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A multiscale adaptive framework based on convolutional neural network: Application to fluid catalytic cracking product yield prediction

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Petroleum Science 2024年第4期21卷 2849-2869页

作者： Nan Liu Chun-Meng Zhu Meng-Xuan Zhang xing-ying Lan State Key Laboratory of Heavy Oil Processing China University of Petroleum (Beijing) College of Artificial Intelligence China University of Petroleum (Beijing)

Since chemical processes are highly non-linear and multiscale, it is vital to deeply mine the multiscale coupling relationships embedded in the massive process data for the prediction and anomaly tracing of crucial process parameters and production indicators. While the integrated method of adaptive signal decomposition combined with time series models could effectively predict process variables, it does have limitations in capturing the high-frequency detail of the operation state when applied to complex chemical processes. In light of this, a novel Multiscale Multi-radius Multi-step Convolutional Neural Network(Msrt Net) is proposed for mining spatiotemporal multiscale information. First, the industrial data from the Fluid Catalytic Cracking(FCC) process decomposition using Complete Ensemble Empirical Mode Decomposition with Adaptive Noise(CEEMDAN) extract the multi-energy scale information of the feature subset. Then, convolution kernels with varying stride and padding structures are established to decouple the long-period operation process information encapsulated within the multi-energy scale data. Finally, a reconciliation network is trained to reconstruct the multiscale prediction results and obtain the final output. Msrt Net is initially assessed for its capability to untangle the spatiotemporal multiscale relationships among variables in the Tennessee Eastman Process(TEP). Subsequently, the performance of Msrt Net is evaluated in predicting product yield for a 2.80 × 10～6 t/a FCC unit, taking diesel and gasoline yield as examples. In conclusion, Msrt Net can decouple and effectively extract spatiotemporal multiscale information from chemical process data and achieve a approximately reduction of 30% in prediction error compared to other time-series models. Furthermore, its robustness and transferability underscore its promising potential for broader applications.

关键词： Fluid catalytic cracking Product yield Data-driven modeling Multiscale prediction Data decomposition Convolution neural network

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Kinetic study and DFT calculation on the tetracycline abatement by peracetic acid

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Chinese Chemical Letters 2024年第9期35卷 346-350页

作者： Dan-ying xing Xiao-Dan Zhao Chuan-Shu He Bo Lai College of Chemical Engineering Huaqiao UniversityXiamen 361021China State Key Laboratory of Hydraulics and Mountain River Engineering College of Architecture and EnvironmentSichuan UniversityChengdu 610065China

Water contamination by tetracycline(TC)has emerged as an environmental concern owing to its widespread use and antibiotic *** of peracetic acid(PAA)in the water and wastewater treatment has recently been proposed and demonstrated to be effective for TC abatement,yet the underlying reaction kinetics between the PAA and TC are not yet *** explore the reaction kinetics,the effect of solution pH on TC abatement by PAA is studied and the species-specific rate constants are *** ability to donate and accept electrons for different species of TC and PAA is evaluated via density functional theory(DFT)*** pH-dependent apparent second-order rate constants of TC abatement by PAA exhibits the parabolic shape with the maximum at p H 8.5(9.75 L mol^(-1)s^(-1)).This phenomenon is closely related to the speciation of TC and PAA,in which the reaction between PAAH and TTC^(2-)possesses the highest species-specific rate constants according to the kinetic *** DFT calculations suggest that the HOMO of TTCH^(+),TTC,TTC^(-),TTC^(2-)and the LUMO of PAAH and PAA-are–6.40,–6.26,–5.10,–4.94 e V and–0.24,0.60 e V,*** to the DFT calculations,deprotonation of TC and PAA leads to an increase of the HOMO value of TC and the LUMO value of ***,the HOMOTC–LUMOPAAvalues is in good agreement with the trend of species-specific rate constants,which can be used to evaluate the reactivity between PAA and TC with different *** study provides the kinetic data and theoretical basis for the reaction of PAA and TC,which is critical for the application of PAA in the treatment of water and wastewater.

关键词： Peracetic acid Tetracycline Kinetics Rate constants DFT calculation

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Distribution of oxide inclusions in H13 castings under super-gravity field with multi-stage rotation speeds

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Journal of Iron and Steel Research International 2024年第1期31卷 121-133页

作者： Shao-ying Li Xiao-jun Xi xing-ming Zhao Han-jie Guo Jing Guo School of Metallurgical and Ecological Engineering University of Science and Technology Beijing(USTB)Beijing100083China Beijing Key Laboratory of Special Melting and Preparation of High-End Metal Materials Beijing100083China Beijing Beiye Functional Materials Corporation Beijing100192China Shandong Tianwu Forming Technology Co. Ltd.Liaocheng252024ShandongChina

The 42 kg industrial H13 castings were prepared by different super-gravity fields with multi-rotation speeds,and the distribution of oxide inclusions in the castings was *** addition,the inward movement Reynolds number and inward movement time of oxide inclusions as well as the solidification time of molten steel at different positions in the castings were calculated to clarify the removal mechanism of oxide inclusions in super-gravity *** results show that the large size(i.e.,greater than 10μm)oxide inclusions are mainly concentrated in the inner and outer parts of the super-gravity castings with constant rotation speed(500 r min^(-1))and five-stage rotation speeds(500,600,750,850,and 950 r min^(-1)),respectively,while there are no large oxide inclusions in the super-gravity castings with three-stage rotation speeds(500,600,and 750 r min^(-1)).Although an increase in the particle size of inclusion and the rotation speed in super-gravity field is conducive to the increase in the inward movement Reynolds number of oxide inclusions and reduction in the inward movement time of oxide inclusions,it will reduce the local solidification time of molten *** the range of the rotation speed studied,the super-gravity field with three-stage rotation speeds has the best effect on the removal of inclusions in H13 molten steel.

关键词： Distribution Oxide inclusion H13 casting Super-gravity field Rotation speed

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New approach to measuring topological phase transitions utilizing Floquet technology

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Chinese Physics B 2024年第9期33卷 282-288页

作者： Xue-ying Yang Wei Wu Ping-xing Chen College of Sciences National University of Defense TechnologyChangsha 410073China

The Floquet technique provides a novel anomalous topological phase for non-equilibrium phase *** on the high symmetry of the quantum anomalous Hall model,the findings suggest a one-to-one correspondence between the average spin texture and the Floquet quasi-energy spectrum.A new approach is proposed to directly measure the quasienergy spectrum,replacing previous measurements of the average spin ***,we proposed a reliable experimental scheme based on ion trap *** scheme markedly reduces the measurement workload,improves the measurement fidelity,and is applicable to multiple platforms such as cold atoms and nuclear magnetic resonance.

关键词： topological phase transition Floquet technique ion trap

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Assessing clogging potential and optimizing driving parameter of slurry shield tunneling in clay stratum assisted with CFD-DEM modeling

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Underground Space 2024年第1期14卷 197-218页

作者： Yi Yang xing-gao Li Han-yuan Li Yi-dong Guo ying-ran Fang Key Laboratory of Urban Underground Engineering of the Education Ministry Beijing Jiaotong UniversityBeijing 100044China School of Civil Engineering Beijing Jiaotong UniversityBeijing 100044China

This paper proposed a two-way coupled computational fluid dynamics(CFD)and discrete element method(DEM)approach to analyze the evolution of clogging in slurry shield tunneling *** interactions between clay particles and slurry were considered by exchanging three interaction forces,including buoyancy force,pressure gradient force,and drag *** CFD-DEM coupling approach was first benchmarked by comparing cutterhead torque and total thrust with field monitored data of a practical slurry shield tunnel *** evolution process of the particle phase and the fluid phase over time was *** results indicated that fewer than 70%of the particles can be washed away in time by the circulating *** 9%of the particles adhered to the submerged wall,resulting in increased cutterhead torque and *** parametric analysis,the influence of the shield driving parameters on the clay clogging behavior is further *** time history of cutterhead torque or thrust can be used as a criterion for judging whether clogging has ***,a new assessment method of clogging risk and an optimization strategy of driving parameters were proposed,which were intended to provide some guidance for similar projects.

