检索结果-南通市图书馆

International Journal of Minerals,Metallurgy and Materials 2024年第6期31卷 1228-1240页

作者： Quan shi Jue Tang Mansheng Chu School of Metallurgy Northeastern UniversityShenyang 110819China Institute for Frontier Technologies of Low-carbon Steelmaking Northeastern UniversityShenyang 110819China engineering Research Center of Frontier Technologies for Low-carbon Steelmaking(Ministry of Education) Shenyang 110819China

The prediction and control of furnace heat indicators are of great importance for improving the heat levels and conditions of the complex and difficult-to-operate hour-class delay blast furnace(BF)*** this work,a prediction and feedback model of furnace heat indicators based on the fusion of data-driven and BF ironmaking processes was *** data on raw and fuel materials,process op-eration,smelting state,and slag and iron discharge during the whole BF process comprised 171 variables with 9223 groups of data and were comprehensively analyzed.A novel method for the delay analysis of furnace heat indicators was *** extracted delay variables were found to play an important role in *** method that combined the genetic algorithm and stacking efficiently im-proved performance compared with the traditional machine learning algorithm in improving the hit ratio of the furnace heat prediction *** hit ratio for predicting the temperature of hot metal in the error range of±10℃ was 92.4%,and that for the chemical heat of hot metal in the error range of±0.1wt%was 93.3%.On the basis of the furnace heat prediction model and expert experience,a feedback model of furnace heat operation was established to obtain quantitative operation suggestions for stabilizing BF heat *** sugges-tions were highly accepted by BF ***,the comprehensive and dynamic model proposed in this work was successfully ap-plied in a practical BF *** improved the BF temperature level remarkably,increasing the furnace temperature stability rate from 54.9%to 84.9%.This improvement achieved considerable economic benefits.

关键词： blast furnace furnace heat genetic algorithm stacking prediction and feedback

Interface structure of α-Mg/14H-LPSO:First-principles prediction and experimental study

在线全文

学校读者我要写书评

暂无评论

Journal of Rare Earths 2024年第9期42卷 1792-1799,I0006页

作者： Yuan shi Xiaohua Zhang Hongyan Yue Chao Li School of Materials science and chemical engineering Harbin University of Science and TechnologyHarbin150040China

The interfacial structure of the α-Mg/14H-LPSO phase in rare earth-including magnesium alloy was investigated via high-angle annular dark-field scanning transmission electron microscopy(HAADFSTEM) imaging and first-principles calculations of density-functional *** possible interfacial models were constructed according to the different terminations of the LPSO phase,and the corresponding interfacial energies were calculated,from which the four most stable structures(Terl-MgY-hollow,Ter2-Zn-hollow,Ter3-MgYII-hollow and Ter4-Mg-bridge) were *** interfacial phase diagrams related to the Y chemical potentials were obtained from the calculations,and the most stable interfacial structure was ***-MgY-hollow and Ter2-Zn-hollow have the lowest interfacial energies in the range of-0.7 eV <Δμγ<-0.6 eV,where fluctuating change of state is the minimized and the interface is the most *** separation work of the two models was calculated to predict the bonding strength of the structures at both ends of the *** calculation results show that the maximum interfacial separation work is 1.45 J/m^(2) for the interface model of α-Mg and 14H-LPSO phase structure with Ter2-Zn-hollow termination.

关键词： Rare earths Magnesium alloy HAADF-STEM LPSO First-principles Interface

Thermal Decomposition and Oxidative Decomposition Mechanism of HFC-134a by Experimental and DFT Method

在线全文

学校读者我要写书评

暂无评论

Journal of Thermal science 2024年第5期33卷 1990-2003页

作者： XU Yunting ZHANG Kai DAI Xiaoye shi Lin Key Laboratory for Thermal science and Power engineering of Ministry of Education Department of Energy and Power EngineeringTsinghua UniversityBeijing 100084China

