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Thermal management performance and optimization of a hybrid system integrating liquid cooling and fin-enhanced phase change material for large-capacity energy storage battery pack

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Energy Conversion and Management 2025年 336卷

作者： Lin, Xiang-Wei Zhou, Zhi-Fu Liu, Maochang Chen, Bin Lu, You-Jun Jing, Deng-Wei Guo, Liejin State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China

Battery energy storage systems become increasingly important to address the intermittency of renewable energies, but their widespread adoption is still hindered by thermal concerns. However, a single thermal management strategy cannot ensure the overall performance of energy storage battery systems. In this study, a hybrid strategy combining topological fin structure, phase change material, and active liquid cooling is established for 280 Ah lithium-ion battery pack. A fluidic-thermal-phase change coupled model is built and verified experimentally. Meanwhile, a novel comprehensive evaluation parameter is defined to feature the overall performance of thermal management system. Based on this, comparative investigations are conducted to assess the efficiency of three cooling strategies. Despite additional weight caused by hybrid design, topological fin structure not only constructs the thermal conduction in phase change material but also dissipates the accumulated heat by connecting cold plate. Additionally, the impacts of fin fraction, thickness of phase change material, and inlet velocity are systematically explored using single-factor analysis. Furthermore, a surrogate-based model is utilized to reveal the interactions between design parameters and system performance, while accomplishing a global optimization. In contrast to original design, comprehensive evaluation parameter is reduced by 0.21., 0.273, 0.256, and 0.2 for discharge rates of 0.25, 0.5, 0.75, and 1., respectively. © 2025 Elsevier Ltd

关键词： Battery storage

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Thermophysical property prediction of supercritical multiple mixtures fluid by molecular dynamics simulation

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Journal of Molecular Liquids 2025年 432卷

作者： Gui, Tete Li, Jiasunle Ge, Zhiwei Guo, Liejin State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China

Supercritical multiple mixtures (H2O/CO2) fluids are produced in the poly-generation system based on supercritical water gasification (SCWG). Understanding the thermophysical property of supercritical multiple mixtures fluid is rather essential to design and industrialize the poly-generation system. At present, the selection of force field models for H2O/CO2 mixtures are rather complicated, chaotic and inconsistent, the calculation of each parameter necessitates the use of one force field model. There is no universal force field model to calculate and conduct thermophysical property of H2O/CO2 at one time in a wide range of temperature within SCW. In this paper, heat capacity, viscosity and thermal conductivity of multiple mixtures in supercritical and near-critical water (575 K–1.75 k) are first investigated via a novel common force field model with molecular dynamics (MD) simulations. The effects of different factors including the pressure, temperature and CO2 mass fraction on thermophysical properties of H2O/CO2 at a wide range of temperature were first analyzed and conducted in detail. The calculated results indicate that the phenomenon "critical point drift" for viscosity and thermal conductivity of H2O/CO2 mixtures migrating toward the low temperature region occurs. The drift values of viscosity and thermal conductivity are about 1. K and 28 K. The variation of heat capacity and viscosity of H2O/CO2 mixtures increases with increasing pressures only in low temperatures region (700 K-–800 K), while the thermal conductivity always increases with increasing pressures. When the mass fractions of CO2 increases from 20 % to 40 % and 60 %, the drift values for thermal conductivity and viscosity of H2O/CO2 mixtures decreases from 628 K to 624 K and 620 K, and from 627 K to 61. K and 61. K, respectively, and the peak heat capacity decreases from 64.9 J/mol·K to 52.4 J/mol·K and 45.1.J/mol·K. The fitting polynomial to determine conductivity, viscosity and heat capacity H

关键词： Temperature distribution

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On revised mixture fraction describing multi-stream mixing

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Combustion and Flame 2025年 277卷

作者： Wang, Ziqi Zhang, Weijie Huang, Hai Wang, Jinhua Huang, Zuohua State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China

