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Deep Potential Molecular Dynamics Systematic Study of Microstructure and Thermophysical Properties of NaCl-CaCl2 Molten Salt System across Phase Transition Temperature

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Journal of Thermal Science 2024年第6期33卷 2245-2258页

作者： Gegentana CUI Liu ZHOU Leping DU Xiaoze School of Energy Power and Mechanical EngineeringNorth China Electric Power University Key Laboratory of Power Station Energy Transfer Conversion and System(North China Electric Power University) Ministry of Education

Understanding the microscopic ionic structure and thermal properties of the NaCl-CaCl2mixture is of great importance for improving its photothermal energy conversion ***,the measured values of thermophysical parameters are affected by the processes near the phase transition temperature,and the measured values often change *** and first-principles molecular dynamics studies have recently been performed to determine the thermal properties of molten salts,but such simulations for binary molten salts including NaCl-CaCl2are still rare and limited to a range above the phase transition temperature（786.0 K）,and the deviations from the measurements are still *** this study,the molecular dynamics method based on the trained deep potential is used to systematically predict the variations of the ionic structure,phonon density of state,density and thermophysical properties including heat capacity,thermal conductivity,and diffusivity,and Prandtl number of the binary chloride system of NaCl-CaCl2in a wide temperature range（600-1000 K） above the phase transition *** variations and correlations of the properties（especially thermal diffusivity and Prandtl number） with temperature are *** