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Defect engineering on constructing surface active sites in catalysts for environment and energy applications

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Frontiers of chemical Science and engineering 2024年第7期18卷 11-32页

作者： Yawen Cai baowei Hu Xiangke wang School of Life Science Shaoxing UniversityShaoxing 312000China College of Environmental Science and engineering North China Electric Power UniversityBeijing 102206China

The precise engineering of surface active sites is deemed as an efficient protocol for regulating surfaces and catalytic properties of *** engineering is the most feasible option to modulate the surface active sites of *** specific active sites on the catalyst allows precise modulation of its electronic structure and physicochemical ***,we outlined the engineering of several types of defects,including vacancy defects,void defects,dopant-related defects,and defect-based single atomic *** overview of progress in fabricating structural defects on catalysts via de novo synthesis or post-synthetic modification was ***,the applications of the well-designed defective catalysts in energy conversion and environmental remediation were carefully ***,current challenges in the precise construction of active defect sites on the catalyst and future perspectives for the development directions of precisely controlled synthesis of defective catalysts were also proposed.

关键词： defect engineering vacancy void defects doping single atomic sites

Effect of Temperature on the Deactivation of a Pd-Fe/α-Al_2O_3 Catalyst for CO Coupling to Diethyl Oxalate

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Journal of Natural Gas Chemistry 2003年第4期12卷 243-246页

作者： Jingang Fang, Zhenghua Li, genhui Xu, baowei wang, Tieli XiangKey Lab of Green chemical technology, School of chemical engineering, tianjin university, tianjin 300072, china Key Lab of Green chemical technology School of Chemical Engineering Tianjin University Tianjin 300072 China

Destructive tests of the catalyst was carried out to study the effect oftemperature on the catalytic activity of CO coupling to diethyl oxalate (DEO) over a Pd-Fe/Al_2O_3catalyst. It was found that a temperature jump could cause the deactivation of the Pd-Fe/α-Al_2O_3catalyst. The catalyst deactivated at different temperatures has different characteristics. Afterdeactivation the crystal structure of α-Al_2O_3 did not change, but the Pd particle size wasenlarged. Most of the Pd^0 were oxidized to Pd^(2+), and Fe^(2+) was oxidized to Fe^(3+) on thesurface of the deactivated catalyst. The catalyst could be regenerated, but its original activitycould not be recovered completely.

关键词： accelerating deactivation test diethyl oxalate palladium carbon monoxide

PLASMA technology APPLICATION IN NATURE GAS chemical engineering

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化工学报 2000年第S1期51卷 207-210页

作者： wang baowei and Xu genhui (School of chemical engineering, State Key Laboratory of C1 chemical technology, tianjin university, tianjin 300072)

Nature gas is not only an increasing important role in energy and chemicals supplies in 21st century but also the second most important of the anthropogenic greenhouse gases. This paper reviewed the plasma technology application in natural gas chemical engineering, pointed out the problem at present and forecasted plasma concerted catalysis technology will facilitate the nature gas directly conversion into more valuable chemicals supplies economically in short after time.

关键词： plasma technology natural gas application

Phase equilibrium data prediction and process optimizationin butadiene extraction process

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Chinese Journal of chemical engineering 2024年第7期71卷 1-12页

作者： baowei Niu Yanjie Yi Yuwen Wei Fuzhen Zhang Lili wang Li Xia Xiaoyan Sun Shuguang Xiang Institute of Process System engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042China

In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by *** accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium *** results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing ***-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS *** predicted phase equilibrium data were checked for *** NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium *** device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction *** simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its *** average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and *** best phase equilibrium data and thermodynamic model parameters for butadiene extraction are *** improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process.

关键词： Butadiene extraction Phase equilibrium data Prediction methods Thermodynamic modeling Process simulation

Iron-Catalyzed Reductive C(aryl)—Si Cross-Coupling of Diaryl Ethers with Chlorosilanes

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Chinese Journal of Chemistry 2024年第6期42卷 578-584页

作者： Pei Liu baowei Wu Xuefeng Cong Jie Kong School of Chemistry and chemical engineering Northwestern Polytechnical UniversityXi'anShaanxi710072 China Institute of Molecular Plus Department of Chemistry and Haihe Laboratory of Sustainable Chemical TransformationsTianjin University92 Weijin RoadTianjin300072 China

The reductive cross-coupling between C(aryl)—O and Si—Cl bonds is of much importance as a valuable strategy for the construction of C(aryl)—Si bonds but has remained a great ***,we report a reductive cross-coupling of diaryl ethers and chlorosilanes via strong electrophilic C(aryl)—O and Si—Cl bonds cleavage by iron catalysis,which constitutes an efficient protocol for the synthesis of a range of functionalized *** combination of low cost FeCl2 as the precatalyst and iPrMgCl as the reductant shows high activity in the successive cleavage of unactivated C(aryl)—O bonds of diaryl ethers and strong electrophilic Si—Cl bonds of chlorosilanes,allowing their cross-coupling in a reductive *** low-valent iron species generated in situ by reduction of FeCl2 with iPrMgCl was proposed,which prefers to initially cleavage the C(aryl)—O bond of diaryl ethers with the chelation help of an o-amide auxiliary.

关键词： Cross-coupling Diaryl ethers Chlorosilanes C—O bond cleavage Iron catalyst 3d transition metals Selectivity Regioselectivity

Assessment of water quality using benthic diatom and macroinvertebrate assemblages:A case study in an East china canal

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Water Biology and Security 2024年第1期3卷 80-86页

作者： Xiaojun Jin Xuan Lan Heqin Sun baowei Hu Binliang wang Tongchuang engineering Design Co. Ltd.ShaoxingZhejiangChina School of Life and Environmental Sciences Shaoxing UniversityShaoxingZhejiangChina Shaoxing Jianhu Lake Research Society ShaoxingZhejiangChina Jianhu Provincial Wetland Park Management Committee ShaoxingZhejiang312000China

The East Zhejiang Canal is an artificial waterway located in the plains of East *** of its role in providing social services,it is frequently subjected to human activities affecting its *** improve the water resource management and condition of this canal,assessment of its ecological health is *** measured water quality variables and benthic diatom and macroinvertebrate assemblages to evaluate the ecological status of the *** found that the canal was eutrophic with an average chemical trophic level index of 64.3 and an average trophic diatom index of 68.1(with Nitzschia palea,Melosira varians,and Navicula rostellata,Encyonema minutum abundant).Macroinvertebrate assemblages also showed that the canal was eutrophic based on the dominance of Limnodrilus sp.A low BMWP(Biological Monitoring Working Party)score further indicated the poor water quality of the *** analysis indicated that phosphorus was the main driver of eutrophication in the ***,more attention should be paid to reduce phosphorus loadings.

关键词： Artificial canal Biomonitoring Eutrophication Multivariate analysis

Synthesis of Diethyl Oxalate by a Coupling-Regeneration Reaction of Carbon Monoxide

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Journal of Energy Chemistry 2002年第Z1期 57-62页

作者： Fandong Meng,genhui Xu,baowei wang,Xinbin Ma1. School of chemical engineering and technology, tianjin university, tianjin 300072, china 2. Luoyang Petrochemical engineering Corporation, Luoyang 471003, china[Manuscript received March 13, 2002 revised Apr

This article describes a process for the synthesis of diethyl oxalate by a coupling reaction of carbon monoxide, catalyzed by palladium in the presence of ethyl nitrite. The kinetics and mechanism of the coupling and regeneration reaction are also discussed. This paper presents the results of a scale-up test of the catalyst and the process based on an a priori computer simulation.

