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基于PCA-XGBoost算法的哑铃状SIR差分滤波器设计
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作者 张友俊 徐雯雯 《磁性材料及器件》 CAS 2024年第1期31-36,共6页
随着多业务无线通信技术的发展,具有共模抑制能力的差分带通滤波器越来越受到人们的关注,但是设计差分微带滤波器的传统方法过程复杂且耗时较长。针对这些问题,结合非线性赋权的极限梯度提升(eXtreme Gradient Boosting,XGBoost)算法,... 随着多业务无线通信技术的发展,具有共模抑制能力的差分带通滤波器越来越受到人们的关注,但是设计差分微带滤波器的传统方法过程复杂且耗时较长。针对这些问题,结合非线性赋权的极限梯度提升(eXtreme Gradient Boosting,XGBoost)算法,通过训练和学习滤波器结构参数和相应频率响应S参数的关系辅助进行滤波器的设计,设计了一款基于改进阶跃阻抗谐振器(Stepped Impedance Resonator,SIR)的哑铃状差分带通滤波器。该滤波器的中心频率为2.6 GHz,相对带宽为7.3%,通带内插入损耗优于0.95 dB,回波损耗优于20 dB,通带内共模抑制优于42 dB,并且具有较宽的阻带。实物测试结果与算法预测结果的一致性,验证了PCA-XGBoost算法(Principal Component Analysis,PCA)用于滤波器辅助设计的可行性。 展开更多
关键词 哑铃状sir谐振器 差分微带滤波器 PCA-XGBoost算法
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Surface engineering of ZnO electrocatalyst by N doping towards electrochemical CO_(2) reduction 被引量:1
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作者 Rohini Subhash Kanase Getasew Mulualem Zewdie +7 位作者 Maheswari Arunachalam Jyoti Badiger Suzan Abdelfattah Sayed Kwang-Soon Ahn Jun-Seok Ha Uk Sim Hyeyoung Shin Soon Hyung Kang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期71-81,I0002,共12页
The discovery of efficient,selective,and stable electrocatalysts can be a key point to produce the largescale chemical fuels via electrochemical CO_(2) reduction(ECR).In this study,an earth-abundant and nontoxic ZnO-b... The discovery of efficient,selective,and stable electrocatalysts can be a key point to produce the largescale chemical fuels via electrochemical CO_(2) reduction(ECR).In this study,an earth-abundant and nontoxic ZnO-based electrocatalyst was developed for use in gas-diffusion electrodes(GDE),and the effect of nitrogen(N)doping on the ECR activity of ZnO electrocatalysts was investigated.Initially,a ZnO nanosheet was prepared via the hydrothermal method,and nitridation was performed at different times to control the N-doping content.With an increase in the N-doping content,the morphological properties of the nanosheet changed significantly,namely,the 2D nanosheets transformed into irregularly shaped nanoparticles.Furthermore,the ECR performance of Zn O electrocatalysts with different N-doping content was assessed in 1.0 M KHCO_(3) electrolyte using a gas-diffusion electrode-based ECR cell.While the ECR activity increased after a small amount of N doping,it decreased for higher N doping content.Among them,the N:ZnO-1 h electrocatalysts showed the best CO selectivity,with a faradaic efficiency(FE_(CO))of 92.7%at-0.73 V vs.reversible hydrogen electrode(RHE),which was greater than that of an undoped Zn O electrocatalyst(FE_(CO)of 63.4%at-0.78 V_(RHE)).Also,the N:ZnO-1 h electrocatalyst exhibited outstanding durability for 16 h,with a partial current density of-92.1 mA cm^(-2).This improvement of N:ZnO-1 h electrocatalyst can be explained by density functional theory calculations,demonstrating that this improvement of N:ZnO-1 h electrocatalyst comes from(ⅰ)the optimized active sites lowering the free energy barrier for the rate-determining step(RDS),and(ⅱ)the modification of electronic structure enhancing the electron transfer rate by N doping. 展开更多
关键词 ZNO N-doped ZnO Gas-diffusion electrode CO Selectivity Electrochemical CO_(2)reduction
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Model reduction of fractional impedance spectra for time–frequency analysis of batteries, fuel cells, and supercapacitors 被引量:1
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作者 Weiheng Li Qiu-An Huang +6 位作者 Yuxuan Bai Jia Wang Linlin Wang Yuyu Liu Yufeng Zhao Xifei Li Jiujun Zhang 《Carbon Energy》 SCIE EI CAS CSCD 2024年第1期108-141,共34页
Joint time–frequency analysis is an emerging method for interpreting the underlying physics in fuel cells,batteries,and supercapacitors.To increase the reliability of time–frequency analysis,a theoretical correlatio... Joint time–frequency analysis is an emerging method for interpreting the underlying physics in fuel cells,batteries,and supercapacitors.To increase the reliability of time–frequency analysis,a theoretical correlation between frequency-domain stationary analysis and time-domain transient analysis is urgently required.The present work formularizes a thorough model reduction of fractional impedance spectra for electrochemical energy devices involving not only the model reduction from fractional-order models to integer-order models and from high-to low-order RC circuits but also insight into the evolution of the characteristic time constants during the whole reduction