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作者： Liu, Dongjie Liu, Fei Zhou, Wenjing Chen, Fei Wei, Jinjia State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xi’an710049 China School of Chemical Engineering and Technology Xi’an Jiaotong University Xi’an710049 China

In this study, a coarse-grained molecular dynamic simulation was employed to test the influence of salts in morphology of structures in surfactant-polymer solutions. The surfactant was cetyltrimethyl ammonium chloride (CTAC) and the polymer was polyacrylamide (PAM). Six different salt concentrations were studied in the mixed surfactant-polymer solutions, and pure surfactant solutions with salts were also tested as control groups. By analyzing the shapes of micelles and the CTA+ aggregation number of micelles, we noted that the proper salt concentration can facilitate the formation of large micelles. In too high or too low salt concentration solutions only spherical or short rodlike micelles exist. The existence of PAM can also facilitate the formation of large micelles because polymers act as "bridges" and increase the probability of touch and coalescence of micelles. © Springer Nature Switzerland AG 2020.

关键词： Morphology

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Ethylene Oxidation with Ce-Modified Fe-Based Oxygen Carrier: Fuel Combustion Efficiency Improvement

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SSRN 2022年

作者： Sun, Tianli Wu, Ye Mei, Jian Han, Yinghui Cai, Tianyi Liu, Dong MIIT Key Laboratory of Thermal Control of Electronic Equipment School of Energy and Power Engineering Nanjing University of Science and Technology Nanjing210094 China Advanced Combustion Laboratory School of Energy and Power Engineering Nanjing University of Science and Technology Nanjing210094 China College of Resources and Environment University of Chinese Academy of Sciences Beijing100049 China 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

Improving combustion efficiency of diesel engine is very important in the current background of carbon neutralization because sufficient combustion means low pollutant emission and little energy waste. In past studies, catalytic coatings were used in diesel engine to speed up fuel-burning rates and reduce emissions caused by insufficient combustion. Insufficient combustion mainly in high temperature and low oxygen area, using oxygen carrier as the coating material for the combustor surface to support additional –O and regulate the combustion process also is a promising strategy. A desired Fe-based oxygen carrier with excellent redox capability and stability was fabricated to convert fuel pyrolysis products into CO2, H2O and extra heat to improve the fuel combustion efficiency. A range of cerium modified Fe2O3 oxygen carriers were prepared and tested with ethylene as a representative fuel to investigate the redox capability and stability during fuel pyrolysis process. In addition, the gas-solid surface reaction of ethylene and iron oxide was studied by density functional theory (DFT) to illustrate their good reactivity and the mechanism of doping optimization. It was found that when using the FeCe-2 oxygen carrier with the mole ration of Fe and Ce is 9:1 during ethylene pyrolysis process, the ethylene was oxidized most sufficiently (CO2 yield>92%). DFT simulation showed that Ce doping improved the reactivity of surface oxygen. Experimental data and characterization analysis showed that the addition of Ce improved oxygen vacancy capacity to enhance the oxidation for the pyrolysis products. Due to the role of both, the ethylene and its pyrolysis products were converted into CO2 and H2O quickly and effectively. The obtained results indicate that FeCe-2 is the potential oxygen carrier coating material for combustion efficiency improvement. © 2022, The Authors. All rights reserved.

关键词： Carbon dioxide

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Numerical Investigations for the Pcm and Liquid Immersion Cooling Effects on Lithium Ion Battery Thermal Runaway Mitigation

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SSRN 2023年

作者： Liu, Xinyu Zhou, Zhifu Wu, Wei-Tao Wei, Lei Wu, Weixiong Li, Yang Gao, Linsong Li, Yubai Song, Yongchen Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education Dalian University of Technology Dalian116024 China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi’an710049 China School of Mechanical Engineering Nanjing University of Science and Technology Nanjing210094 China Department of Mechanical and Energy Engineering Southern University of Science and Technology Shenzhen518055 China Energy and Electricity Research Center Jinan University Zhuhai519070 China

