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Hybrid modeling for carbon monoxide gas-phase catalytic coupling to synthesize dimethyl oxalate process

Chinese Journal of Chemical Engineering 2024年第6期70卷 234-250页

作者： Shida Gao Cuimei Bo Chao Jiang Quanling Zhang Genke Yang Jian Chu Ningbo artificial Intelligence Institute Shanghai Jiao Tong UniversityNingbo 315012China Department of Automation Shanghai Jiao Tong UniversityShanghai 200240China key laboratory of Industrial Internet+Safety Production of Hazardous Chemical Ministry of Emergency ManagementNanjing Tech UniversityNanjing 211816China

Ethylene glycol(EG)plays a pivotal role as a primary raw material in the polyester industry,and the syngas-to-EG route has become a significant technical route in *** carbon monoxide(CO)gas-phase catalytic coupling to synthesize dimethyl oxalate(DMO)is a crucial process in the syngas-to-EG route,whereby the composition of the reactor outlet exerts influence on the ultimate quality of the EG product and the energy consumption during the subsequent separation ***,measuring product quality in real time or establishing accurate dynamic mechanism models is *** effectively model the DMO synthesis process,this study proposes a hybrid modeling strategy that integrates process mechanisms and data-driven *** CO gas-phase catalytic coupling mechanism model is developed based on intrinsic kinetics and material balance,while a long short-term memory(LSTM)neural network is employed to predict the macroscopic reaction rate by leveraging temporal relationships derived from archived *** proposed model is trained semi-supervised to accommodate limited-label data scenarios,leveraging historical *** integrating these predictions with the mechanism model,the hybrid modeling approach provides reliable and interpretable forecasts of mass *** investigations unequivocally validate the superiority of the proposed hybrid modeling approach over conventional data-driven models(DDMs)and other hybrid modeling techniques.

关键词： Carbon monoxide Dynamic modeling Hybrid model Reaction kinetics Semi-supervised learning

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Mechanical properties of multi-scale germanium specimens from space solar cells under electron irradiation

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Chinese Journal of Aeronautics 2024年第1期37卷 173-185页

作者： Jian QIU Maliya HEINI Jusha MA Wenjia HAN Xunchun WANG Jun YIN Yan SHI Cunfa GAO State key laboratory of Mechanics and Control of Mechanical Structures Nanjing University of Aeronautics and AstronauticsNanjing 210016China School of Chemistry and Civil Engineering Shaoguan UniversityShaoguan 512005China key laboratory of Functional Materials and Devices for special Environments of Chinese Academy of Sciences Chinese Academy of SciencesUrumqi 830011China shanghai Institute of Space Power-Sources Shanghai 200245China

During long-term service in space,Gallium Arsenide(GaAs)solar cells are directly exposed to electron irradiation which usually causes a dramatic decrease in their *** the multilayer structure of solar cells,the germanium(Ge)layer occupies the majority of the thickness as the *** to the intrinsic brittleness of semiconductor material,there exist various defects during the preparation and assembly of solar cells,the influences of which tend to be intensified by the irradiation *** this work,first,Ge specimens for mechanical tests were prepared at scales from microscopic to ***,after different doses of electron irradiation,the mechanical properties of the Ge specimens were *** experimental results demonstrate that electron irradiation has an obvious effect on the mechanical property variation of Ge in diverse *** four-point bending test indicates that the elastic modulus,fracture strength,and maximum displacement of the Ge specimens all increase,and reach the maximum value at the irradiation dose of 1×10^(15)e/cm^(2).The micrometer scale cantilever and nanoindentation tests present similar trends for Ge specimens after *** Force Microscope(AFM)also observed the change in surface ***,a fitting model was established to characterize the relation between modulus change and electron irradiation dose.