process.The following work has been carried out:(i)the model-reduction theory is addressed for typical Warburg elements and RC circuits based on the continued fraction expansion theory and the response error minimization technique,respectively;(ii)the order effect on the model reduction of typical Warburg elements is quantitatively evaluated by time–frequency analysis;(iii)the results of time–frequency analysis are confirmed to be useful to determine the reduction order in terms of the kinetic information needed to be captured;and(iv)the results of time–frequency analysis are validated for the model reduction of fractional impedance spectra for lithium-ion batteries,supercapacitors,and solid oxide fuel cells.In turn,the numerical validation has demonstrated the powerful function of the joint time–frequency analysis.The thorough model reduction of fractional impedance spectra addressed in the present work not only clarifies the relationship between time-domain transient analysis and frequency-domain stationary analysis but also enhances the reliability of the joint time–frequency analysis for electrochemical energy devices. 展开更多
关键词 battery fuel cell supercapacitor fractional impedance spectroscopy model reduction time-frequency analysis
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经典SIR模型的改进及其应用
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作者 周潜 黄振 《产业与科技论坛》 2024年第4期45-47,共3页
将较难数量化的疾病传播影响因素转换为传播阻碍因子,并基于经典的确定性SIR模型,在疾病传播的中早期阶段将传播阻碍因子引入其中,以此降低模型对疾病传播数据广度和精度的依赖;同时引入动态变化的治愈率函数,以此建立改进后的SIR模型... 将较难数量化的疾病传播影响因素转换为传播阻碍因子,并基于经典的确定性SIR模型,在疾病传播的中早期阶段将传播阻碍因子引入其中,以此降低模型对疾病传播数据广度和精度的依赖;同时引入动态变化的治愈率函数,以此建立改进后的SIR模型。并运用四阶、五阶runge-kutta单步算法求解改进SIR模型对应的微分方程组。最后,应用改进后的SIR模型对疾病传播的中早期数据进行分析,拟合疾病传播中早期阶段的传播阻碍因子,模拟未被隔离的感染者数量,预测疾病传播进程。 展开更多
关键词 sir模型 数学模型 疾病预防
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基于SIR模型预测新型冠状病毒在广东省的传播
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作者 张帅 吕浩嘉 +1 位作者 邹怀川 张荣培 《应用数学进展》 2024年第5期2342-2347,共6页
自2019年底以来,全球爆发的COVID-19疫情对全球公共卫生系统带来了前所未有的挑战。传染病模型,尤其是SIR模型,成为疾病传播和防控研究的关键工具。本文采用数据驱动的建模方法研究新型冠状病毒在广东省的传播,首先采集广东省疫情初期... 自2019年底以来,全球爆发的COVID-19疫情对全球公共卫生系统带来了前所未有的挑战。传染病模型,尤其是SIR模型,成为疾病传播和防控研究的关键工具。本文采用数据驱动的建模方法研究新型冠状病毒在广东省的传播,首先采集广东省疫情初期的数据,然后通过采用有限差分方法和数据拟合求解得到SIR模型的两个重要参数:传染率和康复率,最后应用龙格库塔方法对SIR模型进行数值求解。本文的模型可以更好地理解疫情传播过程,为决策者提供科学依据,有助于政府和卫生机构制定更合理的防控措施和资源分配策略。 展开更多
关键词 新型冠状病毒 sir 龙格库塔方法 有限差分
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Comprehensive understanding of the thriving electrocatalytic nitrate/nitrite reduction to ammonia under ambient conditions
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作者 Xinying Zhao Yuzhuo Jiang +5 位作者 Mengfan Wang Yunfei Huan Qiyang Cheng Yanzheng He Tao Qian Chenglin Yan 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第5期459-483,共25页
Ammonia(NH_(3))is a multifunctional compound that is an important feedstock for the agricultural and pharmaceutical industries and attractive energy storage medium.At present,NH_(3)synthesis is highly dependent on the... Ammonia(NH_(3))is a multifunctional compound that is an important feedstock for the agricultural and pharmaceutical industries and attractive energy storage medium.At present,NH_(3)synthesis is highly dependent on the conventional Haber–Bosch process that operates under harsh conditions,which consumes large quantities of fossil fuels and releases a large amount of carbon dioxide.As an alternative,electrosynthesis is a prospective method for producing NH_(3)under normal temperature and pressure conditions.Although electrocatalytic nitrogen reduction to ammonia has attracted considerable attentions,the low solubility of N_(2)and high N≡N cracking energy render the achievements of high NH_(3) yield rate and Faradaic efficiency difficult.Nitrate and nitrite(NO_(x)^(-))are common N-containing pollutants.Due to their high solubilities and low dissociation energy of N=O,NO_(x)^(-)−are ideal raw materials for NH_(3) production.Therefore,electrocatalytic NO_(x)^(-)−reduction to NH_(3)(eNO_(x)RR)is a prospective strategy to simultaneously realise environmental protection and NH_(3) synthesis.This review offers a comprehensive understanding of the thriving eNO_(x)RR under ambient conditions.At first,the popular theory and mechanism of eNO_(x)RR and a summary of the measurement system and evaluation criteria are introduced.Thereafter,various strategies for developing NO_(x)−reduction catalysts are systematically presented and discussed.Finally,the challenges and possible prospects of electrocatalytic NO_(x)^(-1) reduction are outlined to facilitate energy-saving and environmentally friendly large-scale synthesis of NH_(3) in the future. 展开更多
