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Numerical simulation on characteristics of hydrodynamics, interphase and wall to bed heat transfer in a pseudo 2D spouted bed using supercritical CO_(2) as fluidizing agent

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Particuology 2025年第1期96卷 106-125页

作者： Kun Jiang Hui Jin State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an710049China

By employing the Eulerian-Eulerian Two Fluid Model, the effect of different particle size, supercritical CO_(2) (scCO_(2)) velocity at slit jet (U_(jet)) and initial bed height on the macroscopic characteristics (i.e., fountain morphology, profiles of particle velocity, momentum transfer characteristics among particles, transient temperature evolutions of particles, interphase heat transfer coefficient and wall to bed heat transfer characteristics) in the pseudo 2D rectangular spouted bed using scCO_(2) as fluidizing agent is numerically studied in detail herein. Considering there are currently no relevant visualized experiments reported using scCO_(2) as a fluidized agent due to the extreme operating pressure of CO_(2) (25 MPa in this paper) under supercritical conditions, present numerical model was validated with experimental data by using air as the fluidizing agent, confirming simulated instantaneous volume fraction distribution of air and transient temperature evolutions of particles basically consistent with the experiments. Numerical results reveal some of the internal relations among hydrodynamics characteristics in bed, momentum transfer characteristics among particles and relevant heat transfer behaviours. Results show larger Ujet and smaller particle size will accelerate the particles' translational motion in spout, spout core and fountain core zone. Larger particle concentration will promote inter-particle collisions while suppress the kinetic motion of particles in above zones. Decrease the particle size will enhance interphase convective heat transfer coefficient, while increasing U_(jet) results insignificant impacts. Finally, we also observe the transition zone between annular and periphery zone has a certain enhancing effect on the wall to bed heat transfer coefficient.

关键词： Spouted bed Two fluid model Kinetic theory of granular flow Supercritical CO_(2) Hydrodynamics Heat transfer

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Specific Heat Capacity and Coordination Number of Nano-Confined Transcritical Water

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Journal of Thermal Science 2025年第2期34卷 498-509页

作者： ZHANG Bowei JIANG Kun ZHANG Jie JIN Hui State Key Laboratory of Multiphase Flow in Power Engineering(SKLMF) Xi’an Jiaotong UniversityXi’an710049China

In the field of nano energy,investigating the specific heat capacity and coordination number of nano-confined water is highly significant for gaining a better understanding of the energy and microstructure of confined *** this work,we employed the method of molecular dynamics(MD)simulation to calculate the specific heat capacity at constant volume and coordination number of water molecules confined in carbon nanotubes(CNTs)under different conditions(T=600-700 K,P=21.776 and 25 MPa,CNT diameter=0.949-5.017nm).The results showed that near the critical point,the specific heat capacity at constant volume of confined water was lower than that of bulk water,and the energy fluctuation showed a trend of first increasing and then remaining unchanged with the increase of temperature and CNT *** them,the saturation point of temperature is 650 K(reduced pressure P_(r)=1)and 660 K(P_(r)=1.15),and the saturation point of CNT diameter is 2.034 ***,the pseudo-critical temperature of confined water was the same as bulk water,and it increased with the increase of critical ***,with the increase of CNT diameter,the coordination number of confined water increased rapidly,and reaches the saturation state when the CNT diameter is 2.034 *** investigation revealed the mass and energy characteristics of nano-confined water near the critical point,which could provide guidance for the critical phase transition of nano-confined water.

关键词： molecular dynamics nano-confined transcritical water specific heat capacity at constant volume coordination number

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Enhancing the performance of proton-exchange membrane fuel cell by optimizing the hydrophobicity and porosity of cathode catalyst layer

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Science China(Technological Sciences) 2025年第3期68卷 72-81页

作者： Yan ZHANG Puping JIA Suyi YANG Jinzhan SU Liejin GUO International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringSchool of Energy&Power EngineeringXi’an Jiaotong UniversityXi’an710049China

