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Corrigendum to “Numerical simulation of an externally heated fixed bed reactor for coal pyrolysis based on porous media” [Chem. Eng. Res. Des. 211 (2024) 137–151]

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Chemical engineering Research and Design 2025年 218卷 454-454页

作者： Haoyue Li Yuanpei Luo Fei Dai Jun Sui Hongguang Jin Laboratory of Distributed Energy Systems and Renewable Energy Institute of Engineering Thermophysics Chinese Academy of Sciences Beijing 100190 China University of Chinese Academy of Sciences Beijing 100049 China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China

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Selective light-driven methane oxidation to ethanol

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NATURE COMMUNICATIONS 2024年第1期15卷 10451页

作者： Xue, Fei Zhang, Chunyang Cheng, Cheng Yan, Xueli Liu, Feng Liu, Xiaozhi Jiang, Biao Zhang, Qiuyue Sun, Lin Peng, Huiping Huang, Wei-Hsiang Pao, Chih-Wen Hu, Zhiwei Chen, Mingshu Su, Dong Liu, Maochang Huang, Xiaoqing Xu, Yong Chinese Acad Sci i lab Suzhou Inst Nanotech & Nanob SINANO Suzhou 215123 Peoples R China Xiamen Univ Coll Chem & Chem Engn State Key Lab Phys Chem Solid Surfaces Xiamen 361005 Peoples R China Xi An Jiao Tong Univ Int Res Ctr Renewable Energy State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China Xi An Jiao Tong Univ Sch Chem Engn & Technol Xian 710049 Peoples R China Chinese Acad Sci Inst Phys Beijing Natl Lab Condensed Matter Phys Beijing 100190 Peoples R China Natl Synchrotron Radiat Res Ctr 101 Hsin Ann Rd Hsinchu 30076 Taiwan Max Planck Inst Chem Phys Solids Nothnitzer Str 40 D-01187 Dresden Germany Innovat Lab Sci & Technol Energy Mat Fujian Prov I Xiamen 361005 Peoples R China

Methane (CH4) photocatalytic upgrading to value-added chemicals, especially C-2 products, is significant yet challenging due to sluggish energy/mass transfer and insufficient chemical driven-force in single photochemical process. Herein, we realize solar-driven CH4 oxidation to ethanol (C2H5OH) on crystalline carbon nitride (CCN) modified with Cu9S5 and Cu single atoms (Cu9S5/Cu-CCN). The integration of photothermal effect and photocatalysis overcomes CH4-to-C2H5OH conversion bottlenecks, with Cu9S5 as a hotspot to convert solar-energy to heat. In-situ characterizations demonstrate that Cu single atoms play as electron acceptor for O-2 reduction to OOH/ OH, while Cu9S5 acts as hole acceptor and site for CH4 adsorption, C - H activation, and C - C coupling. Theoretical calculations demonstrate that Cu9S5/Cu-CCN reduces C - C coupling energy barrier by stabilizing CH3 and CH2O. Impressively, C2H5OH productivity reaches 549.7 mu mol g(-1) h(-1), with selectivity of 94.8% and apparent quantum efficiency of 0.9% (420 nm). This work provides a sustainable avenue for CH4 conversion to value-added chemcials.

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Rational fabrication of flower-like VS2-decorated Ti3C2 MXene heterojunction nanocomposites for supercapacitance performances

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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND engineering ASPECTS 2021年 629卷 127381-127381页

作者： Wang, Haochen You, Ling Guan, Yu Wang, Haibing Ma, Xinxia Wang, Daolei Wu, Jiang Zhu, Yanyan Lin, Jia Liu, Jiahui Shanghai Univ Elect Power Coll Energy & Mech Engn 2103 Pingliang Rd Shanghai 200090 Peoples R China Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Sch Energy & Power Engn Xian 710049 Peoples R China Shanghai Univ Elect Power Coll Elect & Informat Engn Shanghai 200090 Peoples R China Shanghai Univ Elect Power Coll Maths & Phys Shanghai 200090 Peoples R China

