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Comments on Three-point explicit compact difference scheme with arbitrary order of accuracy and its application in CFD

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Applied Mathematics and Mechanics(English Edition) 2009年第5期30卷 669-676页

作者：张红娜宇波王艺魏进家李凤臣 Beijing Key Laboratory of Urban Oil and Gas Distribution Technology China University of Petroleum School of Energy Science and Engineering Harbin Institute of Technology State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University

The explicit compact difference scheme, proposed in Three-point explicit compact difference scheme with arbitrary order of accuracy and its application in CFD by Lin et al., published in Applied Mathematics and Mechanics （English Edition）, 2007, 28（7）, 943-953, has the same performance as the conventional finite difference schemes. It is just another expression of the conventional finite difference schemes. The proposed expression does not have the advantages of a compact difference scheme. Nonetheless, we can more easily obtain and implement compared with the conventional expression in which the coefficients can only be obtained by solving equations, especially for higher accurate schemes.

关键词： explicit compact difference scheme conventional finite difference scheme central difference scheme upwind difference scheme

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The Molecular Dynamics Simulation of Thermal Properties of R290 for Auto-cascade Refrigeration System

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Recent Patents on Mechanical engineering 2023年第5期16卷 345-358页

作者： Feng, Haocheng Liu, Zhenzhen Wang, Zilong Zhang, Hua School of Energy and Power Engineering University of Shanghai for Science and Technology Shanghai200093 China Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering Shanghai200093 China

Background: Hydrocarbons are increasingly being considered as potential fourth-generation refrigerants due to their environmentally-friendly properties. However, accurate prediction and calculation of their thermal properties are essential for their industrial application. Objective: In this study, molecular dynamics simulations were performed to calculate the density, self-diffusion coefficient, viscosity and thermal conductivity of R290 at various operating temperatures of 200-240 K and pressures of 0.15 and 0.20 MPa, and 270-390 K and pressures of 1.5 and 2.0 MPa to veri-fy the feasibility of the methods. Methods: The equilibrium molecular dynamics simulation (EMD) approach was utilised. The soundness of the model and force field were verified by calculating the density of the system during the relaxation phase. In the output stage, the self-diffusion coefficient was calculated using the Einstein relation, while the viscosity and thermal conductivity were calculated using the Green-Kubo method. The simulation results were compared with the NIST data values, and the errors were analysed. Results: The density simulation results for R290 in the relaxation phase yielded an overall average absolute relative deviation (AARD) value of 3.97%. In the output stage, the simulation results for the transport coefficients of R290 showed AARD values of 7.68%, 6.60% and 11.04% for the self-diffusion coeffi-cient, viscosity, and thermal conductivity, respectively, compared to the NIST data values. Conclusion: These results indicate the feasibility of using molecular dynamics simulations to study the transport properties of hydrocarbon refrigerants. The findings also provide a foundation for future research on hydrocarbon refrigerant mixtures. Patent: The research presented in this work could serve as a valuable reference for future patent applications and technological innovations related to hydrocarbon refrigerants, particularly R290. This includes, but is not limited to, delive

关键词： Viscosity

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Numerical simulation on the frosting and heat transfer characteristics of plate-fin heat exchanger considering confinement effect

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Energy Storage and Saving 2022年第3期1卷 136-147页

作者： Xiaoling Yang Xue Liu Xiaojun Dong Yang Meng Yu Hou Tianwei Lai State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an710049China

In refrigerating industry,frost commonly deposits on the confined cold surfaces of heat exchangers,which affects the heat transfer *** the confined flow path of the heat exchanger,the frosting at downstream is affected by the parameters from the *** this study,a numerical model considering the confinement effect has been proposed to predict frosting characteristics in plate-fin heat ***-diffusion equations for humid air and empirical correlations for local frost density are employed in the numerical *** behavior and heat transfer in the confined channel are investigated with different humid air parameters and cold surface *** results indicate that frost thickness in the confined channel is thicker than that in open space under the same inlet *** frost layer is thicker and fluffier along the confined *** addition,the air temperature difference between inlet and outlet of the confined channel enlarges with *** the same average temperature of upper and lower surfaces,the heat and mass transfer of frosting are enhanced with diminishing temperature difference of upper and lower *** such condition,frosting is mainly influenced by the cold surface with the lower temperature.