Multi-stream mixing is common in practice but cannot be modeled using the traditional Bilger mixture fraction defined for only two streams. This work was intended to define the multi-stream mixture fractions that can be adopted in flamelet-tabulated combustion models to simulate the multi-stream mixing and combustion. These mixture fractions are expressed as linear combinations of species mass fractions like the Bilger mixture fraction. The present definition is special as the new mixture fractions are nonconservative and can include the preferential diffusion (PD) effects which were often ignored before. Meanwhile, it can be appliable for any number of inlet streams. The multi-stream mixture fractions are derived based on some basic conserved scalars, like the element mass fractions, enthalpy, and transported scalars. Governing equations for the multi-stream mixture fractions are also presented. © 2025 The Combustion Institute

关键词： Volume fraction

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Novel numerical method establishment and performance evaluation for rotary adsorption and desorption wheel for carbon capture

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Applied Thermal engineering 2025年 274卷

作者： Gao, Rongze Wang, Limin Wang, Chang'an Tang, Chunli Li, Yuhang Che, Defu State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi'an Jiaotong University Xi'an710049 China School of Mechanical Engineering Xi'an Shiyou University Xi'an710065 China

Due to the great compactness and ease of operation, the rotary adsorption and desorption wheel (RADW) is applicable for carbon capture in power plants using temperature swing adsorption (TSA). Commercial CFD-based software such as Fluent is commonly used to evaluate the RADW performance but the computing time is too long. However, few studies have focused on the computational efficiency and stability of complicated coupled heat and mass transfer processes in the RADW. A detailed iteration format and method for independent programming is urgently needed for both rapid design calculation and real-time performance monitoring in power plants. A novel rapid solution method using the mixed implicit and explicit (MIE) strategy to achieve the cyclic steady state (CSS) in the rotary bed was proposed, which can be used for heat transfer, mass transfer, and the coupled transfer processes. A comparison in terms of accuracy and efficiency was made between Fluent and the proposed method. In order to illustrate the applicability and universality of the proposed method, characteristics of the mass and temperature distribution in the RADW packed with amine-functionalized G3M were obtained, and the effects of different parameters on the adsorption and desorption behavior of RADW were studied. The correlation for the adsorption efficiency calculation operation was fitted, with which the adsorption efficiency under different operating conditions can be quickly obtained. © 2025

关键词： Osmosis

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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 {1. 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 {1. acceleration effects. Additionally, the study explores the impact of heat flux and system pressure on S-CO2 natural circulation. Ultimately, the research summarizes the {1. 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 {1. 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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Electrochemical evolution of a metal oxyhydroxide surface on two-dimensional layered metal phosphorus trisulfides enables the oxidation of amine to nitrile

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Carbon Energy 2025年第3期7卷 133-147页

作者： Binglan Wu Karim Harrath Marshet Getaye Sendeku Tofik Ahmed Shifa Yuxin Huang Jing Tai Fekadu Tsegaye Dajan Kassa Belay Ibrahim Xueying Zhan Zhenxing Wang Elisa Moretti Ying Yang Fengmei Wang Alberto Vomiero State Key Laboratory of Chemical Resource Engineering College of ChemistryBeijing University of Chemical TechnologyBeijingChina CAS Key Laboratory of Nanosystem and Hierarchical Fabrication National Center for Nanoscience and Technology(NCNST)BeijingChina Shaanxi Provincial Key Laboratory of Electroanalytical Chemistry Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of EducationCollege of Chemistry&Materials ScienceNorthwest UniversityXi'anChina State Key Laboratory of Multiphase Flow in Power Engineering International Research Center for Renewable EnergyXi'an Jiaotong UniversityShaanxiChina Fundamental Science Center of Rare Earths Ganjiang Innovation AcademyChinese Academy of ScienceGanzhouChina Ocean Hydrogen Energy R&D Center Research Institute of Tsinghua University in ShenzhenShenzhenChina Department of Molecular Sciences and Nanosystems Ca'Foscari University of VeniceVenezia MestreItaly Testing and Analysis Center Institute of Chemistry Chinese Academy of SciencesBeijingChina Department of Engineering Sciences and Mathematics Division of Materials ScienceLuleåUniversity of TechnologyLuleåSweden

