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The Quantum Scattering Study for Ion-pair Formation Reaction Na+I_2→Na^+I_2^- with the LCAC-SW method

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Chinese Chemical Letters 1999年第4期10卷 325-326页

作者： Wan Yong MA Da Cheng FENG Zheng Ting CAI cong hao deng(Institute of Theoretical Chemistry, Shandong University, Jinan 250100) Institute of Theoretical Chemistry Shandong University Jinan 250100 China

The selected-state probabilities of collinear ion-pair formation process Na+I2→Na++I2-on Aten-Laming-Los two-State potential energy surface have been calculated by using LCAC-SW method. The results show that reaction probabilities are oscillatory with collision energy; the threshold energy of this ioniZation reaction is 2.8 ev, which is in modest agreement with experimental result.

关键词： Ion-pair formation reaction probability quantum scattering LCAC-SW method

Gait Recognition Under Different Clothing Conditions Via Deterministic Learning

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IEEE/CAA Journal of Automatica Sinica 2024年第6期11卷 1530-1532页

作者： Muqing deng cong Wang School of Automation Guangdong University of TechnologyGuangzhou 510006China School of Control Science and Engineering Shandong UniversityJinan 250100China

Dear Editor,This letter deals with the robustness problem of gait recognition method against maximum number of clothing *** selecting four kinds of time-varying silhouette features,gait dynamics underlying different individuals’gait features is effectively modeled by radial basis function(RBF)neural networks through deterministic *** kind of dynamics information has little sensitivity to the variance between gait patterns under different clothing *** order to eliminate the effect of clothing differences,the training patterns under different clothing conditions further constitute a uniform training dataset,containing all kinds of gait dynamics under different clothing conditions.A rapid recognition scheme is presented on published gait *** experiments demonstrate the efficacy of the proposed method.

关键词： networks neural individual

Micro-mechanism Study on the Different Antioxidants Protective Effect of Vegetable Oil by ReaxFF Molecular Dynamics

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CSEE Journal of Power and Energy Systems 2024年第3期10卷 1269-1279页

作者： haoxi cong Xuefeng Hu hao Pan Qingmin Li State Key Laboratory of Alternate Electrical Power System With Renewable Energy Sources North China Electric Power UniversityBeijing 102206China

The aging problem of vegetable oil has severely restricted the popularization and application of vegetable oil *** antioxidants is the most recommended *** present,there is insufficient research on the micromechanism application of the protective effect of antioxidants on vegetable *** this paper,multiple vegetable oil models with different types and concentrations of antioxidants are *** the molecular dynamics simulation based on ReaxFF is carried out at different temperatures and oxygen *** show that the protective mechanism of antioxidants is to release H and combine this with free radicals generated by the decomposition of unsaturated fatty acids(UFA)in the *** addition,the protective effects of four antioxidants show different *** stronger ones are tert-butyl hydroquinone(TBHQ)and butylated hydroxytoluene(BHT),while the weaker ones are butylated hydroxyanisole(BHA)and propyl gallate(PG).TBHQ has a better protective effect at lower concentrations,but the decomposition of UFA is promoted at higher *** the temperature rises,the decomposition of UFA is *** the addition of oxygen,smaller molecular compounds are easily oxidized,and the decomposition of UFA is *** above research could reveal the microscopic mechanism of antioxidant protection on vegetable oil,providing theoretical references for further exploration of effective vegetable oil aging protection technology.

关键词： Antioxidant molecular dynamics transformer vegetable oil

Microbes in mass extinction: an accomplice or a savior?

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National Science Review 2024年第1期11卷 12-15页

作者： Genming Luo deng Liu hao Yang State Key Laboratory of Geobiology and Environmental Geology China University of Geosciences (Wuhan)

Microbes include various types of organisms that are invisible to the naked eye,e.g. bacteria, archaea and microeukaryotes. Although the precise number remains largely unknown, microbes are recognized as the unseen majority of our biosphere [1]. As a group of organisms classified by body size, microbes cover a considerable spectrum of metabolisms,

关键词： AFTERMATH

Vertically aligned montmorillonite aerogel-encapsulated polyethylene glycol with directional heat transfer paths for efficient solar thermal energy harvesting and storage

