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Synthesis,Al^(3+)/Mg^(2+) Intercalation and Structure Study of Graphite-like Carbon Nitride

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Journal of Materials Science & Technology 2011年第3期27卷 245-251页

作者： Xifeng Lu Hongjun Wang Yi Yang Tao Liu Lunan Institute of coal chemical engineering Jining 272000 China national center for Quality Supervision and hlspection of coal and coal chemical Product Jining 272000 China Shangdong Sacred Sun Power Sources co. Ltd. Qufu 237100 China

Graphite-like carbon nitride （g-C3N4） was synthesized in large quantities at 300 ℃ under nitrogen by a solidstate reaction route. Furthermore, Al3＋ and Mg2＋ intercalation of g-CaN4 was performed by an electrochemical method. The starting C3N4 materials and intercalation co.pounds were characterized by X-ray powder diffraction, Fourier transform infrared spectra, thermogravimetry, transmission electron microsco.y, and X-ray photoelectron spectrosco.y. The possible structure model of intercalation co.pounds was proposed. The cation-π interactions and electrostatic interactions were used to explain the changes of microstructure and chemical bonds before and after intercalation.

关键词： Carbon nitride materials Solid state reactions Intercalation Microstructure

Integration of energy reco.ery network including recycling residual pressure energy with pinch technology

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Chinese Journal of chemical engineering 2017年第4期25卷 453-462页

作者： Jianqiang Deng Zheng Cao Dongbo Zhang Xiao Feng School of chemical engineering and Technology Xi'an Jiaotong University Shaanxi coal and chemical Technology Institute co. Ltd

Work exchange is a promising innovative technology in reco.ering residual pressure energy. However, at the systematic level, the co.prehensive utilization of different energy resources in an energy system has beco.e an issue of co.cern. In this work, a systematic approach is proposed, one that successively integrates heat, work and adjusts operation parameters. A detailed procedure for building a heat-work co.pling transfer network is provided. The synthesis mainly co.sists of co.structing a work exchange sub-network with pinch analysis based on positive displacement type work exchangers. Simultaneously, another kind of sub-network based on turbine-type work exchangers is built as a schematic co.parison. The influence of applying a positive displacement work exchanger on the system is investigated. Finally, as a case study, a renovation design of a typical rectisol process in the coal-water slurry gasification section of an ammonia plant is presented. The results show that the added work exchanger has little impact on the existing heat exchange sub-network. Moreover,extra pressure energy is reco.ered by co.pling the transfer network. It is co.cluded that the heat-work systematic design is a promising and powerful method to use energy more efficiently.

关键词： matching gasification successively slurry co.structing exchanger recycling turbine powerful innovative

Pt-Sn clusters anchored at Al_(penta)^(3+) sites as a sinter-resistant and regenerable catalyst for propane dehydrogenation

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Journal of Energy Chemistry 2022年第2期31卷 293-301页

作者： Xinyue Zhu Tinghai Wang Zhikang Xu Yuanyuan Yue Minggui Lin Haibo Zhu national engineering Research center of chemical Fertilizer Catalyst School of Chemical EngineeringFuzhou UniversityFuzhou 350002FujianChina State Key Laboratory of coal co.version Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001ShanxiChina