关键词： Electron irradiation Germanium Mechanical properties Multi-scale Space solar cells

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A novel lightweight computerized ECG interpretation approach based on clinical 12-lead data

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Science China(Technological Sciences) 2024年第2期67卷 449-463页

作者： LIU YunQing QIN ChengJin LIU JinLei JIN YanRui LI ZhiYuan ZHAO LiQun LIU ChengLiang School of Mechanical Engineering Shanghai Jiao Tong UniversityShanghai 200240China key Labof artificial Intelligence(Ministryof Education) AI InstituteShanghai Jiao Tong UniversityShanghai 200240China Department of Cardiology Shanghai First Peoples Hospital Affiliated to Shanghai Jiao Tong UniversityShanghai 200080China

Although 12-lead electrocardiograms(ECGs)provide a wide range of spatiotemporal characteristics,interpreting them for arrhythmia detection is difficult due to a lack of reliable large-scale clinical ***,we proposed an innovative lightweight computerized ECG interpretation approach based on 12-lead *** model was trained,validated,and tested on 53845 standard 12-lead ECG records collected at shanghai First People’s Hospital in affiliation with shanghai Jiao Tong *** experiments revealed that our approach had a classification accuracy of 94.41%in the classification task of seven types of rhythms,which was markedly superior to related single-lead and 12-lead ECG classification ***,the average receiver operating characteristic area under the curve reached a value of 0.940,and the precision values for sinus tachycardia and sinus bradycardia were 0.945 and 0.91,respectively,with specificity values of 0.996 and *** employing our boosting method,we were able to improve the accuracy to 94.85%.To investigate the performance degradation of the proposed neural network in some classes,an ECG cardiologist was enlisted to review questionable ECGs;this process provides a promising direction for network performance ***,the proposed computerized ECG interpretation approach has practical significance because it could help professional physicians analyze patients’heart conditions based on real-time 12-lead ECG or grade their disease severity in advance.

关键词： computerized ECG interpretation large-scale 12-lead clinical ECG database lightweight neural network

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Comprehensive study of the ultrafast photoexcited carrier dynamics in Sb_(2)Te_(3)–GeTe superlattices

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Chinese Physics B 2024年第7期33卷 381-387页

作者：叶之江金钻明蒋叶昕卢琦贾梦辉钱冬黄夏敏李舟彭滟朱亦鸣 Terahertz Technology Innovation Research Institute Terahertz Spectrum and Imaging Technology Cooperative Innovation CenterShanghai Key Laboratory of Modern Optical SystemUniversity of Shanghai for Science and TechnologyShanghai 200093China shanghai Institute of Intelligent Science and Technology Tongji UniversityShanghai 200092China key laboratory of artificial Structures and Quantum Control(Ministry of Education) Shenyang National Laboratory for Materials ScienceSchool of Physics and AstronomyShanghai Jiao Tong UniversityShanghai 200240China Tsung-Dao Lee Institute Shanghai Jiao Tong UniversityShanghai 200240China State key laboratory of Precision Spectroscopy East China Normal UniversityShanghai 200062China GBA Branch of Aerospace Information Research Institute Chinese Academy of SciencesGuangzhou 510700China Guangdong Provincial key laboratory of Terahertz Quantum Electromagnetics Guangzhou 510700China University of Chinese Academy of Sciences Beijing 100039China

Chalcogenide superlattices Sb_(2)Te_(3)-GeTe is a candidate for interfacial phase-change memory(iPCM) data storage *** employing terahertz emission spectroscopy and the transient reflectance spectroscopy together,we investigate the ultrafast photoexcited carrier dynamics and current transients in Sb_(2)Te_(3)-GeTe *** orientation and excitation polarization dependences of the THz emission confirm that ultrafast thermo-electric,shift and injection currents contribute to the THz generation in Sb_(2)Te_(3)-GeTe *** decreasing the thickness and increasing the number of GeTe and Sb_(2)Te_(3) layer,the interlayer coupling can be enhanced,which significantly reduces the contribution from circular photo-galvanic effect(CPGE).A photo-induced bleaching in the transient reflectance spectroscopy probed in the range of~1100 nm to~1400 nm further demonstrates a gapped state resulting from the interlayer *** demonstrates play an important role in the development of iPCM-based high-speed optoelectronic devices.