In this work, Ti3C2, was obtained by selective etching of Al in Ti3AlC2 by hydrofluoric and VS2 was modified on two-dimensional Ti3C2 by solvothermal process to prepare VS2/Ti3C2 composites. In the three-electrode system, the prepared VS2/Ti3C2 composites were compared with VS2 and Ti3C2, respectively, and it was found that the electrochemical properties of VS2/Ti3C2 composites were better. The intercalated VS2 nanosheets expanded the distance between Ti3C2 sheets, leading to a wide ion-accessible surface region and fast ionic/electric transport, resulting in the improved the electrochemical performance of the Ti3C2/VS2 composites. Density functional theory (DFT) analysis shows that the prepared VS2/Ti3C2 composite material has high electrical conductivity. Under the current density of 1 A.g(-1), the specific capacity of VS2/Ti3C2 composite is 191.3 mAh.g(-1), which is much higher than that of VS2 and Ti3C2. The asymmetric supercapacitors were assembled with VS2/Ti3C2 composites as positive electrodes, and the electrochemical performance was tested when the power density was 1288 ***(-1) and the energy density was 24 ***(-1). The initial capacity retention is 82.2% after 5000 cycles of constant current charge and discharge at the current density of 2 A.g(-1). In short, VS2/Ti3C2 composites show excellent supercapacitor performance in terms of capacity, stability, energy density and power density. It shows that VS2/Ti3C2 is a promising electrode material for supercapacitors.

关键词： Vanadium disulfide Ti3C2 (MXene) Nanocomposite electrodes Asymmetric supercapacitor (ASC) DFT

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Recent progress on sorption/desorption-based atmospheric water harvesting powered by solar energy

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SOLAR ENERGY MATERIALS AND SOLAR CELLS 2021年 230卷 111233-111233页

作者： Chen, Zhihui Song, Shiyu Ma, Benchi Li, Yueqi Shao, Yu Shi, Jinwen Liu, Maochang Jin, Hui Jing, Dengwei Xi An Jiao Tong Univ Sch Energy & Power Engn Xian 710049 Shaanxi Peoples R China Xi An Jiao Tong Univ Int Res Ctr Renewable Energy State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China Xi An Jiao Tong Univ Sch Elect Engn Xian 710049 Shaanxi Peoples R China

With the advantages of high efficiency, clean and renewable energy, the technology of sorption/desorption-based atmospheric water harvesting powered by solar energy has gradually attracted the increasing attention of researchers. In this review paper, through analyzing and summarizing the principles, the performance indexes, the measurements of parameters, the material types, the morphology modification, and the system design and devices of this technology, it was found that the existing research mainly focused on adsorbents, while there are still some imperfections, such as limited application circumstances, instability, discontinuous working and long cycle. Accordingly, the direction of future research is expected to redesign adsorbent materials for higher adsorptiondesorption rate and wider range of applications, add heat accumulator and air-driving equipment to make system controllable and flexible, miniaturize devices for convenient utilization, and optimize systems to shorten the water collection cycle and to achieve rapid and continuous working. To follow the direction above, there are also some suggestions for adsorbents and system design.

关键词： Atmospheric water generator Sorbent Solar energy Heat accumulator Water harvesting device

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Integrating a multi-layer deformation model in FRAPTRAN for accident Tolerant fuel analysis

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ANNALS OF NUCLEAR ENERGY 2019年 133卷 441-454页

作者： He, Yanan Shirvan, Koroush Wu, Yingwei Su, Guanghui Xi An Jiao Tong Univ Dept Nucl Sci & Technol State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China MIT Dept Nucl Sci & Engn Cambridge MA 02139 USA

Fuel performance analysis capability is needed to assess proposed Accident Tolerant Fuel (ATF) designs. In this work, a deformation model was implemented in FRAPTRAN 2.0 to model a multi-layer ATF concept during both reactivity-initiated accident (RIA) and loss-of-coolant accident (LOCA). The modified FRAPTRAN (M-FRAPTRAN) performance was assessed against limited UO2-Zircaloy validation database and the performance was found to be comparable to FRAPTRAN 2.0 and experimental data. Finally, in order to demonstrate the added capabilities in M-FRAPTRAN, two-layer SiC clad design consisting of SiC/SiC ceramic matrix composite (CMC) and monolithic SiC (mSiC) was modeled. During RIA, the onset of pellet clad mechanical interaction can significantly raise the mSiC principal stresses. During LOCA, the SiC potential annealing behavior (recovery of swelling strain) has a significant influence on cladding stress distribution and outer region of mSiC cladding may undergo tensile stress, which can threaten the leak tightness of the cladding during LOCA. (C) 2019 Elsevier Ltd. All rights reserved.