In this study, a three-dimensional (3D) thermal runaway (TR) model with conjugate heat transfer submodel is adopted. TR behaviors for a battery pack with 12 prismatic LIBs are then simulated. Three thermal safety measures of TR protection from internal shorting in Cell 1 to pack level configuration are compared and evaluated. Paraffin phase change material (PPCM) is firstly proposed to delay the TR propagation between LIBs with solid-liquid phase change as heat transfer mechanism. Different thicknesses of PPCMs are compared to verify the TR mitigation performance of the PPCM under thermal abuse condition. The TR time for the Cell 2 is delayed to be 64 s, 266 s and 414 corresponding to PPCM thickness of 1.8 mm, 3.6 mm and 5.4 mm. As the simulation results shows, this TR time can be further delayed to 798 s by a strategy with combing PPCM with insulation. In addition, this work proposes a novel thermal safety protection based on immersion cooling with pool boiling of fluorinated liquid as heat transfer mechanism. We observe that the average temperature of Cell 2 - Cell 12 tends to be within 34oC under immersive cooling condition, which indicates the possibility to prevent the TR. © 2023, The Authors. All rights reserved.

关键词： Lithium-ion batteries

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Evaluating the chemical kinetics of aluminium/alumina/water reactions using molecular dynamics

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Computational Materials Science 2025年 257卷

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

Strength of aluminium in generating heat and hydrogen through water reaction highlight its potential as a green hydrogen carrier, but the formation of a passive oxide layer (alumina) inhibits further reactions thus hydrogen yield. This study employs reactive molecular dynamics (MD) simulations with the ReaxFF force field to investigate interactions between water and alumina-coated aluminium surfaces at temperatures ranging from 1000 K to 2500 K. Analysis of diffusion-driven reaction kinetics shows that hydrogen generation is primarily controlled by hydrogen atom diffusion within the aluminium bulk. Higher temperatures significantly accelerate both diffusion and reaction rates, shifting the mechanism from diffusion-limited to chemically controlled. Atomic-level reaction pathway analysis, using an in-house atom status tracing code, reveals the dynamic evolution of aluminium atom states. The results emphasize the roles of hydrogen and oxygen diffusion and indicate that O–H bond cleavage mainly proceeds through internal atomic diffusion. These findings offer detailed atomic-scale insight into the aluminium-water reaction, capturing both oxidizer diffusion and thermal effects. The study highlights the importance of thermal activation in enhancing reaction efficiency and safety, reinforcing aluminium's potential for green hydrogen production in carbon–neutral energy systems. © 2025 Elsevier B.V.

关键词： Rate constants

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Supercritical Water Gasification of Phenol with Metal Cations-A Way to Degrade Coal Industrial Wastewater and Metal-Contaminated Wastewater Simultaneously

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SSRN 2022年

作者： Cao, Wen Wang, Shaoqi Ma, Lujing Liu, Shi Jin, Hui Wei, Wenwen Guo, Liejin State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Xianning West Road Xi’an710049 China Suzhou Academy of Xi’an Jiaotong University No.99 Ren’ai Road Jiangsu Suzhou215123 China

Phenol is a representative compound in coal industrial wastewater. Metal cations are the main harmful components in the wastewater of the electroplating and dyeing industries. Supercritical water gasification (SCWG) of phenol with metal cations could provide a promising way to degrade coal chemical wastewater and metal-containing wastewater simultaneously. In this study, SCWG of phenol with Mg2+, Mn2+, and Ni2+ was carried out to investigate the effect of metal cations on gasification results. Results showed that gaseous product was mainly composed of H2, CO, CH4 and CO2, and CO2 was the dominant one. Prolonging residence time and increasing the concentration of metal cations significantly increased the gas yield of CO2 and carbon gasification efficiency. Higher concentrations of metal cations facilitated methane-reforming reaction and water-gas shift reaction. Metal cations promoted the generation of 1-Ethoxybutane by the ring-breaking reaction and prevented the polymerization reaction. The order of catalytic effect was ranked as Ni2+>Mn2+>Mg2+. Mg2+, Mn2+ and Ni2+ were finally transformed into the corresponding metal hydroxides and metal oxides which could be recycled for reutilization. NiO could be reduced into metallic Ni, which consumed the H2 but effectively catalyzed SCWG of phenol. © 2022, The Authors. All rights reserved.

