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Computer Modeling in Engineering & Sciences 2015年第1期104卷 41-68页

作者： f.Z.Chen h.f.qiang W.R.Gao 601 Staff Room Xi’an Hi–Tech InstituteXi’anShanxiPRCPC 710025

A coupled method describing gas–solid two-phase flow has been proposed to numerically study the bubble formation at a single orifice in gas-fluidized *** particles are traced with smoothed particle hydrodynamics,whereas gas phase is discretized by finite volume *** force,gas pressure gradient,and volume fraction are used to couple the two *** effect of injection velocities,particle sizes,and particle densities on bubble growth is analyzed using the coupled *** simulation results,obtained for two-dimensional geometries,include the shape and diameter size of a bubble as a function of time;such results are compared with experimental data,previous numerical results,and other approximate model predictions reported in the ***,the flow profiles of gas and particle phases and the temperature distribution by the heat transfer model around the forming bubble are also *** results show that the coupled method efficiently describes of the bubble formation in fluidized *** proposed method is applicable for solving gas–solid two-phase flow in fluidization.

关键词： coupled method smoothed particle hydrodynamics finite volumemethod bubble formation heat transfer fluidization

Electrocatalytic nitrite reduction to ammonia on isolated bismuth alloyed ruthenium

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Journal of Energy Chemistry 2025年第1期100卷 369-376页

作者： Shiyao Shang fuzhou Wang Zeyi Sun Chaofan qiang Ke Chu School of Materials Science and Engineering Lanzhou Jiaotong UniversityLanzhou 730070GansuChina

Electrochemical reduction of NO_(2)-to Nh_(3)(NO_(2)-RR) is recognized as an appealing approach for achieving renewable Nh_(3)synthesis and waste NO_(2)-***,we report isolated Bi alloyed Ru (Bi1Ru) as an efficient NO_(2)-RR *** calculations and in situ electrochemical measurements reveal the creation of Bi1-Ru dual sites which can remarkably promote NO_(2)-activation and suppress proton adsorption,while accelerating the NO_(2)-RR protonation energetics to render a high NO_(2)--to-Nh_(3)conversion ***,Bi1Ru assembled in a flow cell delivers an Nh_(3)yield rate of 1901.4μmol h^(-1)cm^(-2)and an Nh_(3)-faradaic efficiency of 94.3%at an industrial-level current density of 324.3 mA cm^(-2).This study offers new perspectives for designing and constructing p-block single-atom alloys as robust and high-current-density NO_(2)-RR catalysts toward the ammonia electrosynthesis.

关键词： Electrocatalytic reduction of NO_(2)-to Nh_(3) Theoretical computations In situel ectrochemical measurements p-Block single-atom alloys

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Ti^(3+)/Ti^(4+)and Co^(2+)/Co^(3+)redox couples in Ce-doped Co-Ce/TiO2 for enhancing photothermocatalytic toluene oxidation

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Journal of Environmental Sciences 2025年第3期149卷 164-176页

作者： Guanghui Li Xiaolan Li Xinhui hao qiang Li Meng Zhang hongpeng Jia Xiamen Key Laboratory of Materials for Gaseous Pollutant Control Institute of Urban EnvironmentChinese Academy of SciencesXiamen 361021China Key Laboratory of Urban Pollutant Conversion Institute of Urban EnvironmentChinese Academy of SciencesXiamen 361021China CAS Center for Excellence in Regional Atmospheric Environment Institute of Urban EnvironmentChinese Academy of SciencesXiamen 361021China University of Chinese Academy of Sciences Beijing 100049China

Cerium and cobalt loaded Co-Ce/TiO_(2)catalyst prepared by impregnation method was investigated for photothermal catalytic toluene *** on catalyst characterizations(XPS,EPR and h2-TPR),redox cycle between Co and TiO_(2)(Co^(2+)+Ti^(4+)↔Co^(3+)+Ti^(3+))results in the formation of Co^(3+),Ti^(3+)and oxygen vacancies,which play important roles in toluene catalytic oxidation *** introduction of Ce brings in the dual redox cycles(Co^(2+)+Ti^(4+)↔Co^(3+)+Ti^(3+),Co^(2+)+Ce4+↔Co^(3+)+Ce3+),further promoting the elevation of reaction sites *** full spectrum irradiation with light intensity of 580mW/cm^(2),Co-Ce/TiO_(2)catalyst achieved 96%of toluene conversion and 73%of CO_(2)yield,obviously higher than Co/P25 and Co/TiO_(2).Co-Ce/TiO_(2)efficiently maintains 10-hour stability test under water vapor conditions and exhibits better photothermal catalytic performance than counterparts under different wavelengths *** catalytic reaction displays improved activities compared with thermal catalysis,which is attributed to the promotional effect of light including photocatalysis and light activation of reactive oxygen species.