关键词： Heat exchanger Frosting Confined channel Numerical simulation Heat transfer

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Exergy Analysis of a Novel Chemical Looping Hydrogen Generation System Integrated with SOFC

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Journal of Thermal Science 2021年第1期30卷 313-323页

作者： ZHANG Xiaosong CHEN Zhewen CHEN Zhenbin LI Jinsong Mechanical and Electrical Engineering College Hainan UniversityHaikou 570228China Beijing Key Laboratory of Multiphase Flow and Heat Transfer North China Electric Power UniversityBeijing 102206China

In this paper,a novel system integrating chemical-looping hydrogen generation(CLH)system and solid oxide fuel cell(SOFC)has been *** new methane-fuelled energy system was investigated with energy balance and exergy *** produces the hydrogen as the fuel of the SOFC,and the Fe O and Fe3O4 are selected as the looping *** heat from the SOFC is absorbed by the CLH and converted to chemical energy through the reduction reaction of *** to the cascade utilization of the fuel between the CLH and SOFC,the net efficiency of this novel system can achieve 62.8%considering CO_(2)separation,more than 10 percentage points higher than a methane reforming fuelled SOFC ***,by using the CLH to produce the hydrogen,the CO_(2)can be recovered without an energy *** the analysis of the graphical exergy,the cascade utilization of waste heat and the high-efficiency hydrogen production is the main reason of high *** novel system also has the advantage of CO_(2)capture without energy penalty,so this combined system is an advantaged method to accomplish the efficient utilization of methane.

关键词： chemical looping fuel cell exergy analysis

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Experimental and Theoretical Study on CHF of a Ultra-Supercritical Circulating Fluidized Bed Boiler Water-Wall Tube at near-Critical Pressures

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Journal of Thermal Science 2023年第1期32卷 166-182页

作者： WANG Wenyu MA Zhan QING Hao NIE Chao YANG Haoyu BI Lingfeng YANG Dong PAN Wenxiao State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an 710049China Department of Mechanical Engineering University of Wisconsin-Madison1513 University AveMadisonWI 53706USA

The experimental and theoretical research on the critical heat flux(CHF)in a uniformly heated water-wall tube of the efficient ultra-supercritical circulating fluidized bed(USCFB)boiler has been *** particular,the experimental pressure varies from 18 MPa to 21 MPa,which is from 0.814Pcr–0.95Pcr(Pcr:critical pressure).The mass flux varies from 310 kg·m^(–2)·s^(–1)to 550 kg·m^(–2)·s^(–1).The inlet sub-cooling temperatures vary from 5°C to 10°*** material of the tube is *** experimental investigation,the near critical pressure CHF test data of water are *** find that the CHF mainly occurs when the vapor qualities are less than 0.4,and it occurs earlier(at lower vapor quality)when the pressure is closer to 22.115 MPa or the mass flux is *** the experimental data,a correlation function for the CHF is established via regression and machine *** established via machine learning greatly improved the regression *** study the CHF phenomenon mechanically,a theoretical model is established based on the near-surface bubble crowding model describing the DNB-type *** the development of the CHF model,the friction resistance coefficient is determined according to our test *** comparison with different experimental results,the near-surface bubble crowding model is well suited to describe DNB-type *** calculation results of the model can provide reference for the optimal design of the USCFB boiler.

关键词： circulating fluidized bed critical heat flux near-critical pressure bubble crowding machine learning

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Numerical prediction of spatio-temporal frosting patterns of curved surface considering varying working parameters

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Energy Storage and Saving 2023年第1期2卷 348-358页

作者： Xue Liu Xiaojun Dong Shaohang Yan Yu Hou Tianwei Lai State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an710049China

Accurate numerical prediction of frosting patterns is essential for the efficient layout and timing defrosting of heat exchangers under frosting *** this study,a numerical model is developed to predict the spatio-temporal frosting habits on curved surfaces in combination with the correlations of frost density and thermal *** the model,frost melting is *** verification,the frosting and heat transfer characteristics along the flow path are investigated under various structural and operating *** thickness along the path is mainly affected by the cooling surface temperature,while the heat and mass transfer rates are strongly correlated with the humidity *** proportions of latent heat and sensible heat are distributed more unevenly in parallel flow case than in counter flow *** deposition is facilitated by a smaller radius of curvature of the cooling *** uniform frosting characteristics along the path and smaller heat transfer obstruction are presented with a smaller length-to-height ratio of the flow path.

关键词： Frosting Numerical prediction Heat transfer Curved surface Varying parameter

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Temporal and spatial non-uniformity of surface heat transfer during r404a spray cooling in laser surgery 13

Temporal and spatial non-uniformity of surface heat transfer...

引用

13th International Conference on Liquid Atomization and Spray Systems, ICLASS 2015

作者： Wang, R. Zhou, Z.F. Chen, B. Bai, F.L. Wang, G.X. State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University China

Cryogen spray cooling has been applied to protect epidermis from thermal damage in laser dermatology. However, present cryogen R134a shows insufficient cooling capacity on minimizing the laser energy absorption by the melanin in darkly pigmented human skins. With lower boiling point, R404A has potential to improve the cooling capacity. This paper presents an experimental study on the temporal and spatial variation in surface temperature and heat flux during spray cooling using R404A by a straight tube nozzle with expansion chamber, which significantly improves the atomization effect. The experimental results indicate that the temporal and spatial conditions strongly influence the uniformity of surface heat transfer. There exists a sub-region of uniform cooling with radius of 2 mm around spray center with high transient heat flux above 400 kW/m2, which is conducive for physicians to control the therapy area precisely with enhanced laser energy. © 2015 International Conference on Liquid Atomization and Spray Systems. All rights reserved.