关键词 Electrocatalytic nitrate reduction Electrocatalytic nitrite reduction Ammonia synthesis Pollutant removal ELECTROSYNTHESIS
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基于SIR模型的直播电商供应链运营风险传播与控制研究
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作者 靖培星 张娴 冯佳蕊 《江苏建筑职业技术学院学报》 2024年第1期69-73,共5页
为正确识别直播电商供应链的风险因素,分析、研判风险在直播电商供应链的传播规律,构建了直播电商供应链的结构框架,利用复杂网络模拟了供应链的运营过程。首先,识别出直播电商供应链的22个风险因素,引入SIR风险传染模型。其次,根据风... 为正确识别直播电商供应链的风险因素,分析、研判风险在直播电商供应链的传播规律,构建了直播电商供应链的结构框架,利用复杂网络模拟了供应链的运营过程。首先,识别出直播电商供应链的22个风险因素,引入SIR风险传染模型。其次,根据风险因素的分类,设置不同初始风险状态和传播规则,对风险传播过程进行模拟仿真分析。结果发现:品牌方的销售策略、主播的直播状态、直播间消费者对产品和主播的负面评价等风险需要重点关注。最后,结合风险传播路径和关键风险因素,提出控制直播电商供应链运营风险的管理措施。 展开更多
关键词 直播电商供应链 风险传播 复杂网络 sir模型
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Cu-Based Materials for Enhanced C_(2+) Product Selectivity in Photo-/Electro-Catalytic CO_(2) Reduction: Challenges and Prospects
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作者 Baker Rhimi Min Zhou +2 位作者 Zaoxue Yan Xiaoyan Cai Zhifeng Jiang 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第4期25-66,共42页
Carbon dioxide conversion into valuable products using photocatalysis and electrocatalysis is an effective approach to mitigate global environmental issues and the energy shortages. Among the materials utilized for ca... Carbon dioxide conversion into valuable products using photocatalysis and electrocatalysis is an effective approach to mitigate global environmental issues and the energy shortages. Among the materials utilized for catalytic reduction of CO_(2), Cu-based materials are highly advantageous owing to their widespread availability, cost-effectiveness, and environmental sustainability. Furthermore, Cu-based materials demonstrate interesting abilities in the adsorption and activation of carbon dioxide, allowing the formation of C_(2+) compounds through C–C coupling process. Herein, the basic principles of photocatalytic CO_(2) reduction reactions(PCO_(2)RR) and electrocatalytic CO_(2) reduction reaction(ECO_(2)RR) and the pathways for the generation C_(2+) products are introduced. This review categorizes Cu-based materials into different groups including Cu metal, Cu oxides, Cu alloys, and Cu SACs, Cu heterojunctions based on their catalytic applications. The relationship between the Cu surfaces and their efficiency in both PCO_(2)RR and ECO_(2)RR is emphasized. Through a review of recent studies on PCO_(2)RR and ECO_(2)RR using Cu-based catalysts, the focus is on understanding the underlying reasons for the enhanced selectivity toward C_(2+) products. Finally, the opportunities and challenges associated with Cu-based materials in the CO_(2) catalytic reduction applications are presented, along with research directions that can guide for the design of highly active and selective Cu-based materials for CO_(2) reduction processes in the future. 展开更多
关键词 Photocatalytic CO_(2)reduction Cu-based materials Electrocatalytic CO_(2)reduction
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Attribute Reduction Method Based on Sequential Three-Branch Decision Model
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作者 Peiyu Su Fu Li 《Applied Mathematics》 2024年第4期257-266,共10页
Attribute reduction is a research hotspot in rough set theory. Traditional heuristic attribute reduction methods add the most important attribute to the decision attribute set each time, resulting in multiple redundan... Attribute reduction is a research hotspot in rough set theory. Traditional heuristic attribute reduction methods add the most important attribute to the decision attribute set each time, resulting in multiple redundant attribute calculations, high time consumption, and low reduction efficiency. In this paper, based on the idea of sequential three-branch decision classification domain, attributes are treated as objects of three-branch division, and attributes are divided into core attributes, relatively necessary attributes, and unnecessary attributes using attribute importance and thresholds. Core attributes are added to the decision attribute set, unnecessary attributes are rejected from being added, and relatively necessary attributes are repeatedly divided until the reduction result is obtained. Experiments were conducted on 8 groups of UCI datasets, and the results show that, compared to traditional reduction methods, the method proposed in this paper can effectively reduce time consumption while ensuring classification performance. 展开更多