关键词： Slurry shield Clogging Driving parameter optimization Assessment method CFD-DEM

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Nitrogen–sulfur co-doped porous carbon derived from asphalt as efficient catalyst for oxygen reduction

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Rare Metals 2024年第1期43卷 380-388页

作者： Jing-Sheng Ma Ming-Zai Wu Ling Chen Li-xing Zhang ying Xiong Key Laboratory of Structure and Functional Regulation of Hybrid Materials Ministry of EducationInstitute of EnergyHefei Comprehensive National Science CenterAnhui UniversityHefei 230601China

As an environment-friendly and low-cost petrochemical by-product, asphalt has great potential in the preparation of metal-free oxygen reduction electrocatalysts with excellent performance and outstanding stability. In this paper, we converted asphalt into porous carbon nanosheets by a simple activation method, using potassium citrate as the swelling agent.

关键词： stability porous catalyst

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Recent progress in hair follicle stem cell markers and their regulatory roles

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World Journal of Stem Cells 2024年第2期16卷 126-136页

作者： Yi-Zhan xing Hai-ying Guo Fei Xiang Yu-Hong Li Department of Cell Biology Army Medical UniversityChongqing 400038China Institute of Burn Research Southwest HospitalArmy Medical UniversityChongqing 400038China

Hair follicle stem cells(HFSCs)in the bulge are a multipotent adult stem cell *** can periodically give rise to new HFs and even regenerate the epidermis and sebaceous glands during wound *** increasing number of biomarkers have been used to isolate,label,and trace HFSCs in recent *** more detailed data from single-cell transcriptomics technology,we mainly focus on the important HFSC molecular markers and their regulatory roles in this review.

关键词： Hair follicle stem cells Bulge Secondary hair germ Marker Single-cell RNA-sequencing

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Construction of Naphthalenediimide Lanthanide(Ⅲ)-MOFs and Composites Incorporated Electron-Rich Pyrene Derivative as Multifunctional Fluorescence Sensing for Nitro Aromatic Compounds and Aldehydes

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Chinese Journal of Chemistry 2024年第3期42卷 283-293页

作者： Rong Huo Ting Zhang Guang Zeng Chen Wang Yong Heng xing Feng ying Bai College of Chemistry and Chemical Engineering Liaoning Normal UniversityDalianLiaoning116029 China State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalianLiaoning116023 China

The development of host-guest MOF luminescent composites has attracted considerable attention. However,it is still a challenge to reasonably design large scale conjugated polycarboxylic acids metal-organic framework (MOF) and modulate donor-acceptor interaction. Herein,a series of isostructural 3D porous lanthanide MOF [Ln_(2)(BINDI)0.5(NO_(3))(DMA)(H_(2)O)]∙DMA∙2.5H_(2)O (Ln = La (1),Ce (2),Pr (3) and Nd (4);H_(4)BINDI (N,N’-bis(5-isophthalic acid)-1,4,5,8-naphthalenediimide) were synthesized. Considering the electron-deficient performances of Ln-BINDI MOFs,D-A type composites Ln-MOFs (1—4@H_(4)TBAPy) were prepared via the incorporation of electron-rich H_(4)TBAPy (1,3,6,8-tetrakis(p-benzoic acid) pyrene),which more improved the luminescence performance of complexes 1—4 and can be used as fluorescence sensors for the detection of nitro compounds and aldehydes. High sensitivity of 1@H_(4)TBAPy towards pNBA,pNA PNP,DNP,and TNP could be achieved through hydrogen bond interactions between MOF and analytes,as well as the π-π interaction between H_(4)TBAPy and the naphthalene ring of BINDI,thus the fluorescence quenching efficiency of 1@H_(4)TBAPy was better than that of the complex 1. In addition,it is found that 1@H_(4)TBAPy has high selectivity and sensitivity to aromatic aldehyde SA,5-Mesal and HMBA. Such strategy to enhance the emission of NDI based Ln-BINDI MOFs,will open up an avenue to obtain more fluorescent MOFs for sensing.

关键词： Ln-MOF Pyrene molecule NACs Aldehydes Fluorescence sensing Carboxylate ligands Charge transfer Donor-acceptor systems

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Research on the Dynamic Compressibility of Polyurethane Microcellular Elastomer and its Application for Impact Resistance

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Chinese Journal of Polymer Science 2024年第8期42卷 1185-1197页

作者： Zhi-ying Zhao Hao Jiang Xiao-Dong Li Xu-Dong Zhang xing Su Mei-Shuai Zou School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China

The packaging materials with cushioning performance are used to prevent the internal contents from being damaged by the impact and vibration of external *** polyurethane microcellular elastomers(PUMEs)can absorb energy through cell collapse and molecular chain *** this study,PUMEs with different densities were investigated by scanning electron microscopy,dynamic mechanical analysis and dynamic compression *** exhibited significant im pact resistance and the maximum peak stress attenuation ratio reached 73.33%.The protective equipment was made by PUME with the optimal density of 600 kg/m^(3),and then the acceleration sensing device installed with the same protective equipment fell from a height of 3,5 and 10 m to evaluate the energy-absorbing property and reusability of *** results showed that PUMEs equipment reduced the peak acceleration of the device by 93.84%,with a maximum deviation of 9%between actual test and simulation,and shortened the impact time of first landing by 57.39%.In addition,the equipment PUMEs equipment could effectively reduce the stress on the protected items.

关键词： Polyurethane microcellular elastomer Impact velocity Stress attenuation ratio Impact resistance

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Efficient and rapid capture of uranium(Ⅵ) in wastewater via multiamine modified β-cyclodextrin porous polymer

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Chinese Journal of Chemical Engineering 2024年第4期68卷 144-155页

作者： xing Zhong Yubin Tan Siyuan Wu Caixia Hu Kai Guo Yongchuan Wu Neng Yu Mingyang Ma ying Dai School of Chemistry and Materials Science East China University of TechnologyNanchang 330013China

It is quite important to ensure the safety and sustainable development of nuclear energy for the treatment of radioactive wastewater. To treat radioactive wastewater efficiently and rapidly, two multi-amine β-cyclodextrin polymers(diethylenetriamine β-cyclodextrin polymer(DETA-TFCDP) and triethylenetetramine β-cyclodextrin polymer(TETA-TFCDP)) were prepared and applied to capture uranium. Results exhibited that DETA-TFCDP and TETA-TFCDP displayed the advantages of high adsorption amounts(612.2and 628.2 mg·g-1, respectively) and rapid adsorption rates, which can reach(88 ± 1)% of their equilibrium adsorption amounts in 10 min. Moreover, the adsorbent processes of DETA-TFCDP and TETATFCDP on uranium(Ⅵ) followed the Langmuir model and pseudo-second-order model, stating they were mainly chemisorption and self-endothermic. Besides, TETA-TFCDP also showed excellent selectivity in the presence of seven competing cations and could be effectively reused five times via Na2CO3as the desorption reagent. Meanwhile, X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy illustrated that the enriched multi-amine groups and oxygen-containing functional groups on the surface of TETA-TFCDP were the main active sites for capturing uranium(Ⅵ). Hence, multi-amine β-cyclodextrin polymers are a highly efficient, rapid, and promising adsorbent for capturing uranium(Ⅵ)from radioactive wastewater.

关键词： Adsorption Waste water Pollution Uranium(VI) b-Cyclodextrin

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