关键词： Laser surgery

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Alloy nanocrystals:Synthesis paradigms and implications

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Chinese Journal of Structural Chemistry 2023年第11期42卷 1-5页

作者： Zhaojun Liu Zerui Mu Chuanbo Gao State Key Laboratory of Multiphase Flow in Power Engineering Frontier Institute of Science and TechnologyXi'an Jiaotong UniversityXi'an710054China

*** Noble metal nanocrystals serve as exceptional catalysts across a wide spectrum of industrial processes[1].Moreover,there exists a substantial demand for noble metal catalysts in emerging clean-energy applications,such as water-splitting hydrogen production and fuel *** non-noble transition metals or main-group metals into noble metal nanocrystals can reduce the weight of noble metals in the catalysts,thus remarkably lowering the ***,alloy nanocrystals offer intriguing catalytic properties that surpass those of their monometallic counterparts,thanks to the charge transfer between the constituent components and the expansion or shrinkage of the lattice size[2].

关键词： alloy metals noble

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An active learning workflow for predicting hydrogen atom adsorption energies on binary oxides based on local electronic transfer features

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Green Energy & Environment 2024年第10期9卷 1489-1496页

作者： Wenhao Jing Zihao Jiao Mengmeng Song Ya Liu Liejin Guo International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityShaanxi710049Xi'anChina Department of Energy and Power Engineering Shandong University of TechnologyZibo255000ShandongChina

Machine learning combined with density functional theory(DFT)enables rapid exploration of catalyst descriptors space such as adsorption energy,facilitating rapid and effective catalyst ***,there is still a lack of models for predicting adsorption energies on oxides,due to the complexity of elemental species and the ambiguous coordination *** work proposes an active learning workflow(LeNN)founded on local electronic transfer features(e)and the principle of coordinate rotation *** accurately characterizing the electron transfer to adsorption site atoms and their surrounding geometric structures,LeNN mitigates abrupt feature changes due to different element types and clarifies coordination *** a result,it enables the prediction of^(*)H adsorption energy on binary oxide surfaces with a mean absolute error(MAE)below 0.18 ***,we incorporate local coverage(θ_(l))and leverage neutral network ensemble to establish an active learning workflow,attaining a prediction MAE below 0.2 eV for 5419 multi-^(*)H adsorption *** findings validate the universality and capability of the proposed features in predicting^(*)H adsorption energy on binary oxide surfaces.

关键词： Machine learning Adsorption energy Binary oxide Electron transfer Active learning

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One-step preparation of efficient cuprous chloride catalyst for direct synthesis of trimethoxysilane

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Chinese Journal of Chemical engineering 2024年第7期71卷 161-171页

作者： Jiaxin Zhang Lu Wang Zhiqiang Ma Chuanjun Di Guanghui Chen Jipeng Dong Jianlong Li Fei Gao Key Laboratory of Multiphase Flow Reaction and Separation Engineering of Shandong Province College of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042China

CuCl-based catalysts are the most commonly used catalysts for the“direct synthesis”of trimethoxysilane(M3).CuCl species are sensitive to air and water,and are prone to oxidation *** CuCl is directly used as a catalyst,it needs to be purified before the utilization,and the operating conditions for the catalyst preparation are relatively harsh,requiring the inert gas *** a high-temperature activation step required for CuCl-based catalysts used for catalyzing synthesis of M3 to form active phase Cu–Si alloys(Cu_(x)Si)with Si powder,in this work,a series of catalysts for the“direct synthesis”of M3 were obtained by a one-step high-temperature activation of the mixture of stable CuCl_(2) precursors,activated carbon-reducing agent,and Si powder,simultaneously achieving the reduction of CuCl_(2) to CuCl and the formation of active phase Cu_(x)Si alloys of CuCl with Si *** prepared samples were characterized through various characterization techniques,and investigated for the catalytic performance for the“direct synthesis”of ***,the operation conditions were optimized,including the activation temperature,catalyst dosage,Si powder particle size,and reaction *** characterization results indicate that during the one-step activation process,the CuCl_(2) precursor is reduced to CuCl,and the resulting CuCl simultaneously reacts with Si powder to form active phases Cu3Si and Cu15Si4 *** optimal catalyst Sacm(250,0.8:10)exhibits a good catalytic activity with selectivity of 95%and yield of 77%for M3,and shows a good universality for various alcohol ***,the catalytic mechanism of the prepared catalyst for the“direct synthesis”of M3 was discussed.

关键词： Trimethoxysilane Cuprous chloride Catalysis Catalyst activation Reduction Active phase formation

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