关键词： CO coupling diethyl oxalate kinetics and mechanism simulation scale-up test

Robust Cross-Linked Na_(3)V_(2)(PO_(4))_(2)F_(3) Full Sodium-Ion Batteries

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Energy & Environmental Materials 2024年第1期7卷 9-20页

作者： Jinqiang Gao Ye Tian Lianshan Ni baowei wang Kangyu Zou Yingchang Yang Ying wang Craig E.Banks Dou Zhang Kechao Zhou Huan Liu Wentao Deng Guoqiang Zou Hongshuai Hou Xiaobo Ji College of Chemistry and chemical engineering Central South UniversityChangsha 410083China College of Material and chemical engineering Tongren UniversityTongren 554300China Department of Chemistry The Chinese University of Hong KongShatinN.T.Hong Kong S.A.R.China Faculty of Science and engineering Manchester Metropolitan UniversityManchester UK State Key Laboratory of Powder Metallurgy Central South UniversityChangsha 410083China School of Materials Science and engineering Hunan Provincial Key Lab of Advanced Materials for New Energy Storage and ConversionHunan University of Science and TechnologyXiangtan 411201China School of Materials and engineering Zhengzhou UniversityZhengzhou 450001China

Sodium-ion batteries(SIBs)have rapidly risen to the forefront of energy storage systems as a promising supplementary for Lithium-ion batteries(LIBs).Na_(3)V_(2)(PO_(4))_(2)F_(3)(NVPF)as a common cathode of SIBs,features the merits of high operating voltage,small volume change and favorable specific energy ***,it suffers from poor cycling stability and rate performance induced by its low intrinsic ***,we propose an ingenious strategy targeting superior SIBs through cross-linked NVPF with multi-dimensional nanocarbon frameworks composed of amorphous carbon and carbon nanotubes(NVPF@C@CNTs).This rational design ensures favorable particle size for shortened sodium ion transmission pathway as well as improved electronic transfer network,thus leading to enhanced charge transfer kinetics and superior cycling *** from this unique structure,significantly improved electrochemical properties are obtained,including high specific capacity(126.9 mAh g^(-1)at 1 C,1 C=128 mA g^(-1))and remarkably improved long-term cycling stability with 93.9%capacity retention after 1000 cycles at 20 *** energy density of 286.8 Wh kg^(-1)can be reached for full cells with hard carbon as anode(NVPF@C@CNTs//HC).Additionally,the electrochemical performance of the full cell at high temperature is also investigated(95.3 mAh g^(-1)after 100 cycles at 1 C at 50℃).Such nanoscale dual-carbon networks engineering and thorough discussion of ion diffusion kinetics might make contributions to accelerating the process of phosphate cathodes in SIBs for large-scale energy storages.

关键词： dual-nanocarbon networks full sodium-ion battery ion transfer kinetics Na_(3)V_(2)(PO_(4))_(2)F_(3) NASICON structure

Distribution of Electrical Field Energy for Conversion of Methane to C_2 Hydrocarbons via Dissymmetrical Electric Field Enhanced Plasma

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Journal of Natural Gas Chemistry 2006年第2期15卷 115-121页

作者： baowei wang genhui XU Hongwei Sun Key Laboratory for Green chemical technology School of Chemical Engineering and Technology Tianjin University Tianjin 300072 China Research Institute of Petroleum Processing Beijing 100083 China

Direct conversion of methane into C2 hydrocarbons through alternating current electric field enhanced plasma was studied under room temperature, atmospheric pressure and low power conditions. The distribution of electrical field intensity and distribution of energy were calculated with software that was developed by us according to the charge simulation method. The results indicated that the energy of tip of electrode was 0.36 J/mm^3 and it was higher than the methane dissociation energy （0.0553 J/mm^3）. The methane located at this area can be activated easily. The higher-energy particles produced by dissociation collided with molecules around them and initiated consecutive reactions between free radicals and molecules. The method was proved to be valided and could be taken as a basis for the electrical field study concerned.

关键词： electrical field enhanced plasma intensity of electrical field distribution of energy