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International Journal of Minerals,Metallurgy and Materials 2024年第5期31卷 907-916页

作者： Qijing Guo cong Guo hao Yi Feifei Jia Shaoxian Song Key Laboratory of Green Utilization of Critical Non-metallic Mineral Resources Ministry of EducationWuhan University of TechnologyWuhan 430070China School of Resources and Environmental Engineering Wuhan University of TechnologyWuhan 430070China Hubei Key Laboratory of Mineral Resources Processing and Environment Wuhan University of TechnologyWuhan 430070China

The conversion and storage of photothermal energy using phase change materials(PCMs)represent an optimal approach for harnessing clean and sustainable solar ***,we encapsulated polyethylene glycol(PEG)in montmorillonite aerogels(3D-Mt)through vacuum impregnation to prepare 3D-Mt/PEG composite *** used as a support matrix,3D-Mt can effectively prevent PEG leakage and act as a flame-retardant barrier to reduce the flammability of ***,3D-Mt/PEG demonstrates outstanding shape retention,increased thermal energy storage density,and commendable thermal and chemical *** phase transition enthalpy of 3D-Mt/PEG can reach 167.53 J/g and remains stable even after 50 heating-cooling ***,the vertical sheet-like structure of 3D-Mt establishes directional heat transport channels,facilitating efficient phonon *** configuration results in highly anisotropic thermal conductivities that ensure swift thermal responses and efficient heat *** study addresses the shortcomings of PCMs,including the issues of leakage and inadequate flame *** achieves the development and design of 3D-Mt/PEG with ultrahigh strength,superior flame retardancy,and directional heat ***,this work offers a design strategy for the preparation of high-performance composite *** 3D-Mt/PEG with vertically aligned and well-ordered array structure developed in this research shows great potential for thermal management and photothermal conversion applications.

关键词： montmorillonite aerogel polyethylene glycol phase change materials solar thermal energy storage flame retardant

The Isomeric Structures of H_2GeLiF, the Prototype Germylenoid

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Chinese Chemical Letters 1999年第6期10卷 511-514页

作者： Hua Yu QIU Wan Yong MA Guan Bin LI cong hao deng (Department of Chemical Engineering. Shandong Institute of Light Industry. Jinan 250100 Institute of Theoretical Chemistry. Shandong University, Jinan 250100) Department of Chemical Engineering Shandong Institute of Light Industry Jinan 250100 China Institute of Theoretical Chemistry Shandong University Jinan 250100 China

The structures of four isomeric forms of the model germylenoid, H2GeLiF. have been examined by ah initio MO theory. The most stable structure is suggested to be the p-complex *** other three species. three-membered ring 2, δ-complex 3 and tetrahedron 4. are also local minima on the potential energy surface. but are higher in energy.

关键词： Germylenoid p-complex ab initio

Dissolution behavior of Al_(2)O_(3)inclusions into CaO-MgO-SiO_(2)-Al_(2)O_(3)-TiO_(2)system ladle slags

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International Journal of Minerals,Metallurgy and Materials 2024年第5期31卷 977-987页

作者： Zhiyin deng Xiaomeng Zhang Guangyu hao Chunxin Wei Miaoyong Zhu Key Laboratory for Ecological Metallurgy of Multimetallic Mineral(Ministry of Education) Northeastern UniversityShenyang 110819China School of Metallurgy Northeastern UniversityShenyang 110819China TBEA Shenyang Transformer Group Co. Ltd.Shenyang 110141China Angang Steel Co. Ltd.Anshan 114021China

To investigate the dissolution behaviors of Al_(2)O_(3)inclusions in CaO-5wt%MgO-SiO_(2)-30wt%Al_(2)O_(3)-TiO_(2)system ladle slags,confocal scanning laser microscopy was conducted on the slags with different TiO_(2)contents(0-10wt%),and scanning electron microscopy was performed to study the interfacial reaction between Al_(2)O_(3)and this slag *** results disclose that the dissolution of Al_(2)O_(3)inclusions does not result in the formation of new phases at the boundary between the slag and the *** TiO_(2)-bearing and TiO_(2)-free ladle slags,there is no difference in the dissolution mechanism of Al_(2)O_(3)inclusions at steelmaking *** layer diffusion is found as the controlling step of the dissolution of Al_(2)O_(3),and the diffusion coefficient is in the range of 4.18×10^(-10)to 2.18×10^(-9)m^(2)/s at 1450-1500℃.Compared with the solubility of Al_(2)O_(3)in the slags,slag viscosity and temperature play a more profound role in the dissolution of Al_(2)O_(3)inclusions.A lower viscosity and a lower melting point of the slags are beneficial for the *** addition of TiO_(2)(e.g.,5wt%)in ladle slags can enhance the dissolution of Al_(2)O_(3)inclusions because of the low viscosity and melting point of the slags,while excessive addition of TiO_(2)(e.g.,10wt%)shows the opposite trend.