Pt-based catalysts are widely used in propane dehydrogenation reaction for the production of *** irreversible deactivation caused by the sintering of Pt particles under harsh co.ditions and regeneration process is a significant challenge in this ***,a series of highly ordered mesoporous Al_(2)O_(3) supports with different levels of Al3+penta sites,are fabricated and used as the support to disperse Pt-Sn_(2) *** of Pt-Sn_(2)/meso-Al_(2)O_(3) with XRD,NMR,co.IR,STEM,TG,and Raman techniques along with propane dehydrogenation-regeneration cycles test reveal the structure-stability-re generability *** co.rdinatively unsaturated pentaco.rdinate Al_(Al3+penta)^(3+)can strongly anchor Pt atoms via a formation of Al-O-Pt bond,and thus stabilize the Pt-based particles at the surface of Al_(2)O_(3).The stability and regenerability of Pt-Sn2/meso-Al_(2)O_(3) are strongly dependent on the co.tent of Al3+penta sites in the Al_(2)O_(3) structure,and a high level of Al3+penta sites can effectively prevent the agglomeration of Pt-Sn2 clusters into large Pt nanoparticles in the co.secutive dehydrogenation-regeneration *** Pt-Sn2/meso-Al_(2)O_(3)-600 with the highest level of Al_(penta)^(3+) (50.8%)delivers the best performance in propane dehydrogenation,which exhibits propane co.version of 40%and propylene selectivity above 98%at 570℃ with 10 vol%C_(3)H_(8) and 10 vol% H_(2) feed.A slow deactivation in this catalyst is ascribed to the formation of co.e,and the catalytic performance can be fully restored in the co.secutive dehydrogenation-regeneration cycles via a simple calcination treatment.

关键词： Propane dehydrogenation Pt catalyst Regeneration Sinter-resistance

Bimetallic PtSn nanoparticles co.fined in hierarchical ZSM-5 for propane dehydrogenation

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Chinese Journal of chemical engineering 2022年第1期35卷 384-391页

作者： Tianlei Wang Zhikang Xu Yuanyuan Yue Tinghai Wang Minggui Lin Haibo Zhu national engineering Research center of chemical Fertilizer Catalyst School of Chemical EngineeringFuzhou UniversityFuzhou 350002China Qingyuan Innovation Laboratory Quanzhou 362801China State Key Laboratory of coal co.version Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001China

A series of PtSn/hierarchical ZSM-5 catalysts were developed for propane dehydrogenation,in which the PtSn bimetallic particles are co.fined in the mesopores of hierarchical ZSM-5 *** synthesis of PtSn/hierarchical ZSM-5 catalysts was achieved via the loading of Pt and Sn species onto the hierarchical ZSM-5 catalysts that are obtained through a desilication of co.ventional *** PtSn/hierarchical ZSM-5 catalysts were fully characterized by XRD,N_(2) adsorption,STEM,XPS,and co.IR techniques,which reveals that highly dispersed PtSn bimetallic nanoparticles are enclosed into mesopores of hierarchical *** catalytic performance of PtSn/hierarchical ZSM-5 is greatly affected by the co.centrations of alkali solution in the desilication process and Sn/Pt ratios in PtSn bimetallic *** PtSn1.00/ZSM-5(0.8)catalyst shows the highest efficiency in propane dehydrogenation,which gives an initial co.version of 46%and selectivity of 98%at 570℃.The high efficiency in these PtSn/hierarchical ZSM-5 catalysts for propane dehydrogenation is mainly ascribed to the co.finement of PtSn particles in the mesopores of hierarchical ZSM-5 zeolite.

关键词： Hierarchical ZSM-5 Propane dehydrogenation Desilication PtSn particles

co.puter generation of detailed reaction networks in hydrocracking of Fischer-Tropsch wax

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Chinese Journal of chemical engineering 2022年第1期35卷 342-349页

作者： Jingjing Wang Wei Zhao Kunpeng Song Hongwei Xiang Liping Zhou Yong Yang Yongwang Li State Key Laboratory of coal co.version Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001China national Energy center for coal to Liquids Synfuels China Co.Ltd.Huairou DistrictBeijing 101400China University of Chinese Academy of Sciences Beijing 100049China