关键词： Fuel performance ATF RIA LOCA SiC

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A subcooled boiling model developed for narrow rectangular channels based on the CFD method 18

A subcooled boiling model developed for narrow rectangular c...

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18th International Topical Meeting on Nuclear Reactor Thermal Hydraulics, NURETH 2019

作者： Li, Linfeng Wang, Mingjun Zhang, Dalin Tian, Wenxi Su, G.H. Qiu, Suizheng State Key Laboratory of Multiphase Flow in Power Engineering School of Nuclear Science and Technology Xi’an Jiaotong University Xi’an710049 China

The accurate prediction of subcooled boiling phenomena in narrow rectangular channels is of great importance for the plate type fuel reactor core safety analysis during some critical scenarios. Serious of experimental studies on subcooled boiling in narrow rectangular channels indicate that a bubble may slide on the heating surface after nucleation and then lift to the main flow, merging with not-yet-fully-grown bubble and disrupting local boundary layer. In this paper, the influence of sliding bubbles is taken into consideration in wall boiling model and implanted into the CFD code to simulate boiling in narrow rectangular channel. Bubble dynamics is used in calculating the relevant bubble diameters during ebulletin cycle. The feasibility of this proposed model is validated with existed experimental data by comparing wall superheat. This work could promote the development of CFD two-phase flow simulation capacity in the plate type fuel nuclear reactor. © 2019 American Nuclear Society. All rights reserved.

关键词： Computational fluid dynamics

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Decrypting the Controlled Product Selectivity over Ag-Cu Bimetallic Surface Alloys for Electrochemical CO2 Reduction

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ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2023年第19期62卷 e202217369-e202217369页

作者： Wei, Daixing Wang, Yiqing Dong, Chung-Li Zhang, Zhengqi Wang, Xinyu Huang, Yu-Cheng Shi, Yuchuan Zhao, Xiaoli Wang, Jialin Long, Ran Xiong, Yujie Dong, Fan Li, Mingtao Shen, Shaohua Xi An Jiao Tong Univ Int Res Ctr Renewable Energy State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China Tamkang Univ Dept Phys New Taipei City 25137 Taiwan Univ Sci & Technol China Frontiers Sci Ctr Planetary Explorat & Emerging Te Sch Chem & Mat Sci Hefei Natl Lab Phys Sci Microscale Hefei 230026 Peoples R China Univ Sci & Technol China Natl Synchrotron Radiat Lab Hefei 230026 Peoples R China Univ Elect Sci & Technol China Energy Catalysis Inst Fundamental & Frontier Sci Res Ctr Environm Chengdu 611731 Peoples R China

Electrochemical CO2 reduction reaction (ECO2RR) with controlled product selectivity is realized on Ag-Cu bimetallic surface alloys, with high selectivity towards C2 hydrocarbons/alcohols (approximate to 60 % faradaic efficiency, FE), C1 hydrocarbons/alcohols (approximate to 41 % FE) and CO (approximate to 74 % FE) achieved by tuning surface compositions and applied potentials. In situ spectral investigations and theoretical calculations reveal that surface-composition-dependent d-band center could tune *CO binding strengths, regulating the *CO subsequent reaction pathways and then the product selectivity. Further adjusting the applied potentials will alter the energy of participated electrons, which leads to controlled ECO2RR selectivity towards desired products. A predominant region map, with an indicator proposed to evaluate the thermodynamic predominance of the *CO subsequent reactions, is then provided as a reliable theoretical guidance for the controllable ECO2RR product selectivity over bimetallic alloys.

