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O_(2) adsorption on Fe_(3)O_(4) (110) surface and effect of gangue element Al doping: combined study of binding experiment and ab initio molecular dynamics

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Journal of Iron and Steel Research International 2024年第4期31卷 810-827页

作者： Zheng-jian Liu Hui-qing Jiang Yao-zu Wang Jian-liang Zhang hong-mei Qiao An-yang Zheng Fang-yu guo School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China School of Intelligence Science and Technology University of Science and Technology BeijingBeijing 100083China Beijing Shougang Co. Ltd.Qian'an 064404HebeiChina Department of Physics National University of Defense TechnologyChangsha 410128HunanChina

At high temperature,the chemical reaction mechanism at the interface of magnetite and the influence mechanism of gangue element Al on the oxidation performance of magnetite are not *** addition,due to the limitation of existing experimental equipment,it is difficult to clarify the interface reaction mechanism in the oxidation process and the influence mechanism of Al on the surface oxidation reaction of Fe_(3)O_(4) at an atomic scale at high *** surface oxidation reaction mechanism of magnetite and the influence mechanism of Al on the oxidation of magnetite were studied by experiments and AIMD(ab initio molecular dynamics).The experimental results show that the existence of Al_(2)O_(3) will reduce the initial oxidation temperature and comprehensive oxidation performance of *** AIMD results show that aluminum can accelerate the interface reaction rate of Fe_(3)O_(4) in the high-temperature oxidation atmosphere,but the strong Al-O binding ability is not conducive to the transfer of O atoms in the oxidation process.

关键词： Ironmaking Magnetite oxidation Interface reaction Adsorption-Gangue aluminum AIMD

Density functional theory study of B- and Si-doped carbons and their adsorption interactions with sulfur compounds

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Carbon Energy 2024年第2期6卷 195-208页

作者： Peng guo hong Zhang Shuliang Dong Libao An College of Mechanical Engineering North China University of Science and TechnologyTangshanHebeiChina College of Life Sciences North China University of Science and TechnologyTangshanHebeiChina

Understanding the adsorption interactions between carbon materials and sulfur compounds has far-reaching impacts,in addition to their well-known important role in energy storage and conversion,such as lithium-ion *** this paper,properties of intrinsic B or Si single-atom doped,and B-Si codoped graphene(GR)and graphdiyne(GDY)were investigated by using density functional theory-based calculations,in which the optimal doping configurations were explored for potential applications in adsorbing sulfur *** showed that both B or Si single-atom doping and B-Si codoping could substantially enhance the electron transport properties of GR and GDY,improving their surface ***,B and Si atoms displayed synergistic effects for the codoped configurations,where B-Si codoped GR/GDY exhibited much better performance in the adsorption of sulfurcontaining chemicals than single-atom doped *** addition,results demonstrated that,after B-Si codoping,the adsorption energy and charge transfer amounts of GDY with sulfur compounds were much larger than those of GR,indicating that B-Si codoped GDY might be a favorable material for more effectively interacting with sulfur reagents.

关键词： adsorption density functional theory doping graphdiyne graphene sulfur compounds

INVESTIGATION ON THE BINDING INTERACTION BETWEEN LONG-CHAIN ORGANIC CHEMICALS AND HUMAN SERUM ALBUMIN

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INVESTIGATION ON THE BINDING INTERACTION BETWEEN LONG-CHAIN ...

Enhanced corrosion resistance of epoxy resin coating via addition of CeO_(2) and benzotriazole

第十二届北京分析测试学术报告会暨展览会(BCEIA 2007)

作者： Yanmin CHEN liang-hong guo State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-environmental Sciences Chinese Academy of Sciences

Perfluorooctane sulfonates(PFOS)are a class of organic compounds that are toxic,persistent in the environment,and able to transport over the long *** to their structural similarity to long-chain fatty acids,PFOS are suspected to bind to human serum albumin(HSA)in the *** confirmed,the binding interaction would have a strong implication on their toxicity in vivo.

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Chinese Journal of Chemical Engineering 2024年第3期67卷 89-96页

作者： Xu Han Ruijie guo Baolong Niu hong Yan College of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan 030024China Key Laboratory of Interface Science and Engineering in Advanced Materials Ministry of EducationTaiyuan University of TechnologyTaiyuan 030024China

The use of fillers to enhance the corrosion protection of epoxy resins has been widely *** this work,cerium dioxide(CeO_(2))and benzotriazole(BTA)were introduced into an epoxy resin to enhance the corrosion resistance of Q235 carbon *** electron microscopy results indicated that the CeO_(2) grains were rod-like and ellipsoidal in shape,and the distribution pattern of BTA was analyzed by energy dispersive *** dynamic potential polarization curve proved the excellent corrosion resistance of the composite epoxy resin with CeO_(2) and BTA co-addition,and electrochemical impedance spectroscopy test analysis indicated the significantly enhanced long-term corrosion protection performance of the composite *** the optimal protective performance was provided by the coating containing 0.3%(mass)CeO_(2) and 20%(mass)BTA,which was attributed to the barrier performance of CeO_(2) particles and the chemical barrier effect of *** formation of corrosion products was analyzed using X-ray *** addition,the corrosion resistance mechanism of the coating was also discussed in detail.