Appropriate hydrophobicity and porosity of the proton-exchange membrane fuel cell(PEMFC)cathode catalyst layer(CCL)are essential for efficient charge and mass *** this study,the effects of the CCL hydrophobicity and porosity on PEMFC performance were comprehensively *** to a normal CCL,a cathode hydrophobic duallayer catalyst structure(with a 2:1 Pt loading ratio between the inner and outer layers and 9.3%polytetrafluoroethylene(PTFE)in the outer layer)exhibited a 29.8%increase in power *** the tested pore-forming agents,ammonium bicarbonate(NH_4HCO_(3))was the most suitable because of its low pyrolysis *** maximum power density of the CCL with a porous structure(prepared with a Pt/C:NH_4HCO_(3)mass ratio of 1:3)was 38.3%higher than that of the normal *** simultaneously optimizing the pore structure and hydrophobicity of the CCL,the maximum power density of the cathode hydrophobic dual-layer CCL(DCL)with pores showed a 44.7%increase compared to that of the normal *** study demonstrates for the first time that simultaneously optimizing cathode porosity and hydrophobicity can enhance PEMFC performance.

关键词： proton-exchange membrane fuel cell cathode catalyst layer membrane electrode assemblies polytetrafluoroethylene pore-forming agent

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Co-production of hydrogen, oxygen, and electricity via an integrated solar-driven system with decoupled water electrolyzer and Na-Zn ion battery

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Journal of Energy Chemistry 2025年第1期100卷 621-627页

作者： Fei Lv Longjie Liu Jiazhe Wu Pengfei Wang Lixia Pan Dengwei Jing Yubin Chen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049ShaanxiChina

Combining water electrolysis and rechargeable battery technologies into a single system holds great promise for the co-production of hydrogen (H_(2)) and ***,the design and development of such systems is still in its ***,an integrated hydrogen-oxygen (O_(2))-electricity co-production system featuring a bipolar membrane-assisted decoupled electrolyzer and a Na-Zn ion battery was established with sodium nickelhexacyanoferrate (NaNiHCF) and Zn^(2+)/Zn as dual redox *** decoupled electrolyzer enables to produce H_(2)and O_(2)in different time and space with almost 100%Faradaic efficiency at 100 mA cm^(-2).Then,the charged NaNiHCF and Zn electrodes after the electrolysis processes formed a Na-Zn ion battery,which can generate electricity with an average cell voltage of 1.75 V at 10 m A cm^(-2).By connecting Si photovoltaics with the modular electrochemical device,a well-matched solar driven system was built to convert the intermittent solar energy into hydrogen and electric energy with a solar to hydrogen-electricity efficiency of 16.7%,demonstrating the flexible storage and conversion of renewables.

关键词： Hydrogen Electricity Decoupled water electrolyzer Na-Zn ion battery Solar energy

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On the Oxidation Mechanism of n-Dodecane under Pure Oxygen Conditions from Low to High Temperatures

On the Oxidation Mechanism of n-Dodecane under Pure Oxygen C...

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AIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2025

作者： Hong, Congjie Zou, Jiabiao Subburaj, Janardhanraj Farooq, Aamir Zhang, Yingjia Thuwal23955 Saudi Arabia State Key Laboratory of Multiphase Flows in Power Engineering Xi’an Jiaotong University Xi’an710049 China

ISBN: (纸本)9781624107238

This study investigates the combustion characteristics of n-dodecane under pure oxygen conditions, a critical scenario for rocket propulsion systems. Advanced laser absorption diagnostics were employed to measure the oxidation of key species, including n-dodecane, CO, and H2O, across a wide range of temperatures. The experimental data were used to refine chemical kinetic models by optimizing the rate coefficients of key reactions. The optimized models demonstrated improved predictive accuracy for ignition delay times and species concentration profiles, providing deeper insights into the combustion process. These findings enhance the understanding of n-dodecane combustion and contribute to the development of efficient and environmentally sustainable rocket propulsion technologies. Additionally, the study advances modeling methodologies, offering direct implications for the design of more robust and sustainable rocket engines. © 2025, American Institute of Aeronautics and Astronautics Inc, AIAA. All rights reserved.

