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Three-dimensional CFD simulation of alkaline electrolyzers: flow pattern and electric field

Chemical engineering Journal 2025年 515卷

作者： Bai, Jinhao Guan, Xiaoping Yang, Ning State Key Laboratory of Mesoscience and Engineering Institute of Process Engineering Chinese Academy of Sciences P. O. Box 353 Beijing100190 China School of Chemical Engineering University of Chinese Academy of Sciences Beijing100049 China

Electrolysis for hydrogen production is a key driver for the future of green energy. The pressure-filtered alkaline electrolyzer is widely used in industrial hydrogen production. A 3D Euler-Euler CFD model, coupled with electric field and electro-chemical model, was established to simulate the two-phase flow and the performance of a pilot-scale mastoid plate electrolyzer. The fully-coupled model predicts higher overall gas holdup than the model without considering multi-physics. This discrepancy arises from the non-uniform distribution of current density and gas production rate. Moreover, the gas distribution pattern within the electrolyzer changes from a layered distribution to a tree-like distribution due to the increase in liquid flowrate, which, to our knowledge, has not been reported previously. Additionally, the effects of operating voltage and liquid flowrate on the components of overpotential were analyzed. The findings are beneficial for process intensification and optimization for industrial electrolyzers. © 2025 Elsevier B.V.

关键词： Hydrogen production

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Robust Fault-Tolerant Funnel Control of Unknown MIMO Nonlinear Systems With Actuator and Sensor Faults

Robust Fault-Tolerant Funnel Control of Unknown MIMO Nonline...

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Chinese Control and Decision Conference, CCDC

作者： Wei Ding Jin-Xi Zhang Faculty of Electrical Engineering and Automation Changshu Institute of Technology Changshu China State Key Laboratory of Synthetical Automation for Process Industries Northeastern University Shenyang China

ISBN: (数字)9798350387780

ISBN: (纸本)9798350387797

This paper investigates the tracking control problem for the multi-input multi-output nonlinear systems with sensor faults, actuator faults and external disturbances. A fault-tolerant decoupling funnel control scheme is designed. The controller is composed of a group of barrier functions, without knowledge of the system nonlinearities, faults or disturbances, except for the know control direction. It is robust and passive in the sense that no function approximation, disturbance estimation, fault diagnosis or control reconfiguration is deployed. It guarantees that the system outputs track the reference signals with the pre-specified transient and steady-state performance, even the actuator faults and sensor faults happen simultaneously. Finally, the simulation results on a two-link robotic manipulator illustrate the effectiveness of the proposed approach.

关键词： Actuators Fault tolerance Simulation Fault tolerant systems Robot sensing systems Manipulators Steady-state

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Dimeric natural product panepocyclinol A inhibits STAT3 via di-covalent modification

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Acta Pharmaceutica Sinica B 2025年第1期15卷 409-423页

作者： Li Li Yuezhou Wang Yiqiu Wang Xiaoyang Li Qihong Deng Fei Gao Wenhua Lian Yunzhan Li Fu Gui Yanling Wei Su-Jie Zhu Cai-Hong Yun Lei Zhang Zhiyu Hu Qingyan Xu Xiaobing Wu Lanfen Chen Dawang Zhou Jianming Zhang Fei Xia Xianming Deng State Key Laboratory of Cellular Stress Biology School of Life SciencesFaculty of Medicine and Life SciencesXiamen UniversityXiamen 361102China State-province Joint Engineering Laboratory of Targeted Drugs from Natural Products Xiamen UniversityXiamen 361102China Cancer Research Center of Xiamen University Xiamen 361102China School of Chemistry and Molecular Engineering NYU-ECNU Center for Computational Chemistry at NYU ShanghaiEast China Normal UniversityShanghai 200062China Department of Biochemistry and Biophysics Institute of Systems BiomedicineSchool of Basic Medical SciencesPeking University Health Science CenterBeijing 100191China Institute of Translational Medicine&Zhangjiang Institute for Advanced Study Shanghai Jiao Tong UniversityShanghai 201203China Department of Hematology the First Affiliated Hospital of Xiamen UniversityXiamen UniversityXiamen 361003China