Selective oxidation of amines to imines through electrocatalysis is an attractive and efficient way for the chemical industry to produce nitrile compounds,but it is limited by the difficulty of designing efficient catalysts and lack of understanding the mechanism of ***,we demonstrate a novel strategy by generation of oxyhydroxide layers on two-dimensional iron-doped layered nickel phosphorus trisulfides(Ni1.xFexPS_(3))during the oxidation of benzylamine(BA).In-depth structural and surface chemical characterizations during the electrocatalytic process combined with theoretical calculations reveal that Ni(1.x)FexPS_(3) undergoes surface reconstruction under alkaline conditions to form the metal oxyhydroxide/phosphorus trichalcogenide(NiFeOOH/Ni1.xFexPS_(3))***,the generated heterointerface facilitates BA oxidation with a low onset potential of 1.39 V and Faradaic efficiency of 53%for benzonitrile(BN)*** calculations further indicate that the as-formed NiFeOOH/Ni1.xFexPS_(3) heterostructure could offer optimum free energy for BA adsorption and BN desorption,resulting in promising BN synthesis.

关键词： 2D layered materials benzylamine oxidation metal phosphorus trichalcogenides surfacereconstructed heterostructure

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Toward the influence of fluid convection on filtered drag force in fluidized gas-particle flows

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Powder Technology 2025年 460卷

作者： Jiang, Ju Yuan, Shouzheng Chen, Xiao Yang, Bolun Zhou, Qiang School of Chemical Engineering and Technology Xi'an Jiaotong University Xi'an710049 China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China

Mesoscale drag modeling for gas-solid flows is typically based on fully-periodic systems where fluid convection is insignificant. This study examines a series of 2D sudden-expanded fluidized beds (SEFBs) to investigate the effects of fluid convection on the filtered drag force. A priori analysis indicates that the volumetric force induced by convection has a notable impact on the filtered drag force, and correlations of drag force using traditional markers (such as solid volume fraction, slip velocity, and filter size) fail to provide accurate predictions. In contrast, the gas-phase pressure gradient shows a good correlation with drag force when strong convection is present. Posterior tests in the SEFBs with several existing drag models reveal that the predictive capacity of drag models constructed with traditional markers declines under conditions with strong convection, whereas the drag model incorporating the gas-phase pressure gradient still performs well. © 2025 Elsevier B.V.

关键词： Drag coefficient

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Molecular dynamics revealing the non-monotonic variation of oil–water interfacial tension under the effect of cations and asphaltenes

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Journal of Molecular Liquids 2025年 431卷

作者： Zhang, Faxue Wen, Boyao Lu, Xi Wang, Haibo Luo, Zhengyuan Bai, Bofeng State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Shaanxi Xi'an710049 China Petroleum Exploration and Production Research Institute of Sinopec Beijing China

The cations can significantly affect the interfacial dynamics of asphaltene molecules, which greatly change the mechanics of oil–water interfaces and thus have a remarkable impact on the chemical flooding process of heavy oil. However, Due to the weak amphiphilic property of asphaltene, the effects of cations on the interfacial behaviors of asphaltene as well as the interfacial mechanics are still unclear. Here, we study the effects of different types and concentrations of cations (Na+, Ca2+ and Mg2+) on the interfacial tension of oil–water systems with different asphaltenes (C5Pe) concentrations by using molecular dynamics simulations. As asphaltene concentration rises, the stronger interactions between cation and asphaltene induce an interfacial enrichment of asphaltenes, resulting in a decrease of interfacial tension. The cations have a more prominent impact on the interfacial tension when the oil–water interfaces reach supersaturated adsorption state of asphaltene molecules. The interfacial tension shows a non-monotonic variation with cation concentration increasing, which has a minimum at intermediate cation concentrations in our simulations. We explain this non-monotonic dependence of interfacial tension on cation concentration by a coupling effect of cations and asphaltene molecules. Under low cation concentrations, the interaction between cations and asphaltenes gradually enhances with cation concentration increasing, leading to a weaker π–π interaction between asphaltenes. Consequently, the asphaltene aggregates disperse and individual asphaltene molecules can easily migrate to the interface. The surface density of asphaltene thus increases, causing a reduction in interfacial tension. At high cation concentrations, cations strongly shield the electrostatic attraction between asphaltene and water molecules, so that the adsorption ability of asphaltenes at interface will weaken or even desorb, thus the interfacial tension elevate. Our results reveal the under