关键词： Rockets

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Photothermally enhanced electrocatalytic water splitting with iron-doped nickel phosphide

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Journal of Energy Chemistry 2025年第3期102卷 243-252页

作者： Rui Zhao Chunyang Zhang Liting Wei Yan Zhang Daixing Wei Jinzhan Su Liejin Guo International Research Center for Renewable Energy(IRCRE) State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityXi'an 710049ShaanxiChina

Although electrocatalytic water splitting holds significant promise for hydrogen production,unfavorable reaction energy barriers and kinetic properties lead to unsatisfactory conversion ***,we provide an innovative strategy to optimize the electrochemical activity of the Fe/Ni_(2)P catalyst through near-infrared(NIR)-induced photothermal *** Fe/Ni_(2)P-NIR yields a current density of 10 mA cm^(-2)at ultralow overpotentials of 16 mV for the hydrogen evolution reaction(HER)and 167 mV for the oxygen evolution reaction(OER),with Tafel slopes of 38.7 and 46.2 mV dec^(-1),*** bifunctional catalyst also delivers 10 mA cm^(-2)at a low voltage of 1.40 V for overall water *** NIR photoinduced local thermal effect activates abundant catalytic sites,accelerates charge and mass transfer,and improves intrinsic reaction *** by density functional theory(DFT)calculations,the photothermal effect reduces the energy barriers of the rate-determining steps(RDS)for^(*)H desorption on Fe/Ni_(2)P during HER and^(*)O formation on its reconstructed active phase NiFeOOH during *** realized photothermal-electrochemical integration with Fe/Ni_(2)P-NIR in an anion exchange membrane(AEM)electrolyzer,attaining 500 mA cm^(-2)at 1.76 V,with excellent stability over 50 *** strategy may significantly advance energy conversion technology towards economic hydrogen production through water electrolysis.

关键词： Photothermal effect Electrocatalytic overall water splitting Fe-doped Ni_(2)P Integrated energy conversion system Alkaline AEM electrolyzer

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Defect-engineered WOx/ZnIn2S4 Z-scheme heterojunction boosting photocatalytic H2 production via photothermal coupling

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Journal of Energy Chemistry 2025年第4期103卷 9-18页

作者： Biao Wang Chunyang Zhang Shidong Zhao Shujian Wang Feng Liu Kejian Lu Yitao Si Maochang Liu International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'an Jiaotong University School of Chemistry and Chemical Engineering Southeast University Suzhou Academy of Xi'an Jiaotong University

Recent interest in photocatalytic water splitting has intensified the demand in the development of photocatalysts capable of harnessing the full *** study introduces a novel WOx/ZnIn2S4Zscheme heterojunction,prepared by depositing ZnIn2S4（ZIS） nanosheets onto WOxnanorods,enabling efficient photothermal-coupled photocatalytic *** success relies on the engineered oxygen vacancies within WOxnanorods,which not only confer excellent photothermal properties lowering the reaction barrier but also create defect levels in WOxfacilitating Z-scheme electron transfer from these levels to the valence band of ***,the optimized WOx/ZIS heterojunction exhibits a remarkable H2evolution rate of 33.91 mmol h-1g-1with an apparent quantum efficiency of 23.6% at 400 *** study provides a new strategy for developing efficient Z-scheme heterojunctions with broadspectrum solar hydrogen production capabilities.

关键词： Defect-engineered Photocatalytic H2 evolution Photothermal coupling Z-scheme heterojunction

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MOF-derived NiCo bimetallic cocatalyst for enhanced photocatalytic overall water splitting

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Chinese Chemical Letters 2025年第3期36卷 427-431页

作者： Liang Dong Jingkuo Qu Tuo Zhang Guanghui Zhu Ningning Ma Chang Zhao Yi Yuan Xiangjiu Guan Liejin Guo International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049C

The development of stable and efficient non-noble metal cocatalysts has arisen as a promising yet challenging endeavor in the context of photocatalytic overall water *** this study,NiCo alloy cocatalysts were synthesized with nickel/cobalt metal organic framework(NiCo-MOF)as source of nickel and *** characterization results demonstrate the successful deposition of alloy cocatalysts onto the surface of SrTiO_(3).The prepared SrTiO_(3)loaded NiCo-alloy can generate hydrogen and oxygen in a stoichiometric ratio for photocatalytic overall water splitting,achieving an apparent quantum yield of 11.9%at 350±10 *** calculations indicate that the introduction of cobalt has a beneficial regulatory effect on the hydrogen evolution sites of Ni,reducing the free energy of H *** synergistic catalytic effect of bimetallic catalysts contributes to enhancing photocatalytic activity and *** study offers constructive insights for the development of high-efficiency and cost-effective cocatalyst systems.