关键词： Photothermal catalysis Redox cycle Oxygen vacancy VOCs Titanium dioxide

Copper-catalyzed C–C bond cleavage coupling with C≡N bond formation toward mild synthesis of lignin-based benzonitriles

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Journal of Environmental Sciences 2025年第5期151卷 505-515页

作者： Qi Luo Shenglong Tian Qian qiang fei song Wentao Su haiyan he Qingda An Changzhi Li Liaoning Key Lab of Lignocellulose Chemistry and BioMaterials Liaoning Collaborative Innovation Center for Lignocellulosic BiorefinerySchool of Light Industry and Chemical EngineeringDalian Polytechnic UniversityDalian 116034China CAS Key Laboratory of Science and Technology on Applied Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China University of Chinese Academy of Science Beijing 100049China

N-participated lignin depolymerization is of great importance for the transformation of waste lignin into value-added *** vast majority of developed strategies employ organic amines as nitrogen source,and considerablemethods rely on excessive use of strong base,which suffers severe environmental ***,benzonitrile derivatives are synthesized from oxidized ligninβ-O-4 model compounds in the presence of solid nitrogen source(Nh_(4))_(2)CO_(3)under mild,base-free conditions over commercially available copper *** studies suggest the transformation undergoes a one-pot,highly coupled cascade reaction path involving oxidative C-C bond cleavage and in-situ formation of C≡N *** which,Cu(OAc)2 catalyzes the transfer of hydrogen from C_(β)(C_(β)-h)to C_(α),leading to the cleavage of C_(α)-C_(β)bonds to offer benzaldehyde derivative,this intermediate then reacts in-situ with(Nh_(4))_(2)CO_(3)to afford the targeted aromatic nitrile *** iodide(TBAI),acting as a promoter,plays a key role in breaking the C_(α)-C_(β)bonds to form the intermediate benzaldehyde *** this protocol,the feasibility of the production of value-added syringonitrile from birchwood lignin has been *** transformation provides a sustainable approach to benzonitrile chemicals from renewable source of lignin.

关键词： Lignin β-O-4 model compounds Benzonitrile derivatives Copper catalyst Mild conditions

AlO2: A novel two-dimensional material with a high negative Poisson's ratio for the adsorption of volatile organic compounds

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Chinese Chemical Letters 2025年第02期36卷 557-563页

作者： Xinghong Cai qiang Yang Yao Tong Lanyin Liu Wutang Zhang Sam Zhang Min Wang Chongqing Key Laboratory for Advanced Materials and Technologies of Clean Energies School of Materials and EnergySouthwest University BatteroTech Co. Ltd. School of Astronautics Harbin Institute of Technology Zhengzhou Research Institute Harbin Institute of Technology

We propose and investigate a novel stable two-dimensional（2D） AlO2with anomalous stoichiometric ratios based on first-principles calculation. 2D AlO2has metallic properties. It possesses the rare in-plane and out-of-plane negative Poisson's ratio（NPR） phenomenon, originating from its special sawtooth-like structure. The absolute value of the NPR decreases as the number of layers increases. The adsorption of volatile organic compounds（VOCs） including Ch2O, C2h3Cl and C6h6by AlO2exhibit small adsorption distance, large adsorption energy, large charge transfer and significant density of states（DOS） changes,indicating the presence of strong interactions. The desorption time of each gas molecule on the AlO2surface is also evaluated, and the results further suggest that the desorption of VOCs can be controlled by changing the temperature to achieve the recycling of AlO2. These interesting properties make 2D AlO2a promising material for electronic, mechanical and sensing applications for VOCs.

关键词： AlO2 first-principles calculations Negative Poisson's ratio Two-dimensional material VOCs

Wnt2bb signaling promotes pharyngeal chondrogenic precursor proliferation and chondrocyte maturation by activating Yap expression in zebrafish

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Journal of Genetics and Genomics 2025年第2期52卷 220-230页

作者： Xiaojuan Guo Liping Yang Yujie Wang Mengna Yuan Wenqing Zhang Xinyu he qiang Wang State Key Laboratory of Membrane Biology Institute of ZoologyChinese Academy of SciencesBeijing 100101China University of Chinese Academy of Sciences Beijing 100101China Division of Cell Developmental and Integrative BiologySchool of MedicineSouth China University of TechnologyGuangzhouGuangdong 510006China Innovation Centre of Ministry of Education for Development and Diseases The Sixth Affiliated HospitalSchool of MedicineSouth China University of TechnologyGuangzhouGuangdong 510006China