关键词 Attribute reduction Three-Branch Decision Sequential Three-Branch Decision
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A cascade of in situ conversion of bicarbonate to CO_(2) and CO_(2) electroreduction in a flow cell with a Ni-N-S catalyst
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作者 Linghui Kong Min Wang +6 位作者 Yongxiao Tuo Shanshan Zhou Jinxiu Wang Guangbo Liu Xuejing Cui Jiali Wang Luhua Jiang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期183-193,I0005,共12页
Combination of CO_(2) capture using inorganic alkali with subsequently electrochemical conversion of the resultant HCO_(3)^(-)to high-value chemicals is a promising route of low cost and high efficiency.The electroche... Combination of CO_(2) capture using inorganic alkali with subsequently electrochemical conversion of the resultant HCO_(3)^(-)to high-value chemicals is a promising route of low cost and high efficiency.The electrochemical reduction of HCO_(3)^(-)is challenging due to the inaccessible of negatively charged molecular groups to the electrode surface.Herein,we adopt a comprehensive strategy to tackle this challenge,i.e.,cascade of in situ chemical conversion of HCO_(3)^(-)to CO_(2) and CO_(2) electrochemical reduction in a flow cell.With a tailored Ni-N-S single atom catalyst(SACs),where sulfur(S)atoms located in the second shell of Ni center,the CO_(2)electroreduction(CO_(2)ER)to CO is boosted.The experimental results and density functional theory(DFT)calculations reveal that the introduction of S increases the p electron density of N atoms near Ni atom,thereby stabilizing^(*)H over N and boosting the first proton coupled electron transfer process of CO_(2)ER,i.e.,^(*)+e^(-)+^(*)H+^(*)CO_(2)→^(*)COOH.As a result,the obtained catalyst exhibits a high faradaic efficiency(FE_(CO)~98%)and a low overpotential of 425 mV for CO production as well as a superior turnover frequency(TOF)of 47397 h^(-1),outcompeting most of the reported Ni SACs.More importantly,an extremely high FECOof 90%is achieved at 50 mA cm^(-2)in the designed membrane electrode assembly(MEA)cascade electrolyzer fed with liquid bicarbonate.This work not only highlights the significant role of the second coordination on the first coordination shell of the central metal for CO_(2)ER,but also provides an alternative and feasible strategy to realize the electrochemical conversion of HCO_(3)^(-)to high-value chemicals. 展开更多
关键词 S doped Ni-N-C single atom catalysts CO_(2)electrochemical reduction DFT calculations Membrane electrode assembly reduction of bicarbonate
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Airfoil friction drag reduction based on grid-type and super-dense array plasma actuators
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作者 方子淇 宗豪华 +2 位作者 吴云 梁华 苏志 《Plasma Science and Technology》 SCIE EI CAS CSCD 2024年第2期94-103,共10页
To improve the cruise flight performance of aircraft, two new configurations of plasma actuators(grid-type and super-dense array) were investigated to reduce the turbulent skin friction drag of a low-speed airfoil. Th... To improve the cruise flight performance of aircraft, two new configurations of plasma actuators(grid-type and super-dense array) were investigated to reduce the turbulent skin friction drag of a low-speed airfoil. The induced jet characteristics of the two actuators in quiescent air were diagnosed with high-speed particle image velocimetry(PIV), and their drag reduction efficiencies were examined under different operating conditions in a wind tunnel. The results showed that the grid-type plasma actuator was capable of producing a wall-normal jet array(peak magnitude: 1.07 m/s) similar to that generated in a micro-blowing technique, while the superdense array plasma actuator created a wavy wall-parallel jet(magnitude: 0.94 m/s) due to the discrete spanwise electrostatic forces. Under a comparable electrical power consumption level,the super-dense array plasma actuator array significantly outperformed the grid-type configuration,reducing the total airfoil friction drag by approximately 22% at a free-stream velocity of 20 m/s.The magnitude of drag reduction was proportional to the dimensionless jet velocity ratio(r), and a threshold r = 0.014 existed under which little impact on airfoil drag could be discerned. 展开更多
关键词 plasma actuator flow control drag reduction AIRFOIL
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Copper slag assisted coke reduction of phosphogypsum for sulphur dioxide preparation
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作者 Dong Ma Qinhui Wang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第1期43-53,共11页