关键词： Benzotriazole Cerium dioxide Corrosion resistance Carbon steel Epoxy resin coating Preparation

Middle Devonian ostracods from Jiwozhai patch reef(Dushan,Guizhou Province,South China):Biostratigraphic and palaeoecological implication

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Journal of Palaeogeography 2024年第3期13卷 581-593页

作者： Jun-Jun Song Jia-Yuan Huang Wen guo Kun liang Yu-Cong Sun Zhi-hong Wang Wen-Kun Qie State Key Laboratory of Palaeobiology and Stratigraphy Nanjing Institute of Geology and PalaeontologyChinese Academy of SciencesNanjing 210008Jiangsu ProvinceChina Hubei Key Laboratory of Paleontology and Geological Environment Evolution Wuhan Center of China Geological SurveyWuhan 430205Hubei ProvinceChina University of Chinese Academy of Sciences NanjingNanjing 211135Jiangsu ProvinceChina

The Middle Devonian ostracods from the Jiwozhai patch reef in Dushan, Guizhou Province, South China were described for the first time in this study. Twenty-nine species belonging to 20 genera were identified and figured, including a new species named Wangshangkia jiwozhaiensis sp. nov. The ostracod fauna in the Jiwozhai patch reef represents a Givetian age. The ostracod assemblage belongs to the smooth-podocopid association, which is also ecologically equivalent to the Eifelian Mega-Assemblage Ⅲ. This association is indicative of shallow open-marine environments. The Jiwozhai patch reef fauna is primarily comprised of suspension feeders, including filter-feeding ostracods, corals, brachiopods and bryozoans. Ostracods from the Jiwozhai patch reef were compared to the ostracod faunas from Laurentia-Baltica at generic level, which reveals limited faunal exchanges between South China and Laurentia-Baltica during the Middle Devonian.

关键词： Ostracods Givetian Jiwozhai patch reef Dushan Palaeoecology

Method for rapid warning and activity concentration estimates in online waterγ-spectrometry systems

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Nuclear Science and Techniques 2024年第3期35卷 1-12页

作者： Meng Wang Yi Gu Mao-Lin Xiong liang-Quan Ge Qing-Xian Zhang guo-Qiang Zeng Heng Lu Sheng-liang guo College of Nuclear Technology and Automation Engineering Chengdu University of TechnologyChengdu 610059China Applied Nuclear Technology in Geosciences Key Laboratory of Sichuan Province (Chengdu University of Technology)Chengdu 610059China Chengdu New Ray Technology Co.Ltd Chengdu 610052China

Onlineγ-spectrometry systems for inland waters,most of which extract samples in situ and in real time,are able to produce reliable activity concentration measurements for waterborne radionuclides only when they are distributed relatively uniformly and enter into a steady-state diffusion regime in the measurement *** protect residents’health and ensure the safety of the living environment,better timeliness is required for this measurement *** address this issue,this study established a mathematical model of the online waterγ-spectrometry system so that rapid warning and activity estimates can be obtained for water under non-steady-state(NSS)*** addition,the detection efficiency of the detector for radionuclides during the NSS diffusion process was determined by applying the computational fluid dynamics technique in conjunction with Monte Carlo *** this basis,a method was developed that allowed the online waterγ-spectrometry system to provide rapid warning and activity concentration estimates for radionuclides in *** analysis of the NSS-mode measurements of^(40)K radioactive solutions with different activity concentrations determined the optimum warning threshold and measurement time for producing accurate activity concentration estimates for *** experimental results show that the proposed NSS measurement method is able to give warning and yield accurate activity concentration estimates for radionuclides 55.42 and 69.42 min after the entry of a 10 Bq/L^(40)K radioactive solution into the measurement chamber,*** times are much shorter than the 90 min required by the conventional measurement ***,the NSS measurement method allows the measurement system to give rapid(within approximately 15 min)warning when the activity concentrations of some radionuclides reach their respective limits stipulated in the Guidelines for Drinking-water Quality of the WHO,suggesting that this method con

关键词： Water radioactivity monitoring Dynamic detection efficiency Rapid warning Activity estimation

Tunable luminescence of Bi^(3+)/Eu^(3+)-doped SiO_(2)-Al_(2)O_(3)-MCO_(3)(M=Ca,Sr,Ba) glasses for WLED