Pharyngeal cartilage morphogenesis is crucial for the formation of craniofacial *** neural crest cells are specified at the neural plate border,migrate to pharyngeal arches,and differentiate into pharyngeal chondrocytes,which subsequently flatten,elongate,and stack like coins during *** the developmental processes prior to chondrocyte maturation have been extensively studied,their subsequent changes in morphology and organization remain largely ***,we show that wnt2bb is expressed in the pharyngeal ectoderm adjacent to the chondrogenic precursor cells in *** of Wnt2bb leads to a reduction in nuclearβ-catenin,which impairs chondrogenic precursor proliferation and disrupts chondrocyte morphogenesis and organization,eventually causing a severe shrinkage of pharyngeal ***,the decrease ofβ-catenin in wnt2bb^(-/-)mutants is accompanied by the reduction of Yap *** of Yap can restore the proliferation of chondrocyte progenitors as well as the proper size,shape,and stacking of pharyngeal *** findings suggest that Wnt/β-catenin signaling promotes Yap expression to regulate pharyngeal cartilage formation in zebrafish.

关键词： Wnt/β-catenin signaling YAP Wnt2bb Chondrocyte maturation Pharyngeal cartilage Zebrafish

Pilot-scale testing on catalytic hydrolysis of carbonyl sulfur combined with absorption-oxidation of h_(2)S for blast furnace gas purification

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Journal of Environmental Sciences 2025年第5期151卷 360-372页

作者： Yuting Lin Yuran Li Bin Wang Jinglei Tian hongqiang Liu Yiren Li Zhicheng Xu qiang Cao Tingyu Zhu CAS Key Laboratory of Green Process and Engineering Institute of Process EngineeringInnovation Academy for Green ManufactureChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100190China hBIS Group Co. Ltd.Shijiazhuang 050023China Center for Excellence in Regional Atmospheric Environment Institute of Urban EnvironmentChinese Academy of SciencesXiamen 361021China

About 70%of the flue gas in the iron-steel industry has achieved multi-pollutant ultra-low emissions in China until 2023,and then the blast furnace gas purification has become the control step and *** research group has designed and constructed the world’s first blast furnace gas desulfurization pilot plant with the scale of 2000 Nm^(3)/h in October *** pilot plant is a two-step combined desulfurization device including catalytic hydrolysis of carbonyl sulfur(COS)and absorption-oxidation of h_(2)S,continuously running for 120 *** the hydrolysis system,one reason for catalyst deactivation has been verified from the sulfur *** in blast furnace gas can be hydrolyzed on the hydrolysis catalyst to produce the nitrogen deposition,which is one of the reasons for catalyst deactivation and has never been found in previous *** deposition forms of S and N elements are determined,S element forms elemental sulfur and sulfate,while N element forms-Nh_(2)and Nh_(4)^(+).In the absorption-oxidation system,the O_(2)loading and the residence time have been optimized to control the oxidation of hS^(−)to produce elemental sulfur instead of by-product S_(2)O_(3)^(2−).The balance and distribution of S and N elements have been calculated for thewholemulti-phase system,approximately 84.4%of the sulfur is converted to solid sulfur product,about 1.3%of the sulfur and 19.2%of N element are deposited on the hydrolysis *** pilot plant provides technical support formulti-pollutant control of blast furnace.

关键词： Blast furnace gas Carbonyl sulfur hydrogen sulfide hydrogen cyanide hydrolysis and oxidation Activated carbon

Mechanism study of the molluscicide candidate PBQ on Pomacea canaliculata using a viscosity-sensitive fluorescent probe

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Chinese Chemical Letters 2025年第1期36卷 447-452页

作者： Lanyun Zhang Weisi Wang Yu-qiang Zhao Rui huang Yuxun Lu Ying Chen Liping Duan Ying Zhou Yunnan Characteristic Plant Extraction Laboratory College of Chemical Science and TechnologyYunnan UniversityKunming 650091China National Institute of Parasitic Diseases Chinese Center for Disease Control and PreventionChinese Center for Tropical Diseases ResearchWHO Centre for Tropical DiseasesNational Key Laboratory of Inteligent Tracking and Forecasting for Infectious DiseasesKey Laboratory on Parasite and Vector Biology MinistryofHealthShanghai200025China

PBQ[1-(4-chlorophenyl)-3-(pyridin-3-yl)urea],an enormous potent molluscicide,showed excellent Pomacea canaliculata(***)control activity and low toxicity for other aquatic organisms,but its snail-killing mechanisms are still not fully *** employed an optical method to elucidate PBQ action via a novel fluorescent viscosity probe,*** the viscosity in the test solutions increased,compared with that in pure ethanol,a 54-fold fluorescence intensity enhancement of NCV was observed in 310 cP of 90%***,NCV successfully exhibited a selective fluorescence response towards monensin-induced cellular viscosity changes in hepG2 *** liver,stomach,and foot plantar of the tested snails were frozen and sectioned for fluorescent imaging experiments after the treatment with different PBQ concentrations over various times.A significant fluorescent increase in the snail's liver was observed upon exposure to 0.75 mg/L PBQ for 72 h,which highlighted an increase in *** and eosin(hE)staining further supported PBQ-induced liver damage with a viscosity increase in *** study provides a new rapid optical visualization method to study the killing mechanisms of PBQ and may help discover new chemicals that control snail populations.