The reduction of phosphogypsum(PG)to lime slag and SO_(2)using coke can effectively alleviate the environmental problems caused by PG.However,the PG decomposition temperature remains high and the product yield remains... The reduction of phosphogypsum(PG)to lime slag and SO_(2)using coke can effectively alleviate the environmental problems caused by PG.However,the PG decomposition temperature remains high and the product yield remains poor.By adding additives,the decomposition temperature can be further reduced and PG decomposition rate and product yield can be improved.However,the use of current additives such as Fe_(2)O_(3)and SiO_(2)brings the problem of increasing economic cost.Therefore,it is proposed to use solid waste copper slag(CS)as a new additive to reduce PG to prepare SO2,which can reduce the cost and meet the environmental benefits at the same time.The effects of proportion,temperature and thermostatic time on PG decomposition are investigated by experimental and kinetic analysis combined with FactSage thermodynamic calculations to optimize the roasting conditions.Finally,the reaction mechanism is proposed.It is found that adding CS to the coke and PG system can increase the rate of PG decomposition and SO_(2)yield while lowering the PG decomposition temperature.For example,when the CS/PG mass ratio increases from 0 to 1,PG decomposition rate increases from 83.38%to 99.35%,SO_(2)yield increases from 78.62%to 96.81%,and PG decomposition temperature decreases from 992.4℃to 949.6℃.The optimal reaction parameters are CS/PG mass ratio of 1,Coke/PG mass ratio of 0.06 at 1100℃for 20 min with 99.35%PG decomposition rate and 96.81%SO_(2) yield.The process proceeds according to the following reactions:2CaSO_(4)+ 0.7C + 0.8Fe_(2)SiO_(4)→0.8Ca_(2)SiO_(4)+ 0.2Ca_(2)Fe_(2)O_(5)+ 0.4Fe_(3)O_(4)+2SO_(2)+ 0.7CO_(2)Finally,a process for decomposing PG with coke and CS is proposed. 展开更多
关键词 PHOSPHOGYPSUM Sulfur dioxide Copper slag FLUIDIZED-BED reduction Waste treatment
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Numerical Study on Reduction in Aerodynamic Drag and Noise of High-Speed Pantograph
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作者 Deng Qin Xing Du +1 位作者 Tian Li Jiye Zhang 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第5期2155-2173,共19页
Reducing the aerodynamic drag and noise levels of high-speed pantographs is important for promoting environmentally friendly,energy efficient and rapid advances in train technology.Using computational fluid dynamics t... Reducing the aerodynamic drag and noise levels of high-speed pantographs is important for promoting environmentally friendly,energy efficient and rapid advances in train technology.Using computational fluid dynamics theory and the K-FWH acoustic equation,a numerical simulation is conducted to investigate the aerodynamic characteristics of high-speed pantographs.A component optimization method is proposed as a possible solution to the problemof aerodynamic drag and noise in high-speed pantographs.The results of the study indicate that the panhead,base and insulator are the main contributors to aerodynamic drag and noise in high-speed pantographs.Therefore,a gradual optimization process is implemented to improve the most significant components that cause aerodynamic drag and noise.By optimizing the cross-sectional shape of the strips and insulators,the drag and noise caused by airflow separation and vortex shedding can be reduced.The aerodynamic drag of insulator with circular cross section and strips with rectangular cross section is the largest.Ellipsifying insulators and optimizing the chamfer angle and height of the windward surface of the strips can improve the aerodynamic performance of the pantograph.In addition,the streamlined fairing attached to the base can eliminate the complex flow and shield the radiated noise.In contrast to the original pantograph design,the improved pantograph shows a 21.1%reduction in aerodynamic drag and a 1.65 dBA reduction in aerodynamic noise. 展开更多
关键词 High-speed pantograph aerodynamic drag aerodynamic noise reduction optimizing
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New process for treating boron-bearing iron ore by flash reduction coupled with magnetic separation
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作者 Qipeng Bao Lei Guo +4 位作者 Hong Yong Sohn Haibin Zuo Feng Liu Yongliang Gao Zhancheng Guo 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第3期473-484,共12页
