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Preferential Formation of Ethylene via Electrocatalytic CO_(2) Reduction on Mesoporous Cu_(2)O Nanoparticles:Synergistic Effects of Pore Structure Confinement and Surface Amine

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Chinese Journal of Chemistry 2024年第16期42卷 1846-1852页

作者： Haifeng Zhang Dun Li Zhifang Chen Yingying Wang Haoyu Sun Feng Liu Maochang Liu Yiqun Zheng Hongwen Huang School of Chemistry Chemical Engineering and MaterialsJining UniversityQufuShandong 273155China College of Materials Science and Engineering Hunan UniversityChangshaHunan 410082China Health Management Department Shandong Vocational College of Light IndustryZiboShandong 255300China International Research Center for Renewable Energy National Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiotong UniversityXi'anShaanxi 710049China

We present a facile synthetic strategy to create mesoporous Cu_(2)O nanocrystals with tunable pore structures and surface functional groups of amine derivatives for efficient and preferable electrochemical conversion of CO_(2) into *** structural characteristics of theseCu_(2)O nanocrystals can be manipulated using a set of amine derivatives,such as pyridine,4,4'-bipyridine,and hexamethylenetetramine,during the oxidative etching process of Cu nanocrystals by bubbling gaseous oxygen in N,N-dimethylformamide *** amine derivatives not only serve as surface functional groups but also significantly affect the resulting pore *** synergistic effect of pore structure confinement and surface amine functionalization leads to the superb Faradaic efficiency(FE)of 51.9% for C_(2)H_(4),respectively,together with the C_(2)H_(4) partial current density of -209.4 mA·cm^(-2) at -0.8 V *** hydrogen electrode(RHE).The relatively high selectivity towards C_(2)H_(4) was investigated using DFT simulations,where 4,4'-bipyridine functionalized Cu_(2)O seemed to favor the C_(2)H_(4) formation with the low free energy of the *** study provides a feasible strategy to manipulate the pore structure and surface functionalization of mesoporous Cu_(2)O nanocrystals by regulating the oxidative etching process,which sheds light on the rational preparation of high-performance CO_(2)RR electrocatalysts.

关键词： Amines Ethylene Cuprous oxide CO_(2)reduction Mesoporous materials

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Homojunction photocatalysts for water splitting

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Nano Research 2022年第12期15卷 10171-10184页

作者： Xiangjiu Guan Shichao Zong Shaohua Shen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an710049China Suzhou Academy of Xi’an Jiaotong University Suzhou215123China Key Laboratory of Subsurface Hydrology and Ecological Effects in Arid Region Ministry of EducationSchool of Water and EnvironmentChang’an UniversityXi’an710064China

Charge-carrier separation is regarded as one of the critical issues of photocatalytic water splitting and could be accelerated by constructing microscopic junctions in *** photocatalysts consisting of different forms of semiconductor with identical compositions could inherit the advantages of heterojunction-based photocatalysts in charge separation due to the built-in electric field,while omitting the potential drawbacks of interfacial lattice distortion by providing continuous band ***,homojunction-based photocatalysts have recently drawn growing attention in water *** this review,the synthetic approaches to preparing photocatalysts with various homojunction structures including p-n junction,phase junction,and facet junction were introduced,together with a comprehensive analysis and discussion on the latest progress in the application of photocatalytic water *** review work is expected to inspire more related work with promoted research on designing efficient homojunction-based photocatalytic systems for water splitting.

关键词： photocatalytic water splitting homojunction charge separation

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Experimental Study on Heat Transfer Characteristics of Supercritical Carbon Dioxide in a Vertical Circular Tube

SSRN

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SSRN 2025年

作者： Yang, Haikuo Nie, Ruishan Zhang, Kui Tian, Wenxi State Key Laboratory of Multiphase Flow in Power Engineering Department of Nuclear Science and Technology Xi’an Jiaotong University Xi’an710049 China

Supercritical carbon dioxide (S-CO2) nuclear energy and power systems have garnered significant attention for flow and heat transfer experiments because of their compact design, advanced circulation methods, and high thermal efficiency, aligning with future trends in nuclear power plant development. However, the dramatic change in physical properties of S-CO2 near its pseudo-critical point can lead to heat transfer deterioration (HTD) in heat exchangers, potentially damaging the S-CO2 Brayton system. This paper presents an experimental study on the HTD of S-CO2 in a vertical circular tube under forced circulation, examining how heat flux, inlet temperature, and system pressure influence *** analysis delves into the mechanisms of HTD, focusing on the buoyancy and flow acceleration effects. Additionally, the study explores the impact of heat flux and system pressure on S-CO2 natural circulation. Ultimately, the research summarizes the flow and heat transfer characteristics of S-CO2 and proposes a new heat transfer correlation formula, demonstrating an error margin within ±25%, which meets practical engineering requirements. This experimental study contributes valuable data to the understanding of flow and heat transfer phenomena in S-CO2, offering significant insights for future applications. © 2025, The Authors. All rights reserved.