In response to the Kigali Amendment to the Montreal Protocol and global low-carbon emission environmental requirements,the phase-out and decomposition of numerous HFC refrigerants have become urgent,necessitating efficient and mild decomposition *** study investigates the thermal decomposition and oxidative thermal decomposition pathways of the typical hydrofluorocarbon refrigerant HFC-134a,employing a combination of experimental and quantum chemical DFT simulation *** chemical simulations reveal that the initial reaction bond cleavage serves as the rate-determining step during the thermal decomposition process,with the most easily detectable closed-shell products including CF_(2)=CHF,HF,CH_(3)F,CHF_(3),CH_(2)F_(2),and CF_(4).Reactive oxygen species can significantly reduce the Gibbs free energy barrier for HFC-134a *** achieve efficient degradation of HFC-134a,appropriate catalysts should be developed and selected to increase the level of reactive oxygen species in the reaction *** studies further corroborate that HFC-134a may undergo degradation through distinct reaction pathways under varying temperature(240℃to360℃)and pressure(0.1 MPa to 4.5 MPa)conditions,in agreement with simulation predictions.

关键词： HFC-134a pyrolysis oxidative thermal decomposition DFT refrigerant

Role of catalyst surface-active sites in the hydrogenation ofα,β-unsaturated aldehyde

在线全文

学校读者我要写书评

暂无评论

Frontiers of chemical science and engineering 2024年第6期18卷 41-69页

作者： Haixiang shi Tongming Su Zuzeng Qin Hongbing Ji School of Chemistry and chemical engineering Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification TechnologyGuangxi UniversityNanning 530004China Zhejiang Green Petrochemical and Light Hydrocarbon Transformation Research Institute Zhejiang University of TechnologyHangzhou 310014China

As an important technology in fine chemical production,the selective hydrogenation ofα,β-unsaturated aldehydes has attracted much attention in recent *** the process ofα,β-unsaturated aldehyde hydrogenation,a conjugated system is formed between>C=CC=O,leading to hydrogenation at both ends of the conjugated system,which competes with each other and results in more complex ***,improving the reaction selectivity is also difficult in industrial ***,many researchers have reported that surface-active sites on catalysts play a crucial role inα,β-unsaturated aldehyde *** review attempts to summarize recent advances in understanding the effects of surface-active sites(SASs)over metal catalysts for enhancing the process of *** construction strategies and roles of SASs for hydrogenation catalysts are *** attention has been given to the adsorption configuration and transformation mechanism ofα,β-unsaturated aldehydes on catalysts,which contributes to understanding the relationship between SASs and hydrogenation *** addition,recent advances in metal-supported catalysts for the selective hydrogenation ofα,β-unsaturated aldehydes to understand the role of SASs in hydrogenation are briefly ***,the opportunities and challenges will be highlighted for the future development of the precise construction of SASs.

关键词： α,β-unsaturatedd aldehydes hydrogenation active site cinnamaldehyde

Hierarchical multihead self-attention for time-series-based fault diagnosis

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Chinese Journal of chemical engineering 2024年第6期70卷 104-117页

作者： Chengtian Wang Hongbo shi Bing Song Yang Tao Key Laboratory of Smart Manufacturing in Energy chemical Process of the Ministry of Education East China University of Science and TechnologyShanghai 200237China

Fault diagnosis is important for maintaining the safety and effectiveness of chemical *** the multivariate,nonlinear,and dynamic characteristic of chemical process,many time-series-based data-driven fault diagnosis methods have been developed in recent ***,the existing methods have the problem of long-term dependency and are difficult to train due to the sequential way of *** overcome these problems,a novel fault diagnosis method based on time-series and the hierarchical multihead self-attention(HMSAN)is proposed for chemical ***,a sliding window strategy is adopted to construct the normalized time-series ***,the HMSAN is developed to extract the time-relevant features from the time-series process *** improves the basic self-attention model in both width and *** the multihead structure,the HMSAN can pay attention to different aspects of the complicated chemical process and obtain the global dynamic ***,the multiple heads in parallel lead to redundant information,which cannot improve the diagnosis *** the hierarchical structure,the redundant information is reduced and the deep local time-related features are further ***,a novel many-to-one training strategy is introduced for HMSAN to simplify the training procedure and capture the long-term ***,the effectiveness of the proposed method is demonstrated by two chemical *** experimental results show that the proposed method achieves a great performance on time-series industrial data and outperforms the state-of-the-art approaches.