Homo-or heterodimeric compounds that affect dimeric protein function through interaction between monomeric moieties and protein subunits can serve as valuable sources of potent and selective drug ***,we screened an in-house dimeric natural product collection,and panepocyclinol A(PecA)emerged as a selective and potent STAT3 inhibitor with profound anti-tumor *** cross-linking C712/C718 residues in separate STAT3 monomers with two distinct Michael receptors,PecA inhibits STAT3 DNA binding affinity and transcription *** dynamics simulation reveals the key conformation changes of STAT3 dimers upon the di-covalent binding with PecA that abolishes its DNA ***,PecA exhibits high efficacy against anaplastic large T cell lymphoma in vitro and in vivo,especially those with constitutively activated STAT3 or STAT3^(Y640F).In summary,our study describes a distinct and effective di-covalent modification for the dimeric compound PecA to disrupt STAT3 function.

关键词： Signal transducer and activator of transcription 3 STAT3 inhibitor Anaplastic large T cell

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Defect and interface control on graphitic carbon nitrides/upconversion nanocrystals for enhanced solar hydrogen production

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National Science Open 2023年第2期2卷 76-88页

作者： Xiaochun Gao Nailiang Yang Jin Feng Jiayan Liao Shaoqi Hou Xiaoguang Ma Dawei Su Xingxing Yu Ziqing Yang Javad Safaei Dan Wang Guoxiu Wang Centre for Clean Energy Technology Faculty of ScienceUniversity of Technology SydneyBroadwayNSW 2007Australia School of Physics and Optoelectronic Engineering Ludong UniversityYantai 264000China State Key Laboratory of Biochemical Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China School of Chemistry and Chemical Engineering Qufu Normal UniversityQufu 273165China Institute for Biomedical Materials and Devices(IBMD) Faculty of ScienceUniversity of Technology SydneyUltimoNSW 2007Australia

The effective utilization of solar energy for hydrogen production requires an abundant supply of thermodynamically active photo-electrons;however,the photocatalysts are generally impeded by insufficient light absorption and fast photocarrier ***,we report a multiple-regulated strategy to capture photons and boost photocarrier dynamics by devel-oping a broadband photocatalyst composed of defect engineered g-C_(3)N_(4)(DCN)and upconversion NaYF4:Yb^(3+),Tm^(3+)(NYF)*** a precise defect engineering,the S dopants and C vacancies jointly render DCN with defect states to effectively extend the visible light absorption to 590 nm and boost photocarrier separation via a moderate electron-trapping ability,thus facilitating the subsequent re-absorption and utilization of upconverted photons/***,we found a promoted interfacial charge polarization between DCN and NYF has also been achieved mainly due to Y-N interaction,which further favors the upconverted excited energy transfer from NYF onto DCN as verified both theoretically and *** a 3D architecture,the NYF@DCN catalyst exhibits a superior solar H2 evolution rate among the reported upconversion-based system,which is 19.3 and 1.5 fold higher than bulk material and DCN,*** work provides an innovative strategy to boost solar utilization by using defect engineering and building up interaction between hetero-materials.

关键词： broadband precise defect engineering atomic interaction solar hydrogen production

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Effects of rough walls on sheared annular centrifugal Rayleigh-Bénard convection

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Physical Review Fluids 2025年第2期10卷 024604-024604页

作者： Fan Xu Jun Zhong Jinghong Su Bidan Zhao Yurong He Chao Sun Junwu Wang School of Energy Science and Engineering Harbin Institute of Technology Harbin 150001 People's Republic of China State Key Laboratory of Mesoscience and Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing 100190 People's Republic of China New Cornerstone Science Laboratory Center for Combustion Energy Key Laboratory for Thermal Science and Power Engineering of Ministry of Education Department of Energy and Power Engineering Tsinghua University Beijing 100084 People's Republic of China College of Mechanical and Transportation Engineering China University of Petroleum Beijing 102249 People's Republic of China Department of Engineering Mechanics School of Aerospace Engineering Tsinghua University Beijing 100084 People's Republic of China