Fischer-Tropsch synthesis(FTS)wax is a mixture of linear hydrocarbons with carbon number from C7 to C70+.co.verting FTS wax into high-quality diesel(no sulfur and nitrogen co.tents)by hydrocracking technology is attractive in eco.omy and *** study of the hydrocracking of FTS wax in elementary step level is very challenging because of the huge amounts of reactions and species *** of reaction networks for hydrocracking of FTS wax in which the chain length goes up to C70 is described on the basis of Boolean adjacency *** of the species(including paraffins,olefins and carbenium ions)involved in the elementary steps is represented digitally by using a(N+3)N matrix,in which a group of standardized numbering rules are designed to guarantee the unique identity of the ***,the elementary steps are expressed by co.puter-aided matrix transformations in terms of proposed reaction *** memory allocation is used in species storage and a characteristic vector with nine elements is designed to store the key information of a(N+3)N matrix,which obviously reduces co.puter memory co.sumption and improves co.puting *** detailed reaction networks of FTS wax hydrocracking can be generated smoothly and accurately by the current *** work is the basis of advanced elementary-step-level kinetic modeling.

关键词： Hydrocracking Fischer-Tropsch synthesis wax Boolean adjacency matrixes Reaction network

Speeding up the prediction of C-O cleavage through bond valence and charge on iron carbides

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International Journal of Minerals,Metallurgy and Materials 2023年第10期30卷 2014-2024页

作者： Yurong He Kuan Lu Jinjia Liu Xinhua Gao Xiaotong Liu Yongwang Li Chunfang Huo James P.Lewis Xiaodong Wen Ning Li Beijing Advanced Innovation center for Materials Genome engineering Beijing Information Science&Technology UniversityBeijing 101400China State Key Laboratory of High-efficiency Utilization of coal and Green chemical engineering College of Chemistry and Chemical EngineeringNingxia UniversityYinchuan 750021China State Key Laboratory of coal co.version Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001China national Energy center for coal to Liquids Synfuels China Co.Ltd.Beijing 101400China Hong Kong Quantum AI Laboratory Ltd.University of Hong KongHong Kong 999077China

The activation of co.on iron-based materials is a key elementary reaction for many chemical *** investigate co.adsorption and dissociation on a series of Fe,Fe_(3)C,Fe_(5)C_(2),and Fe_(2)C catalysts through density functional theory *** detect dramatically different performances for co.adsorption and activation on diverse surfaces and *** activation of co.is dependent on the local co.rdination of the molecule to the surface and on the bulk phase of the underlying *** bulk properties and the different local bonding environments lead to varying interactions between the adsorbed co.and the surface and thus yielding different activation levels of the C-O *** also examine the prediction of co.adsorption on different types of Fe-based catalysts by machine learning through linear regression *** co.bine the features originating from surfaces and bulk phases to enhance the prediction of the activation energies and perform eight different linear regressions utilizing the feature engineering of polynomial *** them,a ridge linear regression model with2nd-degree polynomial feature generation predicted the best co.activation energy with a mean absolute error of 0.269 eV.

关键词： adsorption co.activation iron carbides density functional theory

Recent advances and perspectives of zinc metal-free anodes for zinc ion batteries

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International Journal of Minerals,Metallurgy and Materials 2024年第1期31卷 33-47页

作者： Jiabing Miao Yingxiao Du Ruotong Li Zekun Zhang Ningning Zhao Lei Dai Ling Wang Zhangxing He Science and Technology Innovation center of Circular Eco.omy Ha’erwusu Open-Pit Coal MineChina Shenhua Energy Co.Ltd.Ordos 010300China Research center of co.prehensive Utilization of coal Associated Resources National Energy GroupOrdos 010300China School of chemical engineering North China University of Science and TechnologyTangshan 063009China

Zinc-ion batteries(ZIBs) are reco.nized as potential energy storage devices due to their advantages of low co.t, high energy density, and environmental friendliness. However, zinc anodes are subject to unavoidable zinc dendrites, passivation, co.rosion, and hydrogen evolution reactions during the charging and discharging of batteries, beco.ing obstacles to the practical application of ZIBs. Appropriate zinc metal-free anodes provide a higher working potential than metallic zinc anodes, effectively solving the problems of zinc dendrites, hydrogen evolution, and side reactions during the operation of metallic zinc anodes. The improvement in the safety and cycle life of batteries creates co.ditions for further co.mercialization of ZIBs. Therefore, this work systematically introduces the research progress of zinc metal-free anodes in “rocking chair” ZIBs. Zinc metal-free anodes are mainly discussed in four categories: transition metal oxides,transition metal sulfides, MXene(two dimensional transition metal carbide) co.posites, and organic co.pounds, with discussions on their properties and zinc storage mechanisms. Finally, the outlook for the development of zinc metal-free anodes is proposed. This paper is expected to provide a reference for the further promotion of co.mercial rechargeable ZIBs.

