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First-principles study on the heterogeneous formation of environmentally persistent free radicals(EPFRs)overα-Fe2O3(0001)surface:Effect of oxygen vacancy

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Journal of Environmental Sciences 2024年第8期142卷 279-289页

作者： Wenxiao Pan Shuming He Qiao Xue xian Liu Jianjie fu Kang Xiao Aiqian Zhang State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China School of Environment Hangzhou Institute for Advanced StudyUniversity of Chinese Academy of SciencesHangzhou 310012China College of Resources and Environment University of Chinese Academy of SciencesBeijing 100049China Beijing Yanshan Earth Critical Zone National Research Station University of Chinese Academy of SciencesBeijing 101408China

Metal oxides with oxygen vacancies have a significant impact on catalytic activity for the transformation of organic pollutants in waste-to-energy(WtE)incineration *** study aims to investigate the influence of hematite surface oxygen point defects on the formation of environmentally persistent free radicals(EPFRs)from phenolic compounds based on the first-principles *** oxygen-deficient conditions were considered:oxygen vacancies at the top surface and on the *** simulations indicate that the adsorption strength of phenol on theα-Fe_(2)O_(3)(0001)surface is enhanced by the presence of oxygen ***,the presence of oxygen vacancies has a negative impact on the dissociation of the phenol molecule,particularly for the surface with a defective point at the top ***-kinetic parameters were established over a temperature range of300-1000 K,and lower reaction rate constants were observed for the scission of phenolic O-H bonds over the oxygen-deficient surfaces compared to the pristine *** negative effects caused by the oxygen-deficient conditions could be attributed to the local reduction of FeⅢto FeⅡ,which lower the oxidizing ability of surface reaction *** findings of this study provide us a promising approach to regulate the formation of EPFRs.

关键词： EPFR formation Phenol dissociation Oxygen-vacancy impact Hematite surface First-principles calculation

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Highly Improved Creep Resistance in Polypropylene Through Thermally Reduced Graphene Oxide and Its Creep Lifetime Prediction

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Chinese Journal of Polymer Science 2024年第2期42卷 256-266,I0010页

作者： Can-Can Zhang jun-Long Yang Ya-Jiang Huang Guang-xian Li College of Polymer Science and Engineering State Key Laboratory of Polymer Materials Engineering of ChinaSichuan UniversityChengdu610065China

Polypropylene(PP) exhibits suboptimal creep resistance due to the presence of methyl groups on its main chain, leading to irregular chain segment distribution, diminished inter-chain interaction, and crystallinity. This structural feature causes chain slippage in PP under stress,significantly constraining its service lifetime. In this study, thermally reduced graphene oxide(TrGO) nanosheets were incorporated into the PP matrix, yielding a nanocomposite with exceptional creep resistance performance. Results demonstrated that at a stress of 25 MPa, a 2.0 wt% TrGO content could enhance the creep failure lifetime of PP by 21.5 times compared to neat PP. Rheology, transmission electron microscopy(TEM),and scanning electron microscopy(SEM) characterization techniques were employed to analyze the mechanism of TrGO's influence on PP's creep behavior. It was observed that when TrGO content exceeded 1.0 wt%, an effective particle network structure formed within the PP matrix. This homogeneously dispersed TrGO-formed particle network structure restricted the migration and rearrangement of PP molecular chains, enabling prolonged stress resistance without structural failure. By combining the time-strain superposition method with the critical failure strain as a criterion, generalized creep compliance curves for PP and its composites were established, facilitating the prediction of material creep failure lifetimes, with a strong agreement between experimental and predicted lifetime values. This research proposes a novel strategy aimed at developing polypropylene materials and products with enhanced long-term stability and durability, thus extending service life, reducing failure risk, and broadening their potential across various application domains.