Boron is an important industrial raw material often sourced from minerals containing different compounds that cocrystallize,which makes it difficult to separate the mineral phases through conventional beneficiation.Th... Boron is an important industrial raw material often sourced from minerals containing different compounds that cocrystallize,which makes it difficult to separate the mineral phases through conventional beneficiation.This study proposed a new treatment called flash reduction-melting separation(FRMS)for boron-bearing iron concentrates.In this method,the concentrates were first flash-reduced at the temperature under which the particles melt,and the slag and the reduced iron phases disengaged at the particle scale.Good reduc-tion and melting effects were achieved above 1550℃.The B_(2)O_(3) content in the separated slag was over 18wt%,and the B content in the iron was less than 0.03wt%.The proposed FRMS method was tested to investigate the effects of factors such as ore particle size and tem-perature on the reduction and melting steps with and without pre-reducing the raw concentrate.The mineral phase transformation and morphology evolution in the ore particles during FRMS were also comprehensively analyzed. 展开更多
关键词 LUDWIGITE boron-bearing iron concentrate flash reduction melting separation BORON
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Precise regulation of the phase transformation for pyrolusite during the reduction roasting process
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作者 Ruofeng Wang Peng Gao +3 位作者 Shuai Yuan Yanjun Li Yingzhi Liu Cheng Huang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CSCD 2024年第1期81-90,共10页
The mechanism involved in the phase transformation process of pyrolusite (MnO_(2)) during roasting in a reducing atmosphere was systematically elucidated in this study,with the aim of effectively using low-grade compl... The mechanism involved in the phase transformation process of pyrolusite (MnO_(2)) during roasting in a reducing atmosphere was systematically elucidated in this study,with the aim of effectively using low-grade complex manganese ore resources.According to single-factor experiment results,the roasted product with a divalent manganese (Mn^(2+)) distribution rate of 95.30% was obtained at a roasting time of 25 min,a roasting temperature of 700℃,a CO concentration of 20at%,and a total gas volume of 500 mL·min^(-1),in which the manganese was mainly in the form of manganosite (MnO).Scanning electron microscopy and Brunauer–Emmett–Teller theory demonstrated the microstructural evolution of the roasted product and the gradual reduction in the pyrolusite ore from the surface to the core Thermodynamic calculations,X-ray photoelectron spectroscopy,and X-ray diffractometry analyses determined that the phase transformation of pyrolusite followed the order of MnO_(2)→Mn_(2)O_(3)→Mn_(3)O_(4)→MnO phase by phase,and the reduction of manganese oxides in each valence state proceeded simultaneously. 展开更多
关键词 PYROLUSITE phase transformation reduction roasting microstructural evolution reaction mechanism
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Operationally Simple Enantioselective Silane Reduction of Ketones by the [Ir(OMe)(cod)]2/Azolium Catalytic System
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作者 Satoshi Sakaguchi Chika Nagao +1 位作者 Ryo Ichihara Shogo Matsuo 《International Journal of Organic Chemistry》 2024年第1期1-19,共19页
An operationally simple protocol was designed for the enantioselective silane reduction (ESR) of ketones using air- and moisture-stable [Ir(OMe)(cod)]<sub>2</sub> (cod = 1,5-cyclooctadiene) (3) as a metal ... An operationally simple protocol was designed for the enantioselective silane reduction (ESR) of ketones using air- and moisture-stable [Ir(OMe)(cod)]<sub>2</sub> (cod = 1,5-cyclooctadiene) (3) as a metal catalyst precursor. This reaction was driven by chiral hydroxyamide-functionalized azolium salt 2. The catalytic ESR reaction could be performed under benchtop conditions at room temperature. Treatment of 2 with 3 in THF yielded the monodentate IrCl(NHC)(cod) (NHC = N-heterocyclic carbene) complex 4 in 93% yield, herein the anionic methoxy ligand of 3 serves as an internal base that deprotonates the azolium ring of 2. The well-defined Ir complex 4 catalyzed the ESR reaction of propiophenone (6) with (EtO)<sub>2</sub>MeSiH using the pre-mixing reaction procedure. Based on this success, the catalytic ESR reaction was designed and implemented using an in situ-generated NHC/Ir catalyst derived from 2 and 3. Thus, a wide variety of aryl ketones could be reduced to the corresponding optically active alcohols in moderate to excellent stereoselectivities at room temperature without temperature control. Since the high catalytic activity of 3 was observed, we next evaluated several other transition metal catalyst precursors for the catalytic ESR reaction under the influence of 2. This evaluation revealed that Ir(acac)(cod) (acac = acetylacetonate) (28) and [IrCl(cod)]<sub>2</sub> (5) can be successfully used as metal catalyst precursors in the ESR reaction. 展开更多