In this study, we investigate the coupling effects of roughness and wall shear in an annular centrifugal Rayleigh-Bénard convection system, where two cylinders rotate with different angular velocities. Two-dimensional direct numerical simulations are conducted within a Rayleigh number range of 106≤Ra≤108, and the nondimensional angular velocity difference (Ω), representing wall shear, varied from 0 to 1. The Prandtl number is fixed at Pr=4.3, the inverse Rossby number at Ro−1=20, and the radius ratio at η=0.5. The interaction between wall shear and roughness leads to distinct heat transfer behavior in different regimes. In the buoyancy-dominant regime, an increase in the nondimensional angular velocity difference (Ω) significantly enhances heat transfer. However, as Ω continues to rise, a sharp reduction in heat transfer is observed in the transitional regime. Beyond a critical value of Ω, the flow enters a shear-dominant regime, where heat transfer remains unchanged despite further increases in Ω. The underlying mechanisms behind these distinct heat transfer behaviors are then elucidated. The enhancement of heat transport in the buoyancy-dominant regime is attributed to the introduction of external shear by the rotating rough walls, which reinforces convection and secondary flows within the cavities. Additionally, these secondary flows improve the efficiency of transporting the trapped hot and cold fluids outside the cavities, further enhancing heat transfer. However, in the transitional regime, the number of convection rolls rapidly decreases with increasing shear, eventually reaching a point where sustaining them becomes challenging. Consequently, a sharp reduction in heat transfer occurs. In the shear-dominant regime, heat transfer is primarily governed by diffusion, leading to a constant heat transport rate.

关键词： Buoyancy

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Performance of Synergistic Solvent Extraction System of Bpmda and Dnnsa for Simultaneous Recovery of Nickel and Cobalt

SSRN

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SSRN 2023年

作者： Sharma, Bharat Prasad Li, Zheng Xiong, Jinping Wang, Tian-Zhang Liang, Yu-Feng Yang, Liangrong Beijing Key Laboratory of Electrochemical Process and Technology of Materials Beijing University of Chemical Technology Beijing100029 China State Key Laboratory of Biochemical Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China School of Chemistry and Chemical Engineering Shandong University Jinan250100 China School of Chemical Engineering University of Chinese Academy of Sciences Beijing101408 China CAS Key Laboratory of Green Process and Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China Key Laboratory of Green and High-end Utilization of Salt Lake Resources Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China

Simultaneous recovery of nickel and cobalt from other transition and base metals, especially trivalent Fe3+ and Al3+, is challenging. In this work, a new synergistic solvent extraction (SSX) system consisting of a novel pyridine analog, N,N-bis(pyridin-2-ylmethyl)dodecan-1-amine (BPMDA) and dinonylnaphthalene sulfonic acid (DNNSA) with tributyl phosphate (TBP) as phase modifier has been developed. The resulting SSX system has outstanding performance with high selectivity for the simultaneous recovery of nickel and cobalt. The selectivity of the system at optimum conditions has been found in the order of Co2+ (>97%) > Ni2+ (> 90 %) > Mn2+ ( Fe3+ ( Mg2+ ( Al3+ ( Ca2+ ( © 2023, The Authors. All rights reserved.

关键词： Pyridine

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Broadband achromatic metalens design based on artificial neural network

Broadband achromatic metalens design based on artificial neu...

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CLEO: QELS_Fundamental Science, QELS 2022

作者： Wang, Feilou Geng, Guangzhou Wang, Xueqian Li, Junjie Bai, Yang Li, Jianqiang Wen, Yongzheng Li, Bo Sun, Jingbo Zhou, Ji State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and Engineering Tsinghua University Beijing100084 China Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing100190 China Beijing Advanced Innovation Center for Materials Genome Engineering Institute for Advanced Materials and Technology University of Science and Technology Beijing Beijing100083 China CAS Key Laboratory of Green Process and Engineering National Engineering Laboratory for Hydrometallurgical Cleaner Production Technology Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China Tsinghua Shenzhen International Graduate School Shenzhen518055 China

We used the backpropagation neural network to design a high performance achromatic metalens at visible range. Experimental demonstration showed that the fabricated achromatic metalens can operate from 420 to 640 nm wi... 详细信息

ISBN: (纸本)9781557528209

关键词： Neural networks

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"Win-Win"Scenario of High Energy Density and Long Cycling Life in a Novel Na_(3.9)MnCr_(0.9)Zr_(0.1)(PO_(4))_(3)Cathode