关键词： fluorescence sensor Viscosity Pomacea canaliculata Molluscicide mechanisms Bio-imaging

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Advancing the recovery of iron and rare earth elements from the solid waste at Bayan Obo

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International Journal of Mining Science and Technology 2025年第2期35卷 295-306页

作者： Zhao, Na Zhang, qiang Ma, hongwei Sun, Yongsheng Gao, Peng Cao, Zhao Zhang, Zhenyue School of Resources and Civil Engineering Northeastern University Shenyang 110819 China Mineral Processing Plant of Jinchuan Group Nickel Cobalt Co. Ltd. Jinchang 737100 China School of Mining and Coal Engineering Inner Mongolia University of Science and Technology Baotou 014010 China School of Chemistry and Environmental Engineering Wuhan Institute of Technology Wuhan 430074 China

The storage of solid waste in Bayan Obo has resulted in significant resource wastage and environmental concerns. In this study, an efficient process was developed to recover iron and rare earth elements (REEs) from this waste by processes of hydrogen-based mineral phase transformation (hMPT), magnetic separation, and flotation. Under optimal hMPT conditions (525 °C, 12.5 min, and 30% h2 concentration), an iron concentrate with a Tfe grade of 64.09% and a recovery of 95.33% was obtained. The magnetic properties of the solid waste were greatly enhanced by hMPT, allowing the effective magnetic separation of iron minerals. further optimization of the flotation process resulted in a REEs concentrate with a rare earth oxide (REO) grade of 65%–70% and a REEs recovery of 60%–65%. hematite was reduced to magnetite during hMPT, and bastnaesite was decomposed to REEs oxides and fluorides, and the particle structure was significantly destroyed. however, changes in monazite, fluorite, and barite were minimal. © 2025

关键词： flotation hydrogen-based mineral phase transformation Microstructure evolution Reduction characteristics Surface chemistry

Magnetron sputtered nickel oxide with suppressed interfacial defect states for efficient inverted perovskite solar cells

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Journal of Energy Chemistry 2025年第1期100卷 348-355页

作者： Guoqiang Ma Qin Tan Zhaoning Li Jingwei Xiu Jiafeng Wang Tianle Cheng Dong he qiang Sun Xuhang Ma francesco Lamberti Zhubing he Department of Materials Science and Engineering Institute of Innovative Materials(I2M)Shenzhen Key Laboratory of Full Spectral Solar Electricity Generation(FSSEG)Southern University of Science and Technology(SUSTech)Shenzhen 518055GuangdongChina Core Research facilities Southern University of Science and TechnologyShenzhen 518055GuangdongChina Department of Chemical Sciences Department of Industrial EngineeringUniversity of PadovaVia Gradenigo 6a35131 PadovaItaly

Widely used spin-coated nickle oxide (NiOx) based perovskite solar cells often suffer from severe interfacial reactions between the NiOxand adjacent perovskite layers due to surface defect states,which inherently impair device performance in a long-term view,even with surface molecule *** this study,we developed high-quality magnetron-sputtered NiOxthin films through detailed process optimization,and compared systematically sputtered and spin-coated NiOxthin film surfaces from materials to *** sputtered NiOxfilms exhibit improved crystallinity,smoother surfaces,and significantly reduced Ni3+or Ni vacancies compared to their spin-coated ***,the interface between the perovskite and sputtered NiOxfilm shows a substantially reduced density of defect *** solar cells (PSCs) fabricated with our optimally sputtered NiOxfilms achieved a high power conversion efficiency (PCE) of up to 19.93%and demonstrated enhanced stability,maintaining 86.2% efficiency during 500 h of maximum power point tracking under one standard sun ***,with the surface modification using (4-(2,7-dibromo-9,9-dimethylacridin-10(9h)-yl)butyl)p hosphonic acid (DMAcPA),the device PCE was further promoted to 23.07%,which is the highest value reported for sputtered NiOxbased PSCs so far.

关键词： Nickle oxide Magnetron sputter Defect Stability Perovskite solar cell

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