关键词 Asymmetric Catalysis Enantioselective reduction Hydrosilylation Reaction N-Heterocyclic Carbene IRIDIUM
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A post-modification strategy to precisely construct dual-atom sites for oxygen reduction electrocatalysis
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作者 Juan Wang Xinyan Liu +9 位作者 Chang-Xin Zhao Yun-Wei Song Jia-Ning Liu Xi-Yao Li Chen-Xi Bi Xin Wan Jianglan Shui Hong-Jie Peng Bo-Quan Li Jia-Qi Huang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第3期511-517,I0012,共8页
Dual-atom catalysts(DACs) afford promising potential for oxygen reduction electrocatalysis due to their high atomic efficiency and high intrinsic activity.However,precise construction of dual-atom sites remains a chal... Dual-atom catalysts(DACs) afford promising potential for oxygen reduction electrocatalysis due to their high atomic efficiency and high intrinsic activity.However,precise construction of dual-atom sites remains a challenge.In this work,a post-modification strategy is proposed to precisely fabricate DACs for oxygen reduction electrocatalysis.Concretely,a secondary metal precursor is introduced to the primary single-atom sites to introduce direct metal-metal interaction,which ensures the formation of desired atom pair structure during the subsequent pyrolysis process and allows for successful construction of DACs.The as-prepared FeCo-NC DAC exhibits superior oxygen reduction electrocatalytic activity with a half-wave potential of 0,91 V vs.reversible hydrogen electrode.Zn-air batteries equipped with the FeCo-NC DAC demonstrate higher peak power density than those with the Pt/C benchmark.More importantly,this post-modification strategy is demonstrated universal to achieve a variety of dual-atom sites.This work presents an effective synthesis methodology for precise construction of catalytic materials and propels their applications in energy-related devices. 展开更多
关键词 Dual-atom catalysts ELECTROCATALYSIS Oxygen reduction reaction Post-modification Zinc–air batteries
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Parametric Optimization of Wheel Spoke Structure for Drag Reduction of an Ahmed Body
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作者 Huihui Zhai Dongqi Jiao Haichao Zhou 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第4期955-975,共21页
The wheels have a considerable influence on the aerodynamic properties and can contribute up to 25%of the total drag on modern vehicles.In this study,the effect of the wheel spoke structure on the aerodynamic performa... The wheels have a considerable influence on the aerodynamic properties and can contribute up to 25%of the total drag on modern vehicles.In this study,the effect of the wheel spoke structure on the aerodynamic performance of the isolated wheel is investigated.Subsequently,the 35°Ahmed body with an optimized spoke structure is used to analyze the flow behavior and the mechanism of drag reduction.The Fluent software is employed for this investigation,with an inlet velocity of 40 m/s.The accuracy of the numerical study is validated by comparing it with experimental results obtained from the classical Ahmed model.To gain a clearer understanding of the effects of the wheel spoke parameters on the aerodynamics of both the wheel and Ahmedmodel,and five design variables are proposed:the fillet angleα,the inside arc radius R1,the outside radius R2,and the same length of the chord L1 and L2.These variables characterize the wheel spoke structure.The Optimal Latin Hypercube designmethod is utilized to conduct the experimental design.Based on the simulation results of various wheel spoke designs,the Kriging model and the adaptive simulated annealing algorithm is selected to optimize the design parameters.The objective is to achieve the best combination for maximum drag reduction.It is indicated that the optimized spoke structure resulted in amaximum drag reduction of 5.7%and 4.7%for the drag coefficient of the isolated wheel and Ahmed body,respectively.The drag reduction is primarily attributed to changes in the flow state around the wheel,which suppressed separation bubbles.Additionally,it influenced the boundary layer thickness around the car body and reduced the turbulent kinetic energy in the wake flow.These effects collectively contributed to the observed drag reduction. 展开更多