关键词： Nuclear energy

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Comparative experimental study on dynamic characteristics of bubble microlayers in small channel flow boiling and pool boiling 6

Comparative experimental study on dynamic characteristics of...

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6th International Conference on Fluid Mechanics and Industrial Applications, FMIA 2022

作者： Shen, Zhongxiang Gao, Ming Dong, Wuhan Zhang, Lixin Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering School of Energy and Power Engineering University of Shanghai for Science and Technology Shanghai200093 China

The microlayer present at the bottom of the bubble plays a very important role in heat transfer during nucleation boiling. In this paper, the dynamic characteristics of microlayer at the bottom of boiling bubble in a small channel were studied by laser interferometry method and high speed camera, and the results were compared with pool boiling experiments. The results show that the bubbles have an obvious tendency to slip in the flow boiling. The microlayer interference fringe is deformed and no longer a complete Newtonian ring. By analyzing the thickness distribution of microlayer in different directions in flow boiling and the change of micro-contact angle in the flow direction, it was found that the micro-contact angle in the flow direction became larger with the growth of bubbles. © Published under licence by IOP Publishing Ltd.

关键词： Contact angle

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Simulation Study on Heat Exchangers Characteristics of Solar Thermal Steam System Based on Aspen Plus 2

Simulation Study on Heat Exchangers Characteristics of Solar...

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2nd International Conference on Algorithms, High Performance Computing and Artificial Intelligence, AHPCAI 2022

作者： Chen, Pengfei Chen, Kang Peng, Huaiwu Zhang, Yanlong Bawaa, Baercheng Zhao, Qiuyang Institute of Solar Engineering Technology Northwest Engineering Corporation Limited Power China Xi'an710065 China Xi'An Jiaotong University State Key Laboratory of Multiphase Flow in Power Engineering Xi'an China

ISBN: (纸本)9798350334784

In the thermal recovery project of thick oil, there are high standards for steam temperature and flow rate. The solar thermal steam supply system can convert unstable solar energy into stable and efficient carrier heat, which can be used to transfer heat to low-temperature water to produce high-temperature steam and achieve a clean and low-carbon steam supply. The rated pressure of steam and the split ratio of molten salt in the heating system have a great influence on the demand area and heat load of solar panels. In this paper, a simulation is made on the solar thermal steam supply system based on Aspen Plus. The simulation result shows that the increase in pressure will cause a growth in the area of the photothermal concentrator field but will reduce the area used for photovoltaic panels. At the same time, it reduces the heat load of the evaporator and extends its service life. The split ratio affects the molten salt temperature at the outlet of the superheater and the reheater. When the split ratio increases, the heat transfer temperature difference between the two ends of the superheater heat flow decreases, and the heat transfer temperature difference of the reheater grows bigger. Therefore, the molten salt temperature flowing out of the reheater rises. © 2022 IEEE.

关键词： Heat exchangers

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Assessment on the rings cleavage mechanism of polycyclic aromatic hydrocarbons in supercritical water: A ReaxFF molecular dynamics study

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Journal of Molecular Liquids 2024年 415卷

作者： Zhao, Hao Zhang, Yingjia Zhou, Shumei Chen, Ruiqi Huang, Zuohua State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University No. 28 Xianning West Road Shaanxi Xi'an710049 China

The ring opening reaction of polycyclic aromatic hydrocarbons (PAHs) is one of the rate-determining steps of coal gasification within supercritical water, while the involvement of water remains debated between addition and hydrogen abstraction theories. In this study, reactive molecular dynamics (MD) simulations were performed to explore the ring opening reaction of naphthalene, the simplest PAH, at temperatures of 2500–2700 K. Species and elementary reactions were quantitatively extracted from bond order trajectories using an in-house program. Reaction path analysis shows that ring opening paths of naphthalene mainly include thermolysis, H˙ atom abstraction, and O˙H radical addition. Flux analysis indicates O˙H radical largely from the H˙ + [Formula presented] = O˙H + [Formula presented] reaction, while the water dissociation [Formula presented] = O˙H + H˙ reaction is near equilibrium, seldom contributing to the O˙H source. This atomistic kinetics analysis is intended to help the modeling of supercritical water gasification of coal. © 2024 Elsevier B.V.

关键词： Naphthalene

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Simulation and Experiment on Elbow Wear in Pneumatic Conveying System

Simulation and Experiment on Elbow Wear in Pneumatic Conveyi...

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International Conference on power engineering 2021, ICOPE 2021

作者： Xiaole, Chen Qulan, Zhou Du, Wen Qingtian, Liu Na, Li State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University China

Elbow wear, which is most likely occurring in pneumatic conveying, becomes a key factor in development of pneumatic conveying. This paper used 3D DEM-CFD to simulate the elbow wear in pneumatic conveying system. Simulation results show that: elbow wear is linear with material mass flow rate. Elbow wear increases along with the increasement of material particle velocity. When the velocity changes from 0 to 10m/s, the elbow wear increases 3.13 times. Elbow wear increases while the radius of material particles is growing. When the particles radius increases from 0.1mm to 0.5mm, the elbow wear increases 11.13%. This paper also established a complete pneumatic conveying device for experiment. In pneumatic conveying experiment, the pressure loss was measured in situations: different airflow velocity, different velocity of material particles. The results of experiment show the same regular indicated in simulation. © 2021 The Japan Society of Mechanical Engineers.