关键词： inclusions dissolution ladle refining slag titanium dioxide confocal scanning laser microscopy

Performance Improvement of Two-Phase Steam Ejector based on CFD Techniques,Response Surface Methodology and Genetic Algorithm

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Journal of Thermal Science 2024年第2期33卷 675-695页

作者： ZHANG hao Zhao Hongxia ZHANG Xiuao ZENG Hongxuan deng Jianqiang School of Energy and Power Engineering Shandong UniversityJi’nan250061China School of Chemical Engineering and Technology Xi’an Jiaotong UniversityXi’an710049China

The steam ejector is a crucial component in the waste heat recovery *** performance determines the amount of recovered heat and system ***,poor ejector performance has always been the main bottleneck for system ***,this study proposes an optimization methodology to improve the steam ejector's performance by utilizing computational fluid dynamics(CFD) techniques,response surface methodology(RSM),and genetic algorithm(GA).Firstly,a homogeneous equilibrium model(HEM) was established to simulate the two-phase flow in the steam ***,the orthogonal test was presented to the screening of the key decision variables that have a significant impact on the entrainment ratio(ER).Next,the RSM was used to fit a response surface regression model(RSRM).Meanwhile,the effect of the interaction of geometric parameters on the performance of the steam ejector was ***,GA was employed to solve the RSRM's global optimal ER *** results show that the RSRM exhibits a good fit for ER(R^(2)=0.997).After RSM and GA optimization,the maximum ejector efficiency is 27.94%,which is 48.38% higher than the initial ejector of 18.83%.Furthermore,the optimized ejector efficiency is increased by 46.4% on average under off-design ***,the results reveal that the combination of CFD,RSM,and GA presents excellent reliability and feasibility in the optimization design of a two-phase steam ejector.

关键词： two-phase steam ejector optimization methodology CFD techniques response surface methodology genetic algorithm homogeneous equilibrium model

MXene-derived quantum dots based photocatalysts:Synthesis,application,prospects,and challenges

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Chinese Chemical Letters 2024年第6期35卷 123-133页

作者： hao deng Yuxin Hui Chao Zhang Qi Zhou Qiang Li hao Du Derek hao Guoxiang Yang Qi Wang School of Environmental Science and Engineering Zhejiang Gongshang UniversityHangzhou 310018China Instrumental Analysis Center of Zhejiang Gongshang University Hangzhou 310018China Centre for Technology in Water and Wastewater(CTWW) School of Civil and Environmental EngineeringUniversity of Technology Sydney(UTS)UltimoNSW 2007Australia

In recent years,the emerging two-dimensional material-MXenes has attracted widespread attention in the field of photocatalysis due to its high conductivity,suitable Fermi level,tunable elemental composition,and excellent photoelectric *** zero-dimensional quantum dots(MQDs)derived from 2D MXenes not only inherit the characteristics of MXenes but also exhibit better performance due to the quantum size *** on the above excellent physical and chemical properties,MQDs are often used as co-catalysts of photocatalysts,and show excellent co-catalytic *** the same time,compared with other cocatalysts(precious metals,metal oxides,metal sulfides),it has the advantages of low cost and high ***,understanding the status of MQDs in the field of photocatalysis is crucial for their further *** this review,we summarized the synthesis and modification methods of MQDs in recent years,as well as their photocatalytic applications in H_(2) production,CO_(2) reduction,N_(2) fixation,pollutant degradation,and other *** addition,the challenges and prospects faced by MQDs are also proposed,providing theoretical guidance for the further development of MQD-based photocatalysts.

关键词： MXenes Quantum dots Photocatalysis Composites Environment purification