关键词： Thermally reduced graphene oxide Polypropylene Creep failure and lifetime prediction

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Metal-N_(4)model single‐atom catalyst with electroneutral quadri‐pyridine macrocyclic ligand for CO_(2)electroreduction

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Carbon Energy 2024年第8期6卷 122-133页

作者： Jian‐Zhao Peng Yin‐Long Li Yao‐Ti Cheng fu‐Zhi Li Bo Cao Qing Wang xian Yue Guo‐Tao Lai Yang‐Gang Wang jun Gu Department of Chemistry Southern University of Science and TechnologyShenzhenGuangdongChina Institute for Catalysis Hokkaido UniversitySapporoJapan

Metal–N–C single‐atom catalysts,mostly prepared from pyrolysis of metalorganic precursors,are widely used in heterogeneous *** metal sites with diverse local structures coexist in this type of material and it is challenging to characterize the local structure,a reliable structure–property relationship is difficult to *** macrocyclic complexes adsorbed on carbon support are well‐defined models to mimic the singleatom ***–N_(4)site with four electroneutral pyridine‐type ligands embedded in a graphene layer is the most commonly proposed structure of the active site of single‐atom catalysts,but its molecular counterpart has not been *** this work,we synthesized the conjugated macrocyclic complexes with a metal center(Co,Fe,or Ni)coordinated with four electroneutral pyridinic ligands as model catalysts for CO_(2)*** comparison,the complexes with anionic quadri‐pyridine macrocyclic ligand were also *** Co complex with the electroneutral ligand expressed a turnover frequency of CO formation more than an order of magnitude higher than that of the Co complex with the anionic *** ab initio molecular dynamics simulations based on the well‐defined structures of the model catalysts indicate that the Co complex with the electroneutral ligand possesses a stronger ability to mediate electron transfer from carbon to CO_(2).

关键词： ab initio molecular dynamics CO_(2)reduction electrocatalysis model catalyst single‐atom catalyst

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Design and construction of charged-particle telescope array for study of exotic nuclear clustering structure

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Nuclear Science and Techniques 2024年第8期35卷 114-123页

作者： Zheng‑Li Liao Xi‑Guang Cao Yu‑Xuan Yang Chang‑Bo fu xian‑Gai Deng Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China University of Chinese Academy of Sciences Beijing 100049China Shanghai Advanced Research Institute Chinese Academy of SciencesShanghai 201210China Zhengzhou University Zhengzhou 450001China Key Laboratory of Nuclear Physics and Ion‑beam Application(MOE) Institute of Modern PhysicsFudan UniversityShanghai 200433China Shanghai Research Center for Theoretical Nuclear Physics NSFC and fudan University Shanghai 200438China

The exploration of exotic shapes and properties of atomic nuclei,e.g.,αcluster and toroidal shape,is a fascinating field in nuclear *** study the decay of these nuclei,a novel detector aimed at detecting multipleα-particle events was designed and *** detector comprises two layers of double-sided silicon strip detectors(DSSD)and a cesium iodide scintillator array coupled with silicon photomultipliers array as light sensors,which has the advantages of their small size,fast response,and large dynamic *** coupled with cesium iodide crystal arrays are used to distinguish multipleα*** detector array has a compact and integrated design that can be adapted to different experimental *** detector array was simulated using Geant4,and the excitation energy spectra of someα-clustering nuclei were reconstructed to demonstrate the *** simulation results show that the detector array has excellent angular and energy resolutions,enabling effective reconstruction of the nuclear excited state by multipleαparticle *** detector offers a new and powerful tool for nuclear physics experiments and has the potential to discover interesting physical phenomena related to exotic nuclear structures and their decay mechanisms.

关键词： Cluster decay Toroidal structure Telescope array SiPM Energy resolution

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Enhanced bioethanol production from sugarcane bagasse: combination of liquid hot water and deep eutectic solvent pretreatment for optimized enzymatic saccharification

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FRONTIERS OF CHEMICAL SCIENCE AND ENGINEERING 2024年第8期18卷 85-0页

作者： xian, Xiaoling Li, Biying Feng, Shiyong Huang, Jiale fu, Xinyuan Wu, Ting Lin, Xiaoqing Guangdong Univ Technol Sch Chem Engn & Light Ind Guangdong Prov Key Lab Plant Resources Biorefinery Guangzhou 510006 Peoples R China

In the present study, a sustainable pretreatment methodology combining liquid hot water and deep eutectic solvent is proposed for the efficient fractionation of hemicellulose, cellulose, and lignin from sugarcane bagasse, thereby facilitating the comprehensive utilization of both C5 and C6 sugars. The application of this combined pretreatment strategy to sugarcane bagasse led to notable enhancements in enzymatic saccharification and subsequent fermentation. Experiment results demonstrate that liquid hot water-deep eutectic solvent pretreatment yielded 85.05 +/- 0.66 gL-1 of total fermentable sugar (glucose: 60.96 +/- 0.21 gL-1, xylose: 24.09 +/- 0.87 gL-1) through enzymatic saccharification of sugarcane bagasse. furthermore, fermentation of the pretreated sugarcane bagasse hydrolysate yielded 34.33 +/- 3.15 gL-1 of bioethanol. These findings confirm the effectiveness of liquid hot water-deep eutectic solvent pretreatment in separating lignocellulosic components, thus presenting a sustainable and promising pretreatment method for maximizing the valuable utilization of biomass resources.

