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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 state 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

Experimental Study on the Plate-Type Fuel Melting Behaviors Based on Alternative Materials

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SSRN 2024年

作者： Wu, Zhiyuan Li, Kepiao Zhang, Kui Chen, Ronghua Tian, Wenxi Qiu, Suizheng State Key Laboratory of Multiphase Flow in Power Engineering Department of Nuclear Science and Technology Xi’an Jiaotong University Xi’an710049 China

In this paper, low-temperature experiments are carried out on the visualized experimental device to study the melting behavior of plate-type fuel in severe accidents of the reactor. In the experiments, the plate-type fuel with different sizes made of nickel-chromium alloy, zinc and aluminum was used to carry out the visualized experiments in air, argon, and vacuum environment. It was found that both the size of the plate and the experimental environment have a significant influence on the melting behavior in this study. And the temperature distribution, melting behavior characteristic, the key parameters such as foaming position, foaming size, breaking position and breaking size were also obtained. Based on the experimental data, the physical phenomena and processes related to the blistering and melting of the fuel plates are analyzed in this paper, which provides experimental data support for the development of analysis model and formulating perfect mitigation strategies for severe accidents. © 2024, The Authors. All rights reserved.

关键词： Melting

Manipulating metal-oxygen local atomic structures in singlejunctional p-Si/WO_(3) photocathodes for efficient solar hydrogen generation

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Nano Research 2021年第7期14卷 2285-2293页

作者： Wu Zhou Chung-Li Dong Yiqing Wang Yu-Cheng Huang Lingyun He Han-Wei Chang Shaohua Shen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityShaanxi 710049China Department of Physics Tamkang UniversityTamsui 25137TaiwanChina

Self-passivation in aqueous solution and sluggish surface reaction kinetics significantly limit the photoelectrochemical(PEC)performances of silicon-based ***,a WO_(3) thin layer is deposited on the p-Si substrate by pulsed laser deposition(PLD),acting as a photocathode for PEC hydrogen *** to bare p-Si,the single-junctional p-Si/WO_(3) photoelectrodes exhibit excellent and stable PEC performances with significantly increased cathodic photocurrent density and exceptional anodic shift in onset potential for water *** is revealed that the WO_(3) layer could reduce the charge transfer resistance across the electrode/electrolyte interface by eliminating the effect of Fermi level pinning on the surface of *** importantly,by varying the oxygen pressures during PLD,the collaborative modulation of W–O bond covalency and WO6 octahedral structure symmetry contributes to the promoted charge carrier transport and ***,a large band bending at the p-Si/WO_(3) junction,induced by the optimized O vacancy contents in WO_(3),could provide a photovoltage as high as~500 mV to efficiently drive charge transfer to overcome the water reduction ***,by manipulating W–O local atomic structures in the deposited WO_(3) layer,a great improvement in PEC performance could be achieved over the singlejunctional p-Si/WO_(3) photocathodes for solar hydrogen generation.

关键词： silicon local atomic structure water splitting photocathodes hydrogen generation

Numerical Study on Combustion and NOx Emission Characteristics of Co-Firing Semi-Coke and Coal in a Tangentially-Fired Utility Boiler 9th

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Numerical Study on Combustion and NOx Emission Characteristi...

9th International Symposium on Coal Combustion, ISCC 2019

作者： Feng, Qinqin Wang, Chang’an Wang, Pengqian Wang, Zhichao Yao, Wei Zhao, Lei Du, Yongbo Che, Defu State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi’an Jiaotong University Xi’an710049 China Xi’an Thermal Power Research Institute Co. LTD Xi’an710054 China

ISBN: (纸本)9789811616563

With the booming coal industry and the increasing production of semi-coke, a large number of small particles and powder pyrolysis semi-coke are urgent to be exploited. Co-firing semi-coke with coal is a potential approach to achieve clean and efficient utilization of such low-volatile fuel. In this paper, the co-combustion performance of semi-coke and coal in a 135 MW tangentially-fired boiler was investigated by numerical simulation. The influences of semi-coke blending ratio, blending mode and injection position on the combustion efficiency and NOx generation characteristics of the utility boiler were extensively analyzed. The simulation results indicated that the NOx emission at the furnace outlet was elevated and the burn-out ratio declined with an increase in semi-coke blending ratio. Different heights of semi-coke injected position could lead to different combustion efficiency and NOx emissions. The semi-coke was recommended to be injected from the middle layer of burners to obtain low carbon content in fly ash. The blending methods (in-furnace versus out-furnace) had certain impacts on the NOx emission and carbon content in fly ash. High burn-out ratio could be obtained when the semi-coke and coal were injected from different burners. © 2022, Tsinghua University Press.

关键词： Coal

Progress and key challenges in catalytic combustion of lean methane

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Journal of Energy Chemistry 2022年第12期75卷 173-215,I0005页

作者： Xiangbo Feng Lei Jiang Danyang Li Shaopeng Tian Xing Zhu Hua Wang Chi He Kongzhai Li Xi’an Key Laboratory of Advanced Photoelectronics Materials and Energy Conversion Device School of ScienceXijing UniversityXi’an 710123ShaanxiChina State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization Kunming University of Science and TechnologyKunming 650093YunnanChina Faculty of Metallurgical and Energy Engineering Kunming University of Science and TechnologyKunming 650093YunnanChina State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power EngineeringXi'an Jiaotong UniversityXi'an 710049ShaanxiChina National Engineering Laboratory for VOCs Pollution Control Material&Technology University of Chinese Academy of SciencesBeijing 101408China

As a primary type of clean energy,methane is also the second most important greenhouse gas after CO_(2)due to the high global warming *** quantities of lean methane(0.1–1.0 vol%)are emitted into the atmosphere without any treatment during coal mine,oil,and natural gas production,thus leading to energy loss and greenhouse *** general,it is challenging to utilize lean methane due to its low concentration and flow instability,while catalytic combustion is a vital pathway to realize an efficient utilization of lean methane owing to the reduced emissions of polluting gases(e.g.,NOxand CO)during the *** particular,to efficiently convert lean methane,it necessitates both the designs of highly active and stable heterogeneous catalysts that accelerate lean methane combustion at low temperatures and smart reactors that enable autothermal operation by optimizing heat *** this review,we discuss the in-depth development,challenges,and prospects of catalytic lean methane combustion technology in various configurations,with particular emphasis on heat management from the point of view of material design combined with reactor *** target is to describe a framework that can correlate the guiding principles among catalyst design,device innovation and system optimization,inspiring the development of groundbreaking combustion technology for the efficient utilization of lean methane.

关键词： Lean methane combustion Catalyst design Heat management Reactor optimization Catalytic mechanism

Novel Catalyst Coatings on Gas Diffusion Layers for Improved Proton Exchange Membrane Water Electrolysis: A Microscopic Analysis of D-Orbital Electron Interactions in Co0.75Ru0.21Ir0.04O0.9

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SSRN 2024年

作者： Wang, Weiding Wang, Hao Zhang, Yan Yang, Suyi Wang, Baoyuan Dong, Wenxuan Li, Lubing Zhang, Lei Su, Jinzhan Guo, Liejin International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering School of Energy & Power Engineering Xi’an Jiaotong University Xi’an710049 China

Proton exchange membrane water electrolysis (PEMWE) has emerged as a reliable water splitting technology in recent years. The oxygen evolution reaction (OER) at the anode, is the rate-determining step in water electrolysis, and therefore, the kinetic and mass transfer performance of the oxygen evolution reaction should be further studied. Efficient electron and water transfer between the catalyst layer (CL) and gas diffusion layer (GDL) is crucial for optimizing PEMWE performance. In this work, Ru-core modified materials were successfully synthesized via a hydrothermal method and then spray-coated onto the surface of the gas diffusion layer. Physical and electrochemical characterization showed that 0.10 mg cm-2 was the optimal dosage of the coating. The single cell with this optimal coating exhibited a well-promoted and outstanding performance that a cell voltage of 1.71 V@1 A cm-2 and an overpotential of 222 mV@10 mA cm-2. This enhancement was primarily attributed to the improved ohmic and mass transfer properties. Specifically, the promotion of kinetic and mass transfer performance was due to the attraction of the empty d-orbitals of Ru, Co, and Ir, which enhanced electron transmission between the catalyst layer (CL) and gas diffusion layer. Physical analysis revealed that the reductive gaseous products caused Co (Ⅲ) to transform to Co (Ⅱ) and the formation of Co3O4 and RuO2 was well-protected by the Co (II)-rich Co3O4 phase due to its reductivity nature. Additionally, the effusion of gaseous products from the solid phase accelerated pore formation, thereby increasing the specific surface area of the material. © 2024, The Authors. All rights reserved.