关键词： Adsorption Aggregation Asphaltenes Cations Interfacial tension Molecular dynamics

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Molecular dynamics study on bubble nucleation characteristics on rectangular Nano-Grooved surfaces

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Journal of Molecular Liquids 2025年 420卷

作者： Li, Zhibin Lou, Jiacheng Wu, Xiaoyi Li, Xujun Chang, Fucheng Wang, Hengyuan Li, Huixiong State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 China National Key Lab of Aerospace Power System and Plasma Technology School of Mechanical Engineering Xi'an Jiaotong University Xi'an710049 China

The micro/nanoscale structures on metal surfaces are of significant research interest for boiling heat transfer and exhibit great application potential in the thermal management of high-power electronic devices. This study employs the molecular dynamics simulation method to investigate the boiling heat transfer characteristics of hydrophilic rectangular shallow nano-groove structures, comparing them with the smooth surface. The phase transition heat transfer characteristics of liquid films on the smooth surface, single rectangular groove (SRG) surface, and overlapping rectangular groove (ORG) surface are revealed by analyzing the variations of parameters such as energy contour diagrams, bubble volume, liquid film temperature, and average potential energy. The research results indicate that water molecules are in a solid-like {1. within shallow grooves, while the nucleation sites of initial bubbles form randomly outside the grooves. During the initial heating and bubble growth, the initial nucleation time and bubble growth rate of ORG are slower than those of SRG, due to the small rectangular groove on ORG that diminishes the energy transfer efficiency. During bubble formation and growth, the average kinetic energy within the liquid film fluctuates at the nucleation moment in the critical nucleation region, and the average potential energy rises from −0.083 eV. These findings provide a theoretical basis for the micro/nanoscale structure design of vapor-liquid phase transition thermal management devices. © 2024 Elsevier B.V.

关键词： Kinetic energy

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Hydrocarbon generation reaction kinetics study on supercritical water conversion of centimeter sized medium and low maturity organic-rich shale

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Petroleum Science 2025年

作者： Xie, Tian Zhao, Qiu-Yang Jin, Hui Wang, Ye-Chun Guo, Lie-Jin College of New Energy Xi'an Shiyou University Shaanxi Xi'an710065 China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Shaanxi Xi'an710049 China

Accurate prediction of the composition of pyrolysis products is the prerequisite for achieving directional regulation of organic-rich shale pyrolysis and conversion products. In this paper, the classical segmented pyrolysis kinetics model and a new refined pyrolysis kinetics model were used to forecast the composition distribution of hydrocarbon generation products co-heated by supercritical water and medium and low maturity organic-rich shale. The prediction accuracy of the two reaction kinetics models for the composition of pyrolysis products of organic-rich shale was compared. The reaction path of hydrocarbon generation in centimeter sized organic-rich shale under the action of supercritical water was identified. The results show that the prediction accuracy of the classical segmented pyrolysis kinetics model was poor at the initial stage of the reaction, and gradually increased with increasing time. The prediction error can reach less than 25% when the reaction time was 1. h. The new refined model of reaction kinetics established is better than the classical reaction kinetics model in predicting the product distribution of pyrolysis oil and gas, and its prediction error is less than 1.% in this paper. The reaction paths of hydrocarbon generation in centimeter sized organic-rich shale under supercritical water conversion mainly include organic-rich shale directly generates asphaltene and saturated hydrocarbon, asphaltene pyrolysis generates saturated hydrocarbon, aromatic hydrocarbon and resin, saturated hydrocarbon, aromatic hydrocarbon and resin polymerization generates asphaltene, and saturated hydrocarbon, resin and asphaltene generates gas. The reason for the difference of centimeter sized and millimeter sized medium and low maturity organic-rich shales hydrocarbon generation in supercritical water is that the increase of shale size promotes the reaction path of polymerization of saturated hydrocarbon and aromatic hydrocarbon to asphaltene. © 2025 The Author

关键词： Crystallization kinetics

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