关键词： sugar cane bagasse synergistic pretreatment enzymatic saccharification ethanol PSEUDO-LIGNIN FORMATION CANE BAGASSE BIOfuELS

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A 27 GHz,simple 2-bit 1×8 phased array

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Journal of Electronic Science and Technology 2024年第3期22卷 26-34页

作者： jun-xian Liu Yun-Ying Man Hao Yang Peng Yang School of Electronic Science and Engineering University of Electronic Science and Technology of ChinaChengdu611731China

This study demonstrates a simple 2-bit phased array operating at 27 GHz that supports one-dimensional beam scanning with left-handed circular polarization(LHCP).The antenna is constructed using a compact four-layer printed circuit board(PCB)structure,consisting of a 90°phase shifter layer with microstrip structures,a ground(GND)layer,a direct current(DC)control layer,and a circularly polarized annular radiation patch layer with 1-bit phase *** on the proposed unit structure,a 1×8 array with half-wavelength inter-element spacing was designed and *** results show that the array achieves a peak gain of 10.23 dBi and is capable of beam scanning within±50°.

关键词： 27 GHz 2-bit P-i-n diodes Phased array Reconfigurable antennas

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Risk assessment of oil and gas investment environment in countries along the Belt and Road Initiative

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Petroleum Science 2024年第2期21卷 1429-1443页

作者： Bao-jun Tang Chang-Jing Ji Yu-xian Zheng Kang-Ning Liu Yi-Fei Ma jun-Yu Chen Center for Energy and Environmental Policy Research Beijing Institute of TechnologyBeijing100081China School of Management and Economics Beijing Institute of TechnologyBeijing100081China Collaborative Innovation Center of Electric Vehicles in Beijing BeijingChina Sustainable Development Research Institute for Economy and Society of Beijing BeijingChina Institute of Carbon Neutrality ShanghaiTech UniversityShanghai201210China

With the implementation of the Belt and Road Initiative, China is deepening its cooperation in oil and gas resources with countries along the Initiative. In order to better mitigate risks and enhance the safety of investments, it is of significant importance to research the oil and gas investment environment in these countries for China's overseas investment macro-layout. This paper proposes an indicator system including 27 indicators from 6 dimensions. On this basis, game theory models combined with global entropy method and analytic hierarchy process are applied to determine the combined weights, and the TOPSIS-GRA model is utilized to assess the risks of oil and gas investment in 76 countries along the Initiative from 2014 to 2021. Finally, the GM(1,1) model is employed to predict risk values for 2022-2025. In conclusion, oil and gas resources and political factors have the greatest impact on investment environment risk, and 12 countries with greater investment potential are selected through cluster analysis in conjunction with the predicted results. The research findings may provide scientific decisionmaking recommendations for the Chinese government and oil enterprises to strengthen oil and gas investment cooperation with countries along the Belt and Road Initiative.

关键词： Belt and Road Initiative Oil and Gas Investment Risk assessment

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A New Industrial Intrusion Detection Method Based on CNN-BiLSTM

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Computers, Materials & Continua 2024年第6期79卷 4297-4318页

作者： jun Wang Changfu Si Zhen Wang Qiang fu College of Computer Science and Technology Shenyang University of Chemical TechnologyShenyang110142China