关键词： Photocatalysis Overall water splitting Non-noble metals Alloy Cocatalyst

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BiOI晶体缺陷工程提升光催化CO2到C2产物转化性能（英文）

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Science China Materials 2025年第5期68卷 1561-1569页

作者：黄富霞刘一菲王峰刘亚郭烈锦 International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong University

BiOI材料在光催化CO2还原领域展现出巨大潜力,但其较弱的CO2的活化能力与较差的载流子分离效率严重制约了光催化转化效率.本研究通过构建富含丰富晶体缺陷的BiOI基光催化剂有效地提高了其光催化性能.结合X射线衍射、拉曼、和高分辨透射... 详细信息

BiOI材料在光催化CO2还原领域展现出巨大潜力,但其较弱的CO2的活化能力与较差的载流子分离效率严重制约了光催化转化效率.本研究通过构建富含丰富晶体缺陷的BiOI基光催化剂有效地提高了其光催化性能.结合X射线衍射、拉曼、和高分辨透射电子显微镜表征,证实了BiOI-LD和BiOI-TC催化剂中分别存在晶格畸变和孪晶结构缺陷.紫外-可见光谱、微孔与化学吸附分析,以及光致发光光谱表征结果表明,晶体缺陷的引入显著增强了光催化剂的光吸收能力、CO2吸附能力、载流子传输效率及寿命.电子顺磁共振光谱进一步证实BiOI-TC中超氧自由基的生成量显著提升,表明晶体缺陷构筑有效增强了催化剂表面反应活性.因此, BiOI-TC催化剂实现了6.2μmol g-1h-1的CH3CH2OH生成速率,且选择性达到100%.通过原位FTIR研究识别了生成CH3CH2OH的关键中间体（*CO、*COCO、*CHO和*CH2）,并揭示BiOI-LD中C2H6的生成与*CH3中间体的形成密切相关.

关键词： photocatalysis CO2 reduction BiOI crystal defects CH3CH2OH C2H6

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Promoting effect of d-band center and in-situ precipitation strategy on sulfur evolution reaction

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Journal of Energy Chemistry 2025年第5期104卷 740-748页

作者： Jun Pu Yun Tan Jiasen Yin Zihan Shen Shoujie Liu Kai Zhang Lei Zhou Yagang Yao Key Laboratory of Functional Molecular Solids Ministry of Education Anhui Provincial Engineering Laboratory for New-Energy Vehicle Battery Energy-Storage Materials College of Chemistry and Materials Science Anhui Normal University National Laboratory of Solid State Microstructures College of Engineering and Applied Sciences Jiangsu Key Laboratory of Artificial Functional Materials Collaborative Innovation Center of Advanced Microstructures Nanjing University State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences School of Materials Science and Engineering Anhui University School of Energy and Power Engineering Jiangsu University Department of Electrical Engineering Eindhoven University of Technology

The slow conversion of polyphase in lithium-sulfur （Li-S） batteries not only intensifies the shuttle effect of lithium polysulfides （LiPSs）,but also causes the continuous accumulation of inactive sulfur species,resulting in rapid capacity attenuation and sluggish dynamic ***,the promoting effect of atomic interface stress on sulfur reaction was investigated via CoFe-CoFe2O4heterogeneous nanosheets with a cavity *** strain force induced by the in-situ precipitation of Co Fe bimetallic alloy in oxide matrix increased the d-band center,which was conducive to the interaction between catalyst and Li *** sulfur cathode based on this two-dimensional （2D） nanosheet design showed an extremely high capacity of 751 mAh g-1at 4 *** with a sulfur loading of 5.55 mg cm-2,its area capacity was still as high as 7.15 mAh ***,the enhanced stability greatly improved the practical potential of Li-S batteries.

关键词： 2D nanosheets D-band center In-situ precipitation Li-S batteries Strain effect

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