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Insight into the interaction between water and surfactant aerosol particles based on molecular dynamics simulations

Particuology 2023年第6期77卷 128-135页

作者： Chao Zhang Zhichao Zhang Longxiang Bu Yang Yang Wei Xiong Yueshe Wang School of Energy and Power Engineering University of Shanghai for Science and TechnologyShanghai200093China Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering University of Shanghai for Science and TechnologyShanghai200093China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an710049China

The ubiquitous surfactant significantly influences the hygroscopic growth of atmospheric aerosol ***,knowledge on the morphology of surfactant particles after the adsorption of water is *** this study,the interaction between water and particles composed of surface active malonic acid(MA)or adipic acid(AA)are simulated based on the molecular dynamics *** key point is the combined effect of temperature and water content on the structural properties of particles and the surface propensity of surfactants at the equilibrium *** show that demixed structure 1 with the adsorption of water clusters on acid grain,mixed structure and demixed structure 2 with acids coating on water droplet can be *** temperature increasing from 160 K to 330 K the surface propensity of MA and AA increases first and then *** the standard atmospheric temperature(280-330 K),the surface propensity of MA and AA increases with increasing water content and alkyl group,and its sensitivity to temperature and water content varies ***,all surfactants at the particle surface orient their hydrophobic groups toward the *** findings improve our insight into the surfactant partitioning and further assist in more accurate prediction of the particle hygroscopic growth.

关键词： Aerosol particles Surfactant Surface propensity Hygroscopic growth Molecular dynamics

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Numerical and experimental research of the characteristics of concentration solar cells

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Frontiers in Energy 2021年第2期15卷 279-291页

作者： Zilong WANG Hua ZHANG Binlin DOU Weidong WU Guanhua ZHANG Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering School of Energy and Power EngineeringUniversity of Shanghai for Science and TechnologyShanghai 200093China

The development of automatic tracking solar concentrator photovoltaic systems is currently attracting growing *** concentration photovoltaic systems(HCPVs)combining triple-junction InGaP/lnGaAs/Ge solar cells with a concentrator provide high conversion *** mathematical model for triple-junction solar cells,having a higher efficiency and superior temperature characteristics,was established based on the one-diode equivalent circuit cell model.A paraboloidal concentrator with a secondary optic system and a concentration ratio in the range of 100X–150X along with a sun tracking system was developed in this *** GaInP/GalnAs/Ge triple-junction solar cell,produced by AZUR SPACE Solar power,was also used in this *** solar cells produced by Shanghai Solar Youth Energy(SY)and Shenzhen Yinshengsheng Technology ***.(YXS)were used as comparison samples in a further comparative study at different concentration ratios(200X–1000X).A detailed analysis on the factors that influence the electrical output characteristics of the InGaP/lnGaAs/Ge solar cell was conducted with a dish-style concentrating photovoltaic *** results show that the short-circuit current(Isc)and the open-circuit voltage(Voc)of multi-junction solar cells increases with the increasing concentration ratio,while the cell efficiency(ηc)of the solar cells increases first and then decreases with increasing concentration *** increasing solar cell temperature,Isc increases,while Voc andηc decrease.A comparison of the experimental and simulation results indicate that the maximum root mean square error is less than 10%,which provides a certain theoretical basis for the study of the characteristics of triple-junction solar cell that can be applied in the analysis and discussion regarding the influence of the relevant parameters on the performance of high concentration photovoltaic systems.

关键词： concentration three-junction solar cell mathematical model electrical properties solar energy

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Rapid modeling of transient processes in hydrogen-blended natural gas pipelines featuring injection and withdrawal points

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International Journal of Hydrogen Energy 2025年

作者： Gong, Junhua Zhou, Chaoqun Wang, Yanxin Deng, Yajun Chen, Yujie Wang, Peng Yu, Bo Chen, Bin Yu, Zhipeng Wang, Bohong School of Mechanical Engineering Beijing Institute of Petrochemical Technology Beijing102617 China Changqing Oil and Gas Transportation Branch of Northwest Company of PipeChina Xingqing District Ningxia Yinchuan City750004 China PipeChina Engineering Technology Innovation Co.Ltd Tianjin300450 China School of Petroleum Engineering Yangtze University Wuhan430100 China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an710049 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 Zhoushan316022 China

Blending hydrogen into natural gas pipelines enables the large-scale delivery and application of hydrogen, contributing to carbon emission reduction and promoting the transition to cleaner energy sources. Accurate and efficient predictions of transient processes in such pipelines are critical for effective management and operation. This study proposes a Fourier Neural Operator (FNO)-based model for the rapid prediction of transient processes in hydrogen-blended pipelines with injection and withdrawal points. The model is trained using numerical simulation data of pressure and flow dynamics, with initial conditions, boundary conditions, and the hydrogen blending ratio as inputs to predict hydraulic parameters along the pipeline over time. By optimizing data preprocessing and neural network hyperparameters, the model achieves high accuracy and efficiency in predicting hydraulic states. The FNO model achieves average Root Mean Squared Errors (RMSEs) of 1.06 × 10−3, 1.64 × 10−3, and 7.40 × 10−4 for pressure, flow rate, and density, respectively, with the Coefficient of Determination (R2) exceeding 0.99 for all three variables. Furthermore, the model demonstrates strong generalization capabilities, accurately predicting hydraulic states for pipeline topologies and scenarios beyond the training data. In these cases, the RMSE remains in the order of 10−3 or smaller. For a 100 km pipeline, the computational efficiency of the FNO model is at least 969 times higher than that of traditional numerical methods, with the maximum efficiency improvement reaching 5168 times as the number of pipeline cases simultaneously predicted increases. These results highlight the potential of the FNO model for real-time applications in hydrogen-blended natural gas pipeline management. © 2025 Hydrogen Energy Publications LLC

关键词： Mean square error

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Simulation of flow across complicated domain between tube bundles by the discrete vortex method

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自然科学进展(英文版) 2003年第3期13卷 213-218页

作者： CHEN Bin Guo Liejin Yang Xiaogang State Key Laboratory of Multiphase Flow in Power Engineering Xi'an J iaotong University Xi'an 710049 China

On the basis of the analysis of numerical simulation methods for the complicated domain between tube bundles, an improved Lagragian discrete vortex method (DVM) and corresponding algorithm are put forward to solve the practical difficulties of flow across tube bundles. With this method the amount of vortices can be reduced considerably, which makes quick calculation possible. Applied to the practical configuration of horizontal tube bundles, the DVM simulation is carried out and compared with the experimental results. Both the transient flow field and the profile of mean velocity and fluctuations are in good agreement with experimental results, which indicate that the DVM is suitable for the simulation of single-phase flow across tube bundles.

关键词： tube bundles discrete vortex method numerical simulation

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Morphology Structure Evolution and Combustion Reactivity of Bituminous Char at Around Ash Melting Temperature

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Journal of Thermal Science 2022年第6期31卷 2189-2202页

作者： ZHANG Yandi YANG Huan WANG Bo HMShahzaib KHAN DUAN Xiaoli LIU Yinhe State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi'an Jiaotong UniversityXi'an 710049China

In slag tapping furnaces, char particles undergo a series of complex structural evolution before and after being captured by the liquid slag layer. The evolution results affect the carbon conversion rate and are affected by temperature fluctuations, especially in the ash melting temperature zone. Experimental study on structure evolution of bituminous char prepared at around ash melting temperature was carried out on a fixed bed. The morphology, specific surface area and mineral chemical composition were measured at different temperatures. Experimental results show that the number density and the size of ash droplets exuded on the char surface increased significantly with the increasing temperature. The ash specific surface area from gasification was slightly greater than that from combustion. The residual content of chloride in the char become 1% and the contents of Fe, K, Mg and Na decrease significantly during the pyrolysis process across the ash melting temperature zone. The diffraction intensity of oldhamite increase which indicates the reaction of carbon substrate with minerals during the evolution;the diffraction intensity of quartz dramatically decreases for the reason of anorthite generation. The ignition and burnout temperatures of char were found to increase and the combustion stability decreased with the increasing pyrolysis temperature.

关键词： coal char structure evolution carbothermal reaction combustion

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Wall-to-bed heat transfer in supercritical water fluidized bed using CFD-DEM

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Particuology 2021年第3期19卷 113-123页

作者： Tianning Zhang Youjun Lu State Key Laboratory of Multiphase Flow in Power Engineering(SKLMFPE) Xi’an Jiaotong UniversityXi’anShaanxi 710049PR China

Supercritical water fluidized bed(SCWFB)reactors are designed to gasify biomass or coal with high *** this paper,the wall-to-bed heat transfer characteristics in SCWFB are studied using the computational fluid dynamics and discrete element method(CFD-DEM)coupled with a constant heat flux *** different methods are considered to deal with the multiphase heat flux boundary in CFD-DEM because there is currently no single widely accepted ***’s method predicts a more accurate wall-to-bed heat transfer coefficient in SCWFB than Lattanzi’s method according to comparisons of the simulation results with an empirical *** influences of temperature,pressure,velocity,and the solid phase properties,such as the particle diameter,particle heat capacity,particle thermal conductivity,and particle density,on the SCWFB wall-to-bed heat transfer characteristics are studied based on Zhang’s *** simulation results help reveal the SCWFB heat transfer characteristics.