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Energy & Environmental Materials 2024年第1期7卷 83-90页

作者： Yao Wang Yukun Liu Pingge He Junteng Jin Xudong Zhao Qiuyu Shen Jie Li Xuanhui Qu Yongchang Liu Lifang Jiao Beijing Advanced Innovation Center for Materials Genome Engineering State Key Laboratory for Advanced Metals and MaterialsInstitute for Advanced Materials and TechnologyUniversity of Science and Technology BeijingBeijing 10083China Department of Chemistry and Biochemistry University of California1156 High StreetSanta CruzCA 95064USA Tianjin Key Laboratory for Photoelectric Materials and Devices School of Materials Science and EngineeringTianjin University of TechnologyTianjin 300384China Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Nankai UniversityTianjin 300071China

The development of high-energy and long-lifespan NASICON-type cathode materials for sodium-ion batteries has always been a research hotspot but a daunting *** Na_(4)MnCr(PO_(4))_(3)has emerged as one of the most promising high-energy-density cathode materials owing to its three-electron reactions,it still suffers from serious structural distortion upon repetitive charge/discharge processes caused by the Jahn-Teller active Mn^(3+).Herein,the selective substitution of Cr by Zr in Na_(4)MnCr(PO_(4))_(3)was explored to enhance the structural stability,due to the pinning effect of Zr ions and the≈2.9-electron reactions,as-prepared Na_(3.9)MnCr_(0.9)Zr_(0.1)(PO_(4))_(3)/C delivers a high capacity retention of 85.94%over 500 cycles at 5 C and an ultrahigh capacity of 156.4 mAh g^(-1)at 0.1 C,enabling the stable energy output as high as 555.2 Wh kg^(-1).Moreover,during the whole charge/discharge process,a small volume change of only 6.7%was verified by in situ X-ray diffraction,and the reversible reactions of Cr^(3+)/Cr^(4+),Mn^(3+)/Mn^(4+),and Mn^(2+)/Mn^(3+)redox couples were identified via ex situ X-ray photoelectron spectroscopy *** intermittent titration technique tests and density functional theory calculations further demonstrated the fast reaction kinetics of the Na_(3.9)MnCr_(0.9)Zr_(0.1)(PO_(4))_(3)/C *** work offers new opportunities for designing high-energy and high-stability NASICON cathodes by ion doping.

关键词： high energy density mechanism investigation NASICON-type cathodes sodium-ion batteries structure modification

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Recent advances in chemical protein synthesis:method developments and biological applications

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Science China Chemistry 2024年第4期67卷 1060-1096页

作者： Suwei Dong Ji-Shen Zheng Yiming Li Huan Wang Gong Chen Yongxiang Chen Gemin Fang Jun Guo Chunmao He Honggang Hu Xuechen Li Yanmei Li Zigang Li Man Pan Shan Tang Changlin Tian Ping Wang Bian Wu Chuanliu Wu Junfeng Zhao Lei Liu State Key Laboratory of Natural and Biomimetic Drugs and School of Pharmaceutical SciencesPeking UniversityBeijing 100191China Division of Life Sciences and Medicine University of Science and Technology of ChinaHefei 230027China School of Food and Biological Engineering Engineering Research Center of Bio-processMinistry of EducationHefei University of TechnologyHefei 230009China School of Chemistry and Chemical Engineering Nanjing UniversityNanjing 210023China State Key Laboratory of Elemento-Organic Chemistry Nankai UniversityTianjin 300071China Department of Chemistry Tsinghua UniversityBeijing 100084China Institute of Health Sciences Anhui UniversityHefei 230601China College of Chemistry Central China Normal UniversityWuhan 430079China School of Chemistry and Chemical Engineering South China University of TechnologyGuangzhou 510640China School of Medicine or Institute of Translational Medicine Shanghai UniversityShanghai 200444China Department of Chemistry The University of Hong KongHong Kong 999077China Shenzhen Graduate School Peking UniversityShenzhen 518055China School of Chemistry and Chemical Engineering Shanghai Jiao Tong UniversityShanghai 200240China School of Life Sciences University of Science and Technology of ChinaHefei 230026China Department of Chemical Biology Shanghai Jiao Tong UniversityShanghai 200240China Institute of Microbiology Chinese Academy of SciencesBeijing 100101China Department of Chemistry Xiamen UniversityXiamen 361005China School of Pharmaceutical Science Guangzhou Medical UniversityGuangzhou 511436China