关键词： Self-attention mechanism Deep learning chemical process Time-series Fault diagnosis

Nano-Au-decorated hierarchical porous cobalt sulfide derived from ZIF-67 toward optimized oxygen evolution catalysis:Important roles of microstructures and electronic modulation

在线全文

学校读者我要写书评

暂无评论

Carbon Energy 2024年第5期6卷 1-14页

作者： Hongyu Gong Guanliang Sun Wenhua shi Dongwei Li Xiangjun Zheng Huan shi Xiu Liang Ruizhi Yang Changzhou Yuan Department of New Energy Materials School of Environmental and Chemical EngineeringJiangsu University of Science and TechnologyZhenjiangJiangsuChina Advanced Materials Institute Qilu University of Technology(Shandong Academy of Sciences)JinanShandongChina Shandong Saikesaisi Hydrogen Energy Co. Ltd.JinanShandongChina Department of Materials science and engineering School of Materials Science&EngineeringUniversity of JinanJinanShandongChina Department of New Energy science and engineering College of EnergySoochow Institute for Energy and Materials InnovationsSoochow UniversitySuzhouJiangsuChina

Enhancing both the number of active sites available and the intrinsic activity of Co-based electrocatalysts simultaneously is a desirable ***,a ZIF-67-derived hierarchical porous cobalt sulfide decorated by Au nanoparticles(NPs)(denoted as HP-Au@CoxSy@ZIF-67)hybrid is synthesized by low-temperature sulfuration *** well-defined macroporous-mesoporous-microporous structure is obtained based on the combination of polystyrene spheres,as-formed CoxSy nanosheets,and ZIF-67 *** novel three-dimensional hierarchical structure significantly enlarges the three-phase interfaces,accelerating the mass transfer and exposing the active centers for oxygen evolution *** electronic structure of Co is modulated by Au through charge transfer,and a series of experiments,together with theoretical analysis,is performed to ascertain the electronic modulation of Co by ***,HP-Au@CoxSy@ZIF-67 catalysts with different amounts of Au were synthesized,wherein Au and NaBH4 reductant result in an interesting“competition effect”to regulate the relative ratio of Co^(2+)/Co^(3+),and moderate Au assists the electrochemical performance to reach the highest ***,the optimized HP-Au@CoxSy@ZIF-67 exhibits a low overpotential of 340 mV at 10 mA cm^(-2)and a Tafel slope of 42 mV dec-1 for OER in 0.1 M aqueous KOH,enabling efficient water splitting and Zn-air battery *** work here highlights the pivotal roles of both microstructural and electronic modulation in enhancing electrocatalytic activity and presents a feasible strategy for designing and optimizing advanced electrocatalysts.

关键词： Au nanoparticles cobalt sulfide electronic modulation hierarchical porous structure oxygen evolution reaction

Regulation and application of supramolecular gel with circularly polarized luminescence

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

science China Chemistry 2024年第6期67卷 1865-1880页

作者： Shen Song Yulong shi Liangliang Zhu Bingbing Yue School of Materials and Chemistry&Institute of Bismuth and Rhenium University of Shanghai for Science and TechnologyShanghai200093China State Key Laboratory of Molecular engineering of Polymers Fudan UniversityShanghai200438China

Supermolecular gel is a three-dimensional network structure assembled by small molecules or polymers in solvents through noncovalent *** emergence of system complexity occurs spontaneously during the molecular self-assembly process.A multitude of chiral molecular self-assembly systems have been engineered,facilitating the achievement of circularly polarized luminescence(CPL)through the amalgamation of chiral entities with *** bonding,π-πstacking,and noncovalent forces,such as host-guest interactions and Van der Waals'forces,confer upon supramolecular gels the capacity to react to diverse *** to the flexibility of supramolecular assembly,the CPL properties of supramolecular gels have rich controllability and can be used in various *** this review,we summarized the examples of CPL-active supramolecular gel assembly,and further summarized the assembly environment factors and external ***,the versatility of CPL applications in supramolecular gels is demonstrated,ranging from optical devices,information encryption,biosensing and chemical sensing,and other practical *** conclusion,the study provides insights into the multicultural factors influencing CPL in supramolecular gels,describes their applications in various domains,and presents future perspectives in the field.