关键词： Phenols

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Evaluation of stability and catalytic activity of Ni catalysts for hydrogen production by biomass gasification in supercritical water

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Carbon Resources Conversion 2019年第1期2卷 95-101页

作者： Youjun Lu Hui Jin Rui Zhang State Key Laboratory of Multiphase Flow in Power Engineering(SKLMFPE) Xi’an Jiaotong UniversityXi’an 710049ShaanxiChina

Supercritical water gasification is a promising technology for wet biomass *** this paper,Ni and other metal catalysts were synthesized by wet *** stability and catalytic activities of Ni catalysts were ***,catalytic activities of Ni,Fe,Cu catalysts supported on MgO were tested using wheat straw as raw material in a batch reactor at 723 K and water density of 0.07 cm^(3)/*** results showed that the order of metal catalyst activity for hydrogen generation was Ni/MgO>Fe/MgO>Cu/***,the influence of different supports on Ni catalysts performance was *** results showed that the order of the Ni catalysts’activity with different supports was Ni/MgO>Ni/ZnO>Ni/Al_(2)O_(3)>Ni/ZrO_(2).Finally,the effects of Ni loading and the amount of Ni catalyst addition on hydrogen production,and the stability of Ni/MgO catalyst were *** was found that serious deactivation of Ni catalyst in the process of supercritical water gasification took *** if carbon deposited on the catalyst surface was removed by high temperature calcination and the catalyst was reduced with hydrogen,the activity of used catalyst was only partially restored.

关键词： Ni catalyst Deactivation Biomass gasification Supercritical water Hydrogen production

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Neural network-based interface reconstruction algorithm for two-phase fluid flow

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Fundamental Research 2025年

作者： Gong, Junhua Chen, Yujie Yu, Bo Sun, Dongliang Wang, Bohong Shi, Guoyun Chen, Bin State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China School of Mechanical Engineering Beijing Institute of Petrochemical Technology Beijing 102617 China School of Petroleum Engineering Yangtze University Wuhan 430100 China National & Local Joint Engineering Research Center of Harbor Oil & Gas Storage and Transportation Technology/Zhejiang Key Laboratory of Pollution Control for Port-Petrochemical Industry Zhejiang Ocean University Zhoushan 316022 China Kunlun Digital Intelligence Technology Company Beijing 102266 China

In two-phase fluid flow, the vapor-liquid interface tends to behave as a curved shape under the influence of surface tension. Curve reconstruction favors improving the resolution of bubbles or droplets in numerical studies. Based on artificial neural network (ANN) and convolutional neural network (CNN), two curve reconstruction algorithms, namely CIR-ANN and CIR-CNN, are proposed in this study. Both algorithms can achieve high-precision prediction of the center and radius when reconstructing interfaces using a portion of a standard circle, especially for the CIR-CNN algorithm. A strict mass conservation strategy is also proposed to ensure the reliability of the neural network predictions. In comparison with interface reconstruction algorithms such as piecewise linear interface construction (PLIC) algorithm, efficient least squares volume-of-fluid interface reconstruction algorithm (ELVIRA), quadratic spline based interface (QUASI) reconstruction algorithm after the first interface correction, Circle-based Interface Reconstruction (CIR), and CIR-ANN algorithm, the proposed CIR-CNN demonstrates good advantages in static interface reconstruction, with average accuracy ratios of 48.40, 86.69, 26.34, 4.07 and 2.26. However, when capturing the bubble under a complex rotation and shear recovery flow field, the advantage of the proposed algorithms decreases due to the increased complexity of the fluid volume fraction distributions. Regarding the computational time cost of reconstructing random circular interfaces, the proposed algorithms achieve average reduction ratios of 4.16, 7.86, and 34.14, respectively, compared to the CIR, ELVIRA, and QUASI algorithms. © 2025

关键词： ANN CNN Curve reconstruction Neural network Two-phase flow

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flow visualization study of two-phase flashing spray with iso-pentane 14

Flow visualization study of two-phase flashing spray with is...