关键词： Wear of materials

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ReaxFF-MD simulation investigation of the degradation pathway of phenol for hydrogen production by supercritical water gasification

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Energy Storage and Saving 2023年第4期2卷 578-585页

作者： Deming Zhang Shaoqi Wang Yu Feng Zixuan Wang Hui Jin School of Mechanical Engineering and Automation Harbin Institute of TechnologyShenzhenGuangdong518055China Institute of Intelligent Ocean Engineering Harbin Institute of TechnologyShenzhenGuangdong518055China State Key Laboratory of Multiphase Flow in Power Engineering(SKLMF) Xi’an Jiaotong UniversityXi’an710049China

Wastewater from the thermochemical conversion of coal and biomass contains a significant amount of phenolic structures *** degradation of these phenolic compounds to hydrogen-rich gasses can prevent envi-ronmental pollution and save *** water(SCW)gasification of phenol is experimentally studied and a reactive force field molecular dynamics(ReaxFF-MD)simulation is conducted to investigate the catalytic mechanism of Ni/Al2 O3 in the phenol *** experimental results indicate that Ni/Al2 O3 facilitates the conversion of phenol to 1-ethoxy butane via ring opening,which is a crucial step for complete *** ReaxFF-MD simulation demonstrated that Ni facilitates the formation of H3 O free radicals and Ni-phenol inter-mediates.H3 O free radicals can be decomposed into H2 and OH free *** the generated OH free radical and Ni-phenol intermediate promote the ring-opening reaction of *** promotes the direct decomposition of phenol into C1,C2,and C3 fragments,which is beneficial for further complete gasification.

关键词： Supercritical water gasification Phenol degradation Ring opening process ReaxFF-MD

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Experimental study on the influence of the temperature and thermal Stress of water wall in different arrangements of burners

Experimental study on the influence of the temperature and t...

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International Conference on power engineering 2021, ICOPE 2021

作者： Wei, Lin Zhou, Qulan Liu, Zhuhan Li, Na State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University China

To study the water walls' safety problems of the opposed firing boiler, thermal experiments for four typical arrangements of burners conditions are run in a laboratory-scale boiler. The four working conditions include 25% rated load (four burners are arranged side by side on the front wall), 50% rated load (eight burners are all arranged on the front wall;eight burners are arranged opposed to each other on the front and rear walls) and 100% load (front and rear walls are filled with sixteen burners). The principal strain, principal stress and temperature distribution of the water wall under four operating conditions are drawn for comparison and analysis. In addition, the results of the thermal stress, principal main stress direction and water wall temperature of the four working conditions are counted respectively to summarize the laws of them. This study highlights the influence of the temperature and thermal stress on water walls in different arrangements of burners to guide the safe operation of water walls in the real opposed firing boiler. © 2021 The Japan Society of Mechanical Engineers.

关键词： Thermal stress

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Numerical Analysis of Thermal-Hydraulic Characteristics of the Whole Lfr Core Under Blockage Conditions

SSRN

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SSRN 2024年

作者： Yu, Jiacheng Liu, Kai Qiu, Hanrui Wang, Mingjun Tian, Wenxi Su, Guanghui State Key Laboratory of Multiphase Flow in Power Engineering Department of Nuclear Science and Technology Xi’an Jiaotong University Xi’an China

Blockage accidents are critical scenarios in the design and safety analysis of lead-bismuth cooled fast reactor (LFR) core. Traditional analysis of blockage accidents in LFR focuses on localized, fine-scale computational fluid dynamics (CFD) simulations of single or three assemblies, but the analysis of the whole core scale impact caused by blockage accidents is insufficient. Therefore, this paper uses CorTAF-LBE, a three-dimensional thermal-hydraulic analysis code developed by XJTU-NuTHeL, to analyze the impact of blockage accidents on the whole core of the LFR. The reliability of the code in calculating thermal-hydraulic parameters under blockage accidents was validated based on the KALLA-THEADES and KALLA-IWF experiments. Taking the MYRRHA-FASTEF core as the object, simulations and analyses are conducted for various blockage scenarios with different lengths and positions. The results indicate that blockage accidents lead to an enlarged coolant temperature gradient at the core outlet. Lengthening the blockage results in an elevation of the peak temperature in the cladding. Under 2.06% blockage at the center of the assembly, blockage in the middle of the heating segment poses the greatest threat to cladding integrity, with the maximum temperature reaching 1336.9K, an increase of 635.4K compared to normal operating conditions. Under 4.59% blockage at the edge of the assembly, the maximum cladding temperature reaches 1381.8K, and the heat transfer rate of the inter-wrapper flow (IWF) adjacent to the blockage area is 24.2% higher than under normal operation. Additionally, severe degradation in heat transfer downstream was not observed in several simulated blockage scenarios. © 2024, The Authors. All rights reserved.

关键词： Fast reactors

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