关键词： supramolecular gels circularly polarized luminescence self-assembly chirality stimuli-response

Experimental investigation on the origin of carbonaceous materials in the fault zone of the Wenchuan earthquake

在线全文

学校读者我要写书评

暂无评论

Earthquake science 2024年第3期37卷 189-199页

作者： Deyang shi Yaowei Liu Jin shi Institute of Geophysics China Earthquake AdministrationBeijing 10081China National Institute of Natural Hazards Ministry of Emergency Management of People's Republic of ChinaBeijing 10085China College of Metallurgy and Energy engineering Kunming University of Science and TechnologyKunming 650093China

Carbonaceous materials in seismic fault zones may considerably influence seismic fault slip;however,the formation mechanism of carbonaceous materials remains *** this study,we proposed a novel hypothesis for the formation of carbonaceous materials in fault ***,we conducted a CO_(2) hydrogenation experiment in a high-temperature reactor at a co-seismic temperature,with fault gouge formed during the Wenchuan earthquake as the *** experimental results demonstrate that carbonaceous materials in fault zones are formed on the fault gouge during the chemical reaction process,suggesting that the carbonaceous materials are possibly generated from the catalytic hydrogenation of CO_(2),followed by thermal cracking of its *** results of this study provide a theoretical basis for understanding fault behavior and earthquake physics.

关键词： carbon dioxide hydrogenation carbonaceous mineral formation co-seismic temperature fault weakening fault gouge

Donor-acceptor covalent organic frameworks-confined ultrafine bimetallic Pt-based nanoclusters for enhanced photocatalytic H_(2)generation

在线全文

学校读者我要写书评

暂无评论

Nano Research 2024年第7期17卷 5835-5844页

作者： Yu Liu Yawen shi Hua Wang Shengbo Zhang Collaborative Innovation Center of chemical science and engineering(Tianjin) Key Laboratory for Green Chemical Technology of the Ministry of EducationSchool of Chemical Engineering and TechnologyTianjin UniversityTianjin 300350China School of Environmental science and engineering Tianjin Key Laboratory of Biomass/Wastes UtilizationTianjin UniversityTianjin 300350China

Photocatalytic hydrogen generation from hydrogen storage media is an effective and promising approach for the green hydrogen industry as well as for achieving carbon neutrality ***,the lower photocatalytic efficiency due to the limited light trapping capacity,low electron transfer rate,and severe aggregation of nanoparticles caused by high surface energy seriously restricts their practical ***,we constructed a series of donor–acceptor(D–A)type covalent organic frameworks to confine ultrafine bimetallic Pt-based nanoclusters for photocatalytic hydrogen generation from ammonia borane(AB)*** visible light irradiation at 20℃,PtCo_(2)@covalent organic framework(COF)showed the highest photocatalytic activity with a turnover frequency(TOF)of 486 min−*** and density functional theory(DFT)calculations reveal that the high catalytic activity is mainly attributed to the strong electronic interactions between D–A type COF and ultrafine PtCo_(2)***,the D–A type COF can significantly enhance the light-trapping ability by fine-tuning the electron-acceptor type in the framework,and accelerate the photogenerated electron transfer from D–A type COF to PtCo_(2)nanocluster,which promotes the adsorption and activation of H_(2)O and AB molecules and accelerates hydrogen ***,PtCo_(2)@COF also exhibited ultra-high durability due to the significantly enhanced resistance to nanocluster aggregation caused by the nanopore confinement effect of D–A type *** believe that this work will provide a theoretical guide for the rational design of efficient D–A COFbased catalysts for photocatalysis.

关键词： light trapping electron transfer donor-acceptor covalent organic frameworks(D-A COFs) bimetallic nanoclusters photocatalysis