引用

14th International Conference on Liquid Atomization and Spray Systems, ICLASS 2018

作者： Wang, J.F. Zhou, Z.F. Yang, T. Chen, B. Wang, G.X. Zhao, L. State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China Department of Mechanical Engineering University of Akron AkronOH44325-3903 United States

The explosive flashing spray commonly occurs during the accidental release of flammable and toxic pressure-liquefied gases in chemical or nuclear industry. This work conducts a small-scale flashing spray experiment in house to simulate the accidental release, aiming to investigate the macroscopic atomization characteristics, which is helpful for the risk assessments and therefore minimizing the impact of the release hazard. The iso-pentane was taken as the working medium, and a transparent straight-tube nozzle with inner diameter of 0.6 mm and length of 40 mm was employed to generate the flashing spray vertically. A high-speed camera was used to record the images of the flashing spray. The whole dynamic evolution was obtained. The effects of injection pressure (0.6 to 2.4 MPa) and initial temperature (40 to 60 oC) were fully explored, respectively. The experiment results indicate that the superheat and injection pressure have a coupled effect on flashing spray. The release of superheat results in phase change with the generation of bubble within liquid, which facilitates the break-up of liquid core and ligament liquid. Meanwhile, the increment of injection pressure can enhance the disturbance of the flow and the number of nucleation. © 2018 Solar Turbines Incorporated.

关键词： Atomization

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Analysis of Frequent Tube Burst of High Temperature Reheater in 600 MW Unit

Analysis of Frequent Tube Burst of High Temperature Reheater...

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2020 IEEE Sustainable power and Energy Conference, iSPEC 2020

作者： Sun, Ke Wang, Jiaan Yan, Yu Jiang, Jiahao Deng, Lei Che, Defu China Huadian Electric Power Research Institute Co. Ltd. Hangzhou310030 China State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'An Jiaotong University Xi'an710049 China

ISBN: (纸本)9781728191645

The reasons of frequent tube burst of the high temperature reheater in a supercritical 600 MW unit were systematically investigated via the examination of macroscopic inspection, chemical composition, mechanical properties, microstructures, scanning electron microscope and energy disperse spectroscopy detection. It is demonstrated that the tube burst of the high temperature reheater results from not only design factors, but also manufacture quality. Due to the absence of solid solution treatment in spare elbow, the inner dislocations and residual stress increase obviously, which accelerates the precipitation of carbide containing Cr and the formation of Cr depleted zone on grain boundary(GB) subsequently, leading to the decrease of GB corrosion resistance and the final leakage of high temperature reheater tube induced by intergranular corrosion. © 2020 IEEE.

关键词： Carbides

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Startup transient thermal-hydraulic analysis of a lithium heat pipe cooled reactor Core

Startup transient thermal-hydraulic analysis of a lithium he...

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2020 International Topical Meeting on Advances in Thermal Hydraulics, ATH 2020

作者： Liu, Xiao Tian, Zhixing Wang, Chenglong Tian, Wenxi Qiu, Suizheng Su, Guanghui Shanxi Engineering Research Center of Advanced Nuclear Energy School of Nuclear Science and Technology Xi'an Jiaotong University State Key Laboratory of Multiphase Flow in Power Engineering Xi'an710049 China

ISBN: (纸本)9780894487774

Heat pipe cooled reactor has been proposed for applying in the space station and underwater exploration featured with high reliability, low noise level and compact structure. A typical design of a heat pipe cooled reactor system is HP-STMCs designed by the University of New Mexico. It is conceptually designed as a fast reactor, lithiumfilled heat pipes that transfer heat to potassium heat pipes radiator and thermoelectric generators. In this paper, a code is developed for studying the operating thermal-hydraulic characteristics of the reactor core, which consists of core thermal-hydraulic model, neutron kinetics model and heat pipe startup model. The highest temperatures of fuel and matrix in reactor core shows at the 2nd channel, which reach 1720K and 1545K from the results of steady-state. As for the startup transient, the code for heat pipe cooled reactor core successfully predicts key parameters during startup transient, such as each layer material temperature of reactor core, a single heat pipe's temperature response and heat rejection power. The code has initially predicted the transient response of the heat pipe cooled reactor under 800W/s and130W/s power increasing rates. It is discussed that the startup strategy of power increasing rates is based on heat pipe transition temperature (916K). This research provides valuable experience for designing and formulating control strategies of the heat pipe cooled reactor. © ATH 2020 - International Topical Meeting on Advances in Thermal *** rights reserved.

关键词： Heat pipes

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