关键词： Supercritical water Fluidized bed Heat transfer DEM-CFD Constant heat flux

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Detachment Size Measurement of Two Interacting Bubble Plumes Formed at Neighboring Needles Using an Acoustic Method

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Chinese Journal of Chemical engineering 1999年第2期7卷 145-153页

作者：向宇孙科霞郭烈锦陈学俊 National Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China

Detachment size determination with an acoustic method has been carried out for two interacting bubble plumes formed at neighboring needles in quiescent water. Two sets of needle pairs, one with 1.5mm and 0.8mm inner diameters and the other with the equal 1.5mm inner diameters, were separately used as the bubble pair injectors in the experiments. Consequently, four typical patterns of bubble plumes interaction could be observed in the two cases of needle pair matches. Through measuring the pressure pulses radiated by the bubble pairs immediately after their 'pinching-off ' and by making use of a sophisticated relation between oscillation frequency of volume mode and radius of gas bubble, the detachment size of the bubble plumes have been determined from the amplitude/frequency spectrum of the sound pressure pulses. The experimental results demonstrate that the acoustical method is valid in both of the interacting and non-interacting circumstances in bubble field and the bubble size measurements by this acoustical method agree well with the measurements from photographic analysis. Finally, a comparison has been made on the strong and weak points of the acoustical method with the other size determination methods.

关键词： detachment size determination sound pressure pulses acoustical method bubble interaction bubble plumes

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Extension of the pressure correction method to zero-Mach number compressible flows

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Science China(Technological Sciences) 2009年第6期52卷 1583-1595页

作者： HE YaLing HUANG Jing TAO YuBing TAO WenQuan State Key Laboratory of Multiphase Flow in Power Engineering School of Energy&Power EngineeringXi’an Jiaotong UniversityXi’an 710049China

In the present paper,the classical pressure correction method was extended into low Mach number compressible flow regime by integrating equation of state into SIMPLE *** self-developed code based on this algorithm was applied to predicting the lid-driven cavity flow and shock tube prob-lems,and the results showed good agreement with benchmark solutions and the Mach number can reach the magnitude of as low as *** attenuation of sound waves in viscous medium was then *** results agree well with the analytical solutions given by theoretical *** demonstrated that the present method could also be implemented in acoustics field simulation,which is crucial for thermoacoustic simulation.

关键词： thermoacoustic engine pressure correction method low Mach number compressible flow

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Numerical simulation of flow characteristics for a labyrinth passage in a pressure valve

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Journal of Hydrodynamics 2016年第4期28卷 629-636页

作者：王海民赵越汪建兴孔祥帅刘欢李科良王喜芳 School of Energy and Power Engineering University of Shanghai for Science and Technology Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering University of Shanghai for Science and Technology

A tortuous labyrinth passage consists of a series of right angle turns in a disk of high pressure control *** this paper,numerical simulations are made for the velocity and pressure distributions in this *** is shown that the “series passage” can induce a pressure dropping more *** main function of the “series passage” is to induce a pressure dropping while the “parallel passage” is mainly to regulate the *** a cross sectional area process,a series of reduction and expansion,the pressure will also see dropping and partial recovery,which is called the multistage pressure *** this way,the velocity can be controlled in a reasonable level anywhere in this tortuous labyrinth *** the fluid pressure dropping in a downwards serrated way,the pressure is higher than the local saturate vapor pressure,therefore,no cavitation is induced by the phase transition.

关键词： passage valve dropping multistage turns sectional anywhere regulate vortex inlet

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Ferrites boosting photocatalytic hydrogen evolution over graphitic carbon nitride: a case study of(Co, Ni)Fe_2O_4 modification

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Science Bulletin 2016年第4期61卷 292-301页

作者： Jie Chen Daming Zhao Zhidan Diao Miao Wang Shaohua Shen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University

The charge cartier separation and surface catalytic redox reactions are of primary importance as elementary steps in photocatalytic hydrogen evolution. In this study, both of these two processes in photocatalytic hydrogen evolution over graphitic carbon nitride （g-C3N4） were greatly promoted with the earth-abundant ferrites （Co, Ni）Fe2O4 modification. CoFe2O4 was further demonstrated to be a better modifier for g-C3N4 as compared to NiFe2O4, due to the more efficient charge carrier transfer as well as superior surface oxidative catalytic activity. When together loading CoFe2O4 and reductive hydrogen production electrocatalyst Pt onto g-C3N4, the obtained Pt/g-C3N4/CoFe2O4 photocatalyst achieved visible-light （2 〉 420 nm） hydrogen production rate 3.5 times as high as Pt/g-C3N4, with the apparent quantum yield reaching 3.35 % at 420 nm.

关键词： Graphitic carbon nitride FerritesPhotocatalytic water splitting Solar hydrogenconversion

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