–liquid equilibrium diagrams were predicted by the fitted models, which matched well with experimental data.

研究领域: 化学工程 · 热力学
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TENSIDE SURFACTANTS DETERGENTS · 2023 ·Vol. 60 ·期 4 ·368-375 · IF 1

CuCl2-modified ionic liquids for alkylation of benzene with 1-dodecene

Yarou Yang,Xu Li,Jinxiang Dong

Benzene and 1-dodecene are often alkylated to produce linear alkylbenzene (LAB). LAB is the raw material for the production of linear alkylbenzene sulfonate (LAS), a very important anionic surfactant used in both industrial cleaning and commercial laundry processes, as well as in household laundry detergents. In the present study, we investigated the use of [Et 3 NH]Cl–2AlCl 3 modified with CuCl 2 as a catalyst for the alkylation of benzene with 1-dodecene, specifically looking at the effect of reaction conditions on product activity. The results showed that a conversion of 1-dodecene of 100.0 % and a selectivity of LAB of 93.79 % could be obtained when the following ideal reaction conditions were present: molar ratio of benzene/1-dodecene = 6, reaction temperature = 25 °C, reaction time = 10 min, stirring speed of 1000 rpm and addition of 5.0 mol % CuCl 2 ). The catalyst concentration was 7.0 mol %. FTIR and 31 P-TMPO-NMR measurements were performed to characterise the ionic liquid before and after the addition of CuCl 2 . After the addition of CuCl 2 , it was found that the acidity of the ionic liquid had decreased. The regeneration of the catalyst was also investigated and the cause of inactivation of the catalyst was determined. The results showed that CuCl 2 modified the ionic liquids and decreased the benzene/1-dodecene ratio, but the high product selectivity was maintained.

研究领域: 化学工程 · 催化剂科学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Isobaric (Vapor + Liquid) Equilibria for Propylene Carbonate with para-Xylene, ortho-Xylene, meta-Xylene, and Ethylbenzene at 101.33 kPa

Zhenxing Cai,Jixiang Liu,Hui Zhao,Lingyan Wang,Xiaobo Chen,Chaohe Yang

At a pressure of 101.33 kPa, isobaric vapor–liquid equilibrium data for binary mixtures of propylene carbonate with para-xylene, ortho-xylene, meta-xylene, and ethylbenzene were obtained. Via a modified Othmer still apparatus and gas chromatography, the fractions of the vapor and liquid phases at equilibrium were measured. The experimental findings were fitted with the Wilson, NRTL, and UNIQUAC activity coefficient models, and the binary parameters of these models were calculated. The fitted models predicted the vapor–liquid equilibrium, and the calculated values agreed well with the experimental results. The Wisniak L-W and van Ness methods were used to authenticate the thermodynamic consistency of the equilibrium data.

研究领域: 化学工程 · 物理化学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2025 · IF 2.1

Vapor–Liquid Equilibrium of Toluene/Heptane and Benzene/Cyclohexane Systems with Biobased Cyrene: Experimental Data and Thermodynamic Modeling

Yaqiong Zhao,Hongwei Kang,Yuming Tu,Qunsheng Li,Chencan Du,Zhongqi Ren

Separation of hydrocarbon mixtures is essential for the efficient utilization of resources in the chemical industry. In this study, we investigated the vapor–liquid equilibrium (VLE) behavior of two binary systems, toluene + heptane and benzene + cyclohexane, and examined the application of the biobased solvent, Cyrene, as an extractant in the ternary systems. The vapor–liquid-phase equilibrium data were correlated by a nonrandom two-liquid (NRTL) model, and the results showed that the addition of Cyrene significantly increased the relative volatility of the two binary systems up to 3, and the deviation of all systems was less than 5%. Compared with conventional organic solvents such as SUL, DMSO, NMP, and DMF, Cyrene not only demonstrated good separation performance but also offered significant advantages in terms of environmental sustainability. The results suggest that Cyrene has great potential as a green alternative for sustainable hydrocarbon separation processes.

研究领域: 化学工程 · 热力学 · 分离过程 · 绿色化学
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TENSIDE SURFACTANTS DETERGENTS · 2022 ·Vol. 59 ·期 1 ·39-50 · IF 1.058

Synthesis of alkylbenzenes via the alkylation of benzene using α-olefin dimers and the surfactant properties of their sulfonates

Fuwen Tan,Xu Li,Jinxiang Dong

Fischer-Tropsch syncrude prepared via the Fischer-Tropsch synthesis (FTS) using a Fe-based catalyst is featured by its high content of linear α-olefins (C 5 –C 13 ). The utilization of C 6 –C 8 α-olefins for the synthesis of alkyl benzene sulfonate surfactants was performed in the present work via dimerization, benzene alkylation, and sulfonation. The effects of the reaction conditions on benzene alkylation over a trimethyl amine hydrochloride-acidic anhydrous aluminum chloride ionic liquid catalyst (Et 3 NHCl-AlCl 3 ) have been studied in detail using C 6 α-olefin dimers as a model alkylation agent. Under the optimal reaction conditions (molar ratio of AlCl 3 to Et 3 NHCl = 2, catalyst loading = 0.29 mol %, reaction temperature = 30 °C, and molar ratio of benzene to C 6 α-olefin dimer = 10) the conversion of the C 6 α-olefin dimer was 100% and the selectivity toward the mono alkylbenzene product was 91.0%. C 6 –C 8 α-olefin dimer alkylbenzene sulfonates (C 6 –C 8 DBS) were synthesized via sulfonation using chlorosulfonic acid and characterized using Fourier Transform Infrared (FT-IR) spectroscopy and Liquid Chromatography–Mass Spectrometry (LC–MS). The surfactant properties of the C 6 –C 8 DBS, including their equilibrium and dynamic surface tension, foaming, wetting and emulsifying capabilities, were closely explored and compared with a commercial linear alkylbenzene sulfonate (LAS). The limiting surface tension ( γ CMC  = 34.62 mN m −1 ) and critical micelle concentration (CMC = 2.15 mmol L −1 ) of C 6 α-olefin dimer alkylbenzene sulfonate (C 6 -DBS) were similar to those of LAS. Upon increasing the hydrocarbon chain length, the γ CMC of C 6 -DBS, C 7 -DBS, and C 8 -DBS remained unchanged, while the CMC decreased. C 6 –C 8 -DBS exhibited foaming, emulsifying, and wetting properties comparable to LAS.

研究领域: 化学工程 · 材料科学 · 表面化学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2015 · IF 2.679

Viscosity measurements of ortho-xylene, meta-xylene, para-xylene and ethylbenzene

Xianyang Meng,Xiaoyun Gu,Jiangtao Wu,Velisa Vesovic

The compressed liquid viscosities of ortho -xylene, meta -xylene, para -xylene and ethylbenzene were measured using a vibrating-wire viscometer at different temperatures and pressures. The measurements were performed over the temperature ranges of (273 to 373)   K for o -xylene and m -xylene, (293 to 373)   K for p -xylene and (253 to 373)   K for ethylbenzene, at pressures from (0.1 to 30)   MPa, except for ethylbenzene for which the pressure range was up to 35   MPa. The combined expanded uncertainty of the reported viscosity is better than 2% with a confidence level of 0.95 ( k   =   2). The experimental data were correlated with the empirical Andrade–Tait equation which reproduced the results with the average absolute percentage deviations of (0.25, 0.15, 0.16 and 0.23)% for o -xylene, m -xylene, p -xylene and ethylbenzene, respectively. The present results are in good agreement with most of the literature values.

研究领域: 化学工程 · 物理化学
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