关键词： zinc ion batteries anode zinc metal-free anode recent advances perspectives

Rational co.struction of high-active co.(3)O_(4) electrocatalysts for oxygen evolution reaction

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Nano Research 2023年第1期16卷 624-633页

作者： Tianyun Zhang Shichao Zhao Chuanming Zhu Jing Shi Chao Su Jiawen Yang Meng Wang Jun Li Junhui Li Pingle Liu co.ghui Wang co.lege of chemical engineering Xiangtan UniversityXiangtan 411105China State Key Laboratory of coal co.version Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001China Analytical Instrumentation center Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001China

Rational co.struction of high-efficiency electrocatalysts for oxygen evolution reaction(OER)is critical for renewable-energy technologies,but it is highly challenging to rationally regulate their surface structures to improve the OER ***,we proposed a“model-etching”strategy to investigate chemical etching of co.(3)O_(4).The cubic co.(3)O_(4)nanocrystals enclosed by well-defined facets are synthesized as model crystals,whose uniform surface structures allow us to study the etching mechanism at atomic *** kinetics study together with DFT calculations discloses that{111}facets,the highly active facets for OER,serve as etch-stop facets in the etching reaction and H_(2)SO_(4)molecules play a special role in creating surface co.^(+),the active center of *** results direct us to rationally optimize the surface structures of co.(3)O_(4) to develop highly active OER *** favorable performance of overpotential(η)and the Tafel slope decrease even to 268 mV@10 mA·cm−2 and 74 mV·dec−1,*** general,our study shows that chemical etching of model crystals co.ld help us rationally co.struct high-efficiency electrocatalysts.

关键词： co.alt oxide chemical etching high active facets oxygen evolution reaction surface structure

Structural and Magnetic Characterization of Two New co.rdination co.pounds Based on a Fluorene Derivative Ligand

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Chinese Journal of Structural Chemistry 2022年第2期41卷 64-72,I0009页

作者： YANG Qing-Feng YUE Kai WANG Zhi-Hui LAI Xiao-Yong WANG Xiao-Zhong QIN Ling State Key Laboratory of High-efficiency Utilization of coal and Green chemical engineering National Demonstration Center for Experimental Chemistry EducationCollege of Chemistry and Chemical EngineeringNingxia UniversityYinchuan 750021China Chongqing Changfeng chemical Industrial co. Ltd.Chongqing 401220China

Two new co.rdination co.pounds[co.FDC)_(2)(H_(2)O)_(2)]_(n)(1)and[Cu(FDC)_(2)(2,2?-bpy)]·DMF·H_(2)O(2)(HFDC=9-fluorenone-4-carboxylic acid,bpy=2,2?-bipyridine,DMF=N,N-dimethylformamide)were prepared by the reactions of co.responding metal salts with a fluorene derivative ligand of *** co.pounds were thoroughly analyzed by X-ray single-crystal diffraction,elemental analysis,IR spectra,PXRDand thermal *** 1 features a 1D *** two kinds of O?H···O hydrogen bonds,such 1Dchains self-assemble into a 3D supramolecular structure stabilized by the offset face-to-faceπ···π*** 2 features a dinuclear structure which,via O?H···O and C?H···O hydrogen bonds,self-assembles into a 2D supramolecular layer strengthened by strong face-to-faceπ···π*** variable-temperature magnetic susceptibilities of 1 and 2 indicate weak antiferromagnetic interactions between the co.II)and Cu(II)metal ions.

关键词： low-dimensional co.rdination co.pounds fluorene derivative magnetic properties