关键词 Ahmed body wheel spoke design parameter optimization drag reduction numerical simulation
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Single-atom catalysts for the electrochemical reduction of carbon dioxide into hydrocarbons and oxygenates
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作者 Karl Adrian Gandionco Juwon Kim +2 位作者 Lieven Bekaert Annick Hubin Jongwoo Lim 《Carbon Energy》 SCIE EI CAS CSCD 2024年第3期64-117,共54页
The electrochemical reduction of carbon dioxide offers a sound and economically viable technology for the electrification and decarbonization of the chemical and fuel industries.In this technology,an electrocatalytic ... The electrochemical reduction of carbon dioxide offers a sound and economically viable technology for the electrification and decarbonization of the chemical and fuel industries.In this technology,an electrocatalytic material and renewable energy-generated electricity drive the conversion of carbon dioxide into high-value chemicals and carbon-neutral fuels.Over the past few years,single-atom catalysts have been intensively studied as they could provide near-unity atom utilization and unique catalytic performance.Single-atom catalysts have become one of the state-of-the-art catalyst materials for the electrochemical reduction of carbon dioxide into carbon monoxide.However,it remains a challenge for single-atom catalysts to facilitate the efficient conversion of carbon dioxide into products beyond carbon monoxide.In this review,we summarize and present important findings and critical insights from studies on the electrochemical carbon dioxide reduction reaction into hydrocarbons and oxygenates using single-atom catalysts.It is hoped that this review gives a thorough recapitulation and analysis of the science behind the catalysis of carbon dioxide into more reduced products through singleatom catalysts so that it can be a guide for future research and development on catalysts with industry-ready performance for the electrochemical reduction of carbon dioxide into high-value chemicals and carbon-neutral fuels. 展开更多
关键词 ELECTROCATALYSIS electrochemical CO_(2)reduction hydrocarbons OXYGENATES single-atom catalysts
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Atomically dispersed Mn-Nx catalysts derived from Mn-hexamine coordination frameworks for oxygen reduction reaction
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作者 Guoyu Zhong Liuyong Zou +10 位作者 Xiao Chi Zhen Meng Zehong Chen Tingzhen Li Yongfa Huang Xiaobo Fu Wenbo Liao Shaona Zheng Yongjun Xu Feng Peng Xinwen Peng 《Carbon Energy》 SCIE EI CAS CSCD 2024年第5期114-126,共13页
Metal-organic frameworks recently have been burgeoning and used as precursors to obtain various metal-nitrogen-carbon catalysts for oxygen reduction reaction(ORR).Although rarely studied,Mn-N-C is a promising catalyst... Metal-organic frameworks recently have been burgeoning and used as precursors to obtain various metal-nitrogen-carbon catalysts for oxygen reduction reaction(ORR).Although rarely studied,Mn-N-C is a promising catalyst for ORR due to its weak Fenton reaction activity and strong graphitization catalysis.Here,we developed a facile strategy for anchoring the atomically dispersed nitrogen-coordinated single Mn sites on carbon nanosheets(MnNCS)from an Mn-hexamine coordination framework.The atomically dispersed Mn-N4 sites were dispersed on ultrathin carbon nanosheets with a hierarchically porous structure.The optimized MnNCS displayed an excellent ORR performance in half-cells(0.89 V vs.reversible hydrogen electrode(RHE)in base and 0.76 V vs.RHE in acid in half-wave potential)and Zn-air batteries(233 mW cm^(−2)in peak power density),along with significantly enhanced stability.Density functional theory calculations further corroborated that the Mn-N4-C1_(2)site has favorable adsorption of*OH as the rate-determining step.These findings demonstrate that the metal-hexamine coordination framework can be used as a model system for the rational design of highly active atomic metal catalysts for energy applications. 展开更多
关键词 carbon nanosheets ELECTROCATALYST metal-organic frameworks Mn-N4 oxygen reduction reaction Zn-air batteries
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