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Journal of Rare Earths 2024年第9期42卷 1652-1657,I0001页

作者： Falin Zhang Xiaoying liang Rongfei Wei Hai guo Fangfang Hu Department of Physics Zhejiang Normal UniversityJinhua321004China

In this work,a group of Bi^(3+)/Eu^(3+)-doped SiO2-Al_(2)O_(3)-MCO_(3)(M=Ca,Sr,Ba) glasses were fabricated through melt-quenching *** structure and photoluminescence characters were studied via Xray diffraction(XRD),UV-Vis transmission spectra(TRS),excitation spectra,emission spectra and decay *** XRD results show that no nano-crystal phase forms in glass matrix with different doping concentrations of Bi^(3+)and Eu^(3+)*** regulating optical alkalinity value,the intensity of Bi^(3+)ions increases and the peak position shifts to red *** Bi^(3+)/Eu^(3+) co-doped glasses show a blue-white-yellow-red luminescence by changing concentration of Eu^(3+) *** transfer efficiency from Bi^(3+) to Eu^(3+) can reach as high as 10.54%.At 423 K, the emission intensity of 55SiO_(2)-10Al_(2)O_(3)-35BaO-0.25Bi_(2)O_(3)(GBE0.5) is 31.1% of that at 308 ***,the activation energy of the glass matrix is 0.251 *** results suggest that these Bi^(3+)/Eu^(3+) co-doped glass samples possess potential application in LED field.

关键词： Bi^(3+) Eu^(3+) Glass White light-emitting diode Energy transfer Rare earths

Particle residence time distribution and axial dispersion coefficient in a pressurized circulating fluidized bed by using multiphase particle-in-cell simulation

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Chinese Journal of Chemical Engineering 2024年第5期69卷 167-176页

作者： Jinnan guo Daoyin Liu Jiliang Ma Cai liang Xiaoping Chen Key Laboratory of Energy Thermal Conversion and Control of Ministry of Education Southeast UniversityNanjing 210096China

The particle residence time distribution(RTD)and axial dispersion coefficient are key parameters for the design and operation of a pressurized circulating fluidized bed(PCFB).In this study,the effects of pressure(0.1-0.6 MPa),fluidizing gas velocity(2-7 m·s^(-1)),and solid circulation rate(10-90 kg·m^(-2)·s^(-1))on particle RTD and axial dispersion coefficient in a PCFB are numerically investigated based on the multiphase particle-in-cell(MP-PIC)*** details of the gas-solid flow behaviors of PCFB are *** on the gas-solid flow pattern,the particles tend to move more orderly under elevated *** an increase in either fluidizing gas velocity or solid circulation rate,the mean residence time of particles decreases while the axial dispersion coefficient *** an increase in pressure,the core-annulus flow is strengthened,which leads to a wider shape of the particle RTD curve and a larger mean particle residence *** back-mixing of particles increases with increasing pressure,resulting in an increase in the axial dispersion coefficient.

关键词： Pressurized circulating fluidized bed MP-PIC method Residence time distribution Axial dispersion coefficient

Design Strategy of Diagonal Compressors in Compressed Air Energy Storage System

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Journal of Thermal Science 2024年第3期33卷 872-887页

作者： ZHANG Yuxin ZUO Zhitao guo Wenbin liang Qi CHEN Haisheng Institute of Engineering Thermophysics Chinese Academy of SciencesBeijing100190China University of Chinese Academy of Sciences Beijing100049China National Energy Large Scale Physical Energy Storage Technologies R&D Center of Bijie Bijie551700China Nanjing Institute of Future Energy System IETCASNanjing211135China

As a kind of large-scale physical energy storage,compressed air energy storage(CAES)plays an important role in the construction of more efficient energy system based on renewable energy in the *** with traditional industrial compressors,the compressor of CAES has higher off-design performance *** the perspective of design,it needs to pay attention not only to the performance of the design point,but also to the performance of all the stable working ***,from the previous literature,no diagonal compressor was used in CAES which can meet the requirements,which also reflects the design program can be further ***,this paper studies the design strategy of high efficient diagonal compressor for large-scale CAES,and gives the complete strategy algorithms used for different program *** pressure ratio,isentropic efficiency and stable working range are comprehensively *** the design process,the criteria for the key parameters of the diagonal flow angle of the diagonal compressor are given for the first *** results show that the isentropic efficiency at the design point is 92.7%,the total pressure ratio is1.97,and the stable working range exceeds 20%,which meets the design requirements of the compressor for CAES and exceeds the overall performance of the previous compressors in the entire working range.

关键词： compressed air energy storage design strategy diagonal compressor optimal selection design procedure