关键词： Electrolysis

A framework of the transport model for high-order eddy viscosity tensor in two-dimensional turbulent flow

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arXiv

arXiv 2023年

作者： Zhou, Xingguang Zhang, Dalin Tian, Wenxi Su, Guanghui Qiu, Suizheng State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Shaanxi Xi'An710049 China

Motivated by the concept of eddy viscosity tensor in improved Boussinesq hypothesis, a transport model of high-order eddy viscosity tensor in 2D-3C turbulence structure is derived from the second-order moment model by tensorial analysis. Compared with the previous high-order eddy viscosity tensor mathematical model [1-3] for turbulent flow under special operating conditions, we have obtained a general high-order eddy viscosity tensor transport model, which can show the anisotropy and transport characteristics of Reynolds stress. The transport equation of a high-order eddy viscosity tensor includes the transient term, convection term, production term, diffusion term, positive-definite source term, and dissipation term. In addition, when the components of high-order eddy viscosity tensor are positive or negative, the physical meaning of the source terms is also discussed. Two numerical simulation cases are also interpreted to verify the model. First, we apply the transport model of high-order eddy viscosity to the numerical calculation analysis of two-dimensional straight channel turbulent flow, and the results show that this model can effectively characterize the anisotropy of Reynolds stress. With a combination of analytical and numerical methods, we analyze the flow fields and the components of high-order eddy viscosity tensor to investigate the evolution law of high-order eddy viscosity tensor. The characteristics of the principal components and tensorial invariance of dimensionless Reynolds stress anisotropy tensor of two-dimensional straight channel turbulent flow also have been investigated with the Lumley triangle [4,5]. The results show that this model has a good agreement with the DNS calculation results for the characteristics of dimensionless Reynolds stress anisotropy tensor. Then, we make the numerical investigation for a two-dimensional planar asymmetric diffuser and compare the results with the experiments of Obi *** [6]. The transport model can reso

关键词： Tensors

A Numerical Study on Convective Condensation of Flue Gas in Tubular Heat Exchangers

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SSRN 2023年

作者： Yang, Kaixuan Yang, Jiahui Da, Yaodong Han, Lei Deng, Lei Che, Defu State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power Engineering Xi’an Jiaotong University Xi’an710049 China

Accurate calculation of heat transfer process in condensing heat exchanger plays a crucial role in the waste heat recovery. In this study, the convective-condensation heat transfer process in a condensing heat exchanger with five small heat exchangers is analyzed through utilizing a new numerical simulation model. The method that loads the latent heat of vaporization as heat generation rate is adopted. Under the two working conditions in this study, the deviations of outlet temperature between numerical and experimental results are 1.3 and 2.2 K, respectively, while the deviations of total condensate water flow are 8.5% and 5.5%, respectively. Under the drier working condition, the average temperature reduction per row of tubes in the first small heat exchanger where is no condensation is significantly higher than that in the third small heat exchanger where vapor starts to condense, 5.8 and 2.6 K, separately. It indicates that the release of latent heat of vaporization slows down the cooling rate of the flue gas. In the small heat exchanger where vapor starts to condense, the amount of condensate water on the wall of each row of tubes increases first and then decreases slowly along the flow direction of flue gas. © 2023, The Authors. All rights reserved.

关键词： Heat exchangers

A Numerical Approach for Inlet-Outlet Boundary Conditions with Least-Square Moving Particle Explicit (Lsmpe) Method on Gpu

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SSRN 2024年

作者： Ren, Qianyong Cao, Sheng Wang, Wenpeng Zhang, Bin Shan, Jianqiang Shaanxi Xi’an710049 China State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Shaanxi Xi’an710049 China

The study introduces a method for managing inlet and outlet boundary conditions using the Least-Square moving particle explicit method (LSMPE). A high-precision least squares discrete method was applied to the moving particle explicit method (MPE) based on predictive-corrected pressure. The code was accelerated using OpenACC for parallelization. Special boundary treatments were applied to minimize errors induced by boundaries, including particle number density correction for inlet particles, addressing slip or nonslip boundaries, and introducing concept particles at the outlet. The stability and accuracy of this method were validated through three cases. Simulation results for Poiseuille flow and circular flow demonstrated the method’s good precision, exhibiting stable pressure fields. Results from single-phase flow simulations through a porous medium bed agreed well with predictions from the Ergun equation, highlighting the method’s potential for practical engineering applications © 2024, The Authors. All rights reserved.

关键词： Porous materials