关键词： Sb_(2)Te_(3)/GeTe superlattices ultrafast carrier dynamics interfacial phase change memory THz emission spectroscopy transient reflectance spectroscopy

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Multiple factors influencing high-purity indium electrolytic refining

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Chinese Journal of Chemical Engineering 2024年第7期71卷 148-160页

作者： Hong-Qiang Fan Fei Li Hong-Xing Zheng Wu-ji Pan Mei-Zhen Wu Yashar Behnamian Ju-Bo Peng Dong-Hai Lin State key laboratory of Advanced special Steel&School of Materials Science and Engineering Shanghai UniversityShanghai 200444China shanghai Engineering Research Center for Integrated Circuits and Advanced Display Materials Shanghai UniversityShanghai 200444China Research&Development Center Yunnan Tin Group(Holding)Limited CompanyKunming 650032China Department of Chemical and Materials Engineering University of AlbertaEdmonton T6G 2V4AlbertaCanada School of Energy and Materials Shanghai Key Laboratory of Engineering Materials Application and EvaluationShanghai Polytechnic UniversityShanghai 201209China

The effects of various contaminants in the electrolytic refinement of indium were investigated using a glow discharge mass spectrometer(GDMS).The effects of several factors such as the indium ion(In3+)concentration,the sodium chloride(NaCl)concentration,the current density,the gelatin concentration,the pH,and the electrode distance,were *** variations in impurity levels concerning gelatin concentration were *** the gelatin and In3+concentration were moderately positively correlated with the Pb *** Sb concentration was associated positively with the NaCl concentration,while the Ti concentration had an adverse correlation with the NaCl *** Bi element content was positively linked to the electrode *** the current density increased,Cu,Pb,and Bi impurities initially rose and then eventually ***,a critical current density of 45 A·m^(-2) was identified in this behavior.

关键词： High-purity indium Electrolysis Multiple factors Electrochemistry Purification

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Combining permissioned blockchain and Bayesian best-worst method for transparent supplier selection in supply chain management

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Science China(Technological Sciences) 2024年第8期67卷 2579-2593页

作者： LIU JiaJun ZHANG Jie LENG JieWu shanghai Engineering Research Center of Industrial Big Data and Intelligent System Institute of Artificial IntelligenceDonghua UniversityShanghai 201620China State key laboratory of Precision Electronic Manufacturing Technology and Equipment Guangdong University of TechnologyGuangzhou 510006China

Supplier selection is an important business activity in order to realize the purchasing function in supply chain *** supplier selection process includes four stages,i.e.,bidding inviting,bidding,group decision-making,and results disclosure,involving the participation of manufacturing service demanders(MSDs),manufacturing service suppliers(MSSs),and ***,all the participants have raised concerns about the increased transparency in supplier ***,this study proposes a transparent supplier selection method by considering the engagement of *** this method,the Bayesian best-worst method(Bayesian BWM)is used to aggregate decision-makers'preferences into the overall optimal weights of the alternative MSSs,and the MSS with the largest weight is considered the suitable MSS for ***,blockchain is introduced to record the decision-making process information about supplier selection through a customized smart contract,where MSSs act as supervisors to supervise the decision-making process through the distributed consensus mechanism rather than directly participate in the decision-making ***,a case study of supplier selection in purchasing vibration acceleration sensors is *** result shows that the proposed method can support MSDs in selecting suitable MSS from alternative MSSs by aggregating decision-makers'preferences,and blockchain can provide credible information about the supplier selection process for MSSs,MSDs,and *** this way,the transparency of supplier selection is enhanced.

关键词： blockchain supplier selection supply chain transparency Bayesian BWM group decision-making

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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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Highlights of mainstream solar cell efficiencies in 2023

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Frontiers in Energy 2024年第1期18卷 8-15页

作者： Wenzhong SHEN Yixin ZHAO Feng LIU Institute of Solar Energy and Key Laboratory of Artificial Structures and Quantum Control(Ministry of Education)School of Physics and AstronomyShanghai Jiao Tong UniversityShanghai 200240China School of Environmental Science and Engineering and Frontiers Science Center for Transformative MoleculesShanghai Jiao Tong UniversityShanghai 200240China School of Chemistry and Chemical Engineering and Frontiers Science Center for Transformative MoleculesShanghai Jiao Tong UniversityShanghai 200240China

This article continues our highlights last two years[1,2]on the highest independently confirmed mainstream(silicon,perovskite,and organic)solar cell efficiencies in *** world record power conversion efficiency(PCE)of the single-junction silicon and perovskite/silicon tandem solar cells has reached over 27%and close to 34%,respectively,in *** have also witnessed the rapid mass-production development of the silicon passivating contact and silicon back contact solar cells,as well as further progress with perovskite solar cells(PSCs).