Nowadays,with the rapid development of industrial Internet technology,on the one hand,advanced industrial control systems(ICS)have improved industrial production ***,there are more and more cyber-attacks targeting industrial control *** ensure the security of industrial networks,intrusion detection systems have been widely used in industrial control systems,and deep neural networks have always been an effective method for identifying cyber *** intrusion detection methods still suffer from low accuracy and a high false alarm ***,it is important to build a more efficient intrusion detection *** paper proposes a hybrid deep learning intrusion detection method based on convolutional neural networks and bidirectional long short-term memory neural networks(CNN-BiLSTM).To address the issue of imbalanced data within the dataset and improve the model’s detection capabilities,the Synthetic Minority Over-sampling Technique-Edited Nearest Neighbors(SMOTE-ENN)algorithm is applied in the preprocessing *** algorithm is employed to generate synthetic instances for the minority class,simultaneously mitigating the impact of noise in the majority *** approach aims to create a more equitable distribution of classes,thereby enhancing the model’s ability to effectively identify patterns in both minority and majority *** the experimental phase,the detection performance of the method is verified using two data *** results show that the accuracy rate on the CICIDS-2017 data set reaches 97.7%.On the natural gas pipeline dataset collected by Lan Turnipseed from Mississippi State University in the United States,the accuracy rate also reaches 85.5%.

关键词： Intrusion detection convolutional neural network bidirectional long short-term memory neural network multi-head self-attention mechanism

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Switched-capacitor Based Seven-level Boost Inverter with a Reduced Number of Devices

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CSEE Journal of Power and Energy Systems 2024年第1期10卷 381-391页

作者： Weijie Lin jun Zeng Bo fu Zhixing Yan junfeng Liu School of Electric Power Engineering South China University of TechnologyGuangzhou 510641China WISDRI Engineering&Research Incorporation Limited Wuhan 430074China Department of Energy Aalborg UniversityAalborg 9220Denmark School of Automation Science and Engineering South China University of TechnologyGuangzhou 510641China

The conventional multilevel inverters(MLIs)have the disadvantages of numerous devices,incapacity of boost,unbalance for capacitor’s voltage,high complexity for control,and *** by this issue,a seven-level boost inverter(7LBI)based on a switched capacitor is presented for singlephase applications in this *** proposed 7LBI using only seven transistors can achieve seven output levels,1.5 voltage gain,and natural balance of capacitors’voltages without sensors or other auxiliary methods,which illustrates its suitability for the applications of renewable energy *** configuration of topology and operating principles are illustrated in *** natural balance of capacitors and capacitance calculations are deduced as ***,the comparative study is conducted for different types of *** results illustrate the merits of the proposed 7LBI with respect to reduced devices,lower voltage stress,and less power ***,a simulation for the proposed 7LBI with PWM modulation is realized based on the theoretical analysis;an experimental prototype is also implemented,verifying multilevel output,boost ability,natural balance for switched capacitors,and performance of transient response.

关键词： Multilevel inverters voltage gain natural balance renewable energy generation reduced number of elements

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Reaction mechanism between Al_(2)O_(3)–MgO refractory materials and rare earth high-carbon heavy rail steel

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Journal of Iron and Steel Research International 2024年第5期31卷 1153-1163页

作者： Yi Wang Guang-jie Song Ping Shen Jian-zhong He Da-xian Zhang Jian-xun fu Center for Advanced Solidification Technology(CAST) School of Materials Science and EngineeringState Key Laboratory of Advanced Special SteelShanghai UniversityShanghai200444China State Key Laboratory of Baiyunebo Rare Earth Resources Research and Comprehensive Utilization Baotou014030Inner MongoliaChina Inner Mongolia Baotou Steel Union Co. Ltd.Baotou014030Inner MongoliaChina

Submerged entry nozzle(SEN)clogging is a major problem affecting the production quality of rare earth steel,and finding a suitable refractory outlet can significantly reduce production *** explore the relationship between refractory composition and interface interaction,unprotected coated Al_(2)O_(3)–MgO refractories and SiO2-coated Al_(2)O_(3)–MgO refractories were added to rare earth high-carbon heavy rail steel under laboratory conditions,and the Al_(2)O_(3)–MgO refractory was found to be more *** results show that,from the epoxy resin side to the refractory side,the contour of the refractory interface reaction layer can be divided into two main layers:an iron-rich reaction layer and an iron-poor reaction *** based on the spherical model suggest that the adhesion force is proportional to the size of the refractory particles and inclusions,and the same result applies to the surface *** the inclusions at a smaller size has a specific effect on alleviating the erosion of *** with the erosion mechanism of Al_(2)O_(3)–MgO refractories,the interface reaction mechanism between Al_(2)O_(3)–MgO refractories and molten steel was proposed,which provides ideas for solving SEN clogging.

关键词： Rare earth high-carbon heavy rail steel Al_(2)O_(3)-MgO refractory Adhesion Surface tension Interface interaction

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