关键词： Alloys CO2 Reduction Controlled Product Selectivity Electrochemistry

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Evaluation of non-ideal piston stopping effects on the "adiabatic core" and ignition delay time simulation in rapid compression machines

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COMBUSTION AND FLAME 2020年 218卷 229-233页

作者： Wu, Yingtao Tang, Chenglong Yang, Meng Wang, Quan-de Huang, Zuohua Zhao, Peng Curran, Henry J. Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China Natl Univ Ireland Galway Sch Chem Ryan Inst MaREI Galway Ireland Oakland Univ Dept Mech Engn Rochester MI 48309 USA China Univ Min & Technol Low Carbon Energy Inst Jiangsu Prov Engn Lab High Efficient Energy Stora Xuzhou 221008 Jiangsu Peoples R China

Piston creep and rebound are two non-ideal piston stopping behaviors in the rapid compression machine. Compared to nominal piston stopping, piston rebound/creep will result in a smaller/bigger 'adiabatic' core zone volume in the reaction chamber and length/shorten the ignition delay time measurements. However, the 'adiabatic core' hypothesis can still be validated under these compressions and ensures the applicability of zero-dimensional method in the model simulation. (C) 2020 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

关键词： Pistons

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Low to intermediate temperature ignition delay times of nitromethane 12

Low to intermediate temperature ignition delay times of nitr...

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12th Asia-Pacific Conference on Combustion, ASPACC 2019

作者： Yang, Meng Tang, Chenglong Huang, Zuohua State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xianning West Road Xi'an Shaanxi710049 China

In this work, the auto-ignition experiments of nitromethane at the low to intermediate temperature, fuel concentration of 2%, pressure of 30 bar and different equivalence ratios have been investigated by using rapid compression machine. The pressure profiles of nitromethane ignition were observed. Results show that a distinct two-stage heat release process is found at ? = 0.5. And multi-stage heat release is also observed with temperature decreasing. Subsequently, the effect of equivalence ratio on the nitromethane ignition is performed. The results show that the dependence of nitromethane ignition on the equivalence ratio is weak. In addition, the experimental data are used to validate the recent developed mechanisms of nitromethane. Relative large deviations are observed between experiments and predictions. © Asia-Pacific Conference on Combustion, ASPACC *** right reserved.

关键词： Combustion

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Chemical looping based ammonia production--A promising pathway for production of the noncarbon fuel

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Science Bulletin 2022年第20期67卷 2124-2138,M0004页

作者： Qinghua Lai Tianyi Cai Shik Chi Edman Tsang Xia Chen Runping Ye Zhenghe Xu Morris D.Argyle Dong Ding Yongmei Chen Jianji Wang Armistead G.Russell Ye Wu Jian Liu Maohong Fan College of Engineering and Applied Science University of WyomingLaramie WY 82071USA School of Energy and Power Engineering Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power EngineeringUniversity of Shanghai for Science and TechnologyShanghai 200093China Wolfson Catalysis Department of ChemistryUniversity of OxfordOxford Ox13QRUK College of Chemistry and Chemical Engineering Ocean University of ChinaQingdao 266100China State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhen 518055China Department of Chemical and Materials Engineering University of AlbertaEdmonton Alberta T6G1H9Canada Department of Chemical Engineering Brigham Young UniversityProvo UT 84602USA Idaho National Laboratory Idaho Falls ID83415USA College of Chemistry Beijing University of Chemical TechnologyBejing 100029China School of Chemistry and Environmental Science Henan Normal UniversityXinxiang 453007China School of Civil and Environmental Engineering Georgia Institute of TechnologyAtlanta GA 30332USA MIIT Key Laboratory of Thermal Control of Electronic Equipment School of Power EngineeringNanjing University of Science&TechnologyNanjing 210094China DICP-Surrey Joint Centre for Future Materials Department of Chemical and Process Engineeringand Advanced Technology InstituteUniversity of SurreyGuilford Surrey GU27XH UK

Ammonia, primarily made with Haber-Bosch process developed in 1909 and winning two Nobel prizes, is a promising noncarbon fuel for preventing global warming of 1.5 °C above pre-industrial levels. However,the undesired characteristics of the process, including high carbon footprint, necessitate alternative ammonia synthesis methods, and among them is chemical looping ammonia production(CLAP) that uses nitrogen carrier materials and operates at atmospheric pressure with high product selectivity and energy efficiency. To date, neither a systematic review nor a perspective in nitrogen carriers and CLAP has been reported in the critical area. Thus, this work not only assesses the previous results of CLAP but also provides perspectives towards the future of CLAP. It classifies, characterizes, and holistically analyzes the fundamentally different CLAP pathways and discusses the ways of further improving the CLAP performance with the assistance of plasma technology and artificial intelligence(AI).

关键词： Ammonia synthesis Chemical looping Nitrogen carrier Renewable fuels Energy carrier

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