关键词： perovskite mainstream fir

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Photocatalytic vinyl radical-mediated multicomponent 1,4-/1,8-carboimination across alkynes and olefins/(hetero)arenes

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Science China Chemistry 2024年第2期67卷 558-567页

作者： Shan-Shan Li Yu-Shi Jiang Xue-Ling Luo Xuming Ran Yuqiang Li Dong Wu Cheng-Xue Pan Peng-Ju Xia School of Chemistry and Pharmaceutical Sciences Guangxi Normal UniversityGuilin541004China shanghai artificial Intelligence laboratory Shanghai200433China The Institute for Advanced Studies Wuhan UniversityWuhan430064China

We developed a highly selective and efficient multicomponent transformation by utilizing alkynes and olefins/(hetero)arenes through photoinduced energy-transfer *** reaction involves the formation of three distinct chemical bonds,namely C(sp~3)–C(sp~2),C(sp~2)–C(sp~3),and C(sp~3)–N,in a single coordinated *** strategy used a vinyl radical-mediated radical relay approach under mild conditions,exhibiting a broad substrate scope(>70 examples),excellent functional-group tolerance,and remarkable regio-and *** the utilization of a combination of experimental techniques and density functional theory(DFT),we delved deeper into the mechanistic intricacies of this distinctive *** revealed that the selective radical addition to electron-deficient alkynes,rather than olefins,was governed by the inherent reactivity of alkyl *** discovery presented a highly effective approach for the synthesis of stereodefined multisubstituted alkenes.

关键词： alkyne-olefin coupling DFT studies regio-and anti-stereoselectivity multisubstituted alkenes

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A hybrid nickel/iron-pyromellitic acid electrocatalyst for oxygen evolution reaction

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Nano Research 2024年第4期17卷 2481-2491页

作者： Guoqi Li Lin Li Wenlong Li Fusheng Li Chunze Yuan Nian Zhang Hui Zhang Tsu-Chien Weng School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China Center for Transformative Science ShanghaiTech UniversityShanghai 201210China State key Lab of Fine Chemicals Institute of Artificial PhotosynthesisDUT-KTH Joint Education and Research Center on Molecular DevicesDalian University of Technology(DUT)Dalian 116024China State key laboratory of Functional Materials for Informatics Shanghai Institute of Microsystem and Information TechnologyChinese Academy of SciencesShanghai 200050China

The migration of protons during the oxygen evolution reaction(OER)is a key factor that affects the performance of OER *** enhance proton transportation,we designed a catalyst based on nickel/iron-pyromellitic acid(NiFe-PMA)prepared by the electrochemical deposition *** catalyst exhibited a low overpotential of 188 mV at a current density of 10 mA·cm^(-2),a Tafel slope of 28.2 mV·dec^(-1),and long-term stability for 30 days with a current of 50 mA·cm^(-2).We characterized the NiFe-PMA catalyst using various techniques,including Fourier transform infrared(FTIR)spectroscopy,Raman spectroscopy,X-ray photoelectron spectroscopy(XPS),X-ray absorption spectroscopy(XAS),transmission electron microscopy(TEM),scanning electron microscopy(SEM),and inductively coupled plasma-optical emission spectrometry(ICP-OES).Our results showed that NiFe-PMA contains nickel,iron atoms,and both coordinated and uncoordinated carboxylate ***,XPS data confirmed that carboxylate ligands could adjust the outer electronic structure of metal ions,resulting in the high valence state of Ni in *** result of XAS indicated that the nickel atoms present in the catalyst might be easier to maintain a higher chemical *** investigations using kinetic isotope effects(KIEs)and proton inventory revealed that the uncoordinated carboxylic protons played a crucial role in receiving protons during the OER,which promoted the proton transfer of the rate-determining step of the *** novel electrocatalysts provide a new strategy for designing more active and cost-effective catalysts for the OER.

关键词： nickel/iron-pyromellitic acid oxygen evolution reaction kinetic isotope effects

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