The central dogma of modern biology underscores the pivotal roles proteins play in diverse biological processes,the study of which necessitates advanced methods to produce proteins with precision and *** protein synthesis,a powerful approach utilizing chemical reactions for the de novo construction of structurally accurate proteins,has emerged as a transformative tool for studying proteins and generating protein derivatives/mimics inaccessible by natural biological machinery,including post-translationally modified proteins,proteins comprised of unnatural amino acids,as well as mirror-image *** review summarizes recent strides in synthetic method developments for chemical protein synthesis,including innovative techniques in solid-phase peptide synthesis,the challenges presented by difficult sequences in either synthesis or folding and the exploration of novel ligation reactions using both chemical and enzymatic ***,the review also delves into newly developed protocols for site-selective protein modifications and the generation of stapled or macrocyclized peptides/miniproteins,highlighting the power of chemical methods to make structurally diverse *** applications of synthetic proteins in investigating post-translational modifications(phosphorylation,lipidation,glycosylation,ubiquitination,etc.),mirror-image biological processes and drug development are further ***,these topics provide a comprehensive overview of the current landscape of chemical protein synthesis.

关键词： chemical protein synthesis solid-phase peptide synthesis ligation reactions post-translational modifications mirror-image proteins peptide drugs

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Quaternary Ammonium Cof-Based Proton Exchange Membranes for Enhanced Electrochemical Hydrogen Compression

SSRN

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SSRN 2025年

作者： Pang, Xiao Liu, Ziwen Xu, Shuting Lv, Kexin Shi, Benbing Dong, Xu Xing, Na Gao, Zhong Zhu, Shiyi Zhang, Leilang Yao, Zengguang Cheng, Lijuan Wang, Hui Xu, Kai Liu, Yawei Wu, Hong Jiang, Zhongyi Key Laboratory for Green Chemical Technology Ministry of Education School of Chemical Engineering and Technology Tianjin University Tianjin300072 China Ningbo Key Laboratory of Green Petrochemical Carbon Emission Reduction Technology and Equipment Zhejiang Institute Tianjin University Zhejiang Ningbo315201 China State Key Laboratory of Synthetic Biology Tianjin University Tianjin300072 China Beijing Key Laboratory of Ionic LiquidsClean Process CAS Key Laboratory of Green Process and Engineering Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China MOE Key Laboratory of Bioorganic NST Phosphorous Chemistry and Chemical Biology Department of Chemistry Tsinghua University Beijing100084 China

Proton exchange membranes (PEMs) with high proton conductivity, excellent mechanical strength, and minimal hydrogen crossover are crucial for the practical implementation of electrochemical hydrogen energy conversion devices, including electrochemical hydrogen compression (EHC). Herein, hydrazone-linked ionic covalent organic frameworks (iCOF) bearing quaternary ammonium (QA) groups were synthesized and introduced into the sulfonated poly (ether ether ketone) (SPEEK) matrix to fabricate hybrid PEMs. Among them, the orderly arrangement of QA and -NH- groups on iCOF not only rearranged the distribution of -SO3H groups in the SPEEK polymer matrix, increasing the continuity and connectivity of the proton conduction pathways but also formed acid-base pairs with -SO3H groups to facilitate proton dissociation. Additionally, the electrostatic and hydrogen bonding interactions formed between iCOF and SPEEK matrix optimized the microphase separation structure and enhanced the mechanical stability of membranes. As a result, the hybrid PEMs exhibited an enhanced proton conductivity of 469.0 mS cm-1 (80°C, 100% RH) with only 2 wt% iCOF content, high mechanical strength of 91.3 MPa, and superior EHC performance with a high outlet pressure of 3.31 MPa (30°C, 100% RH) and high-purity hydrogen (>99.9%) from a 40% hydrogen-nitrogen mixture. © 2025, The Authors. All rights reserved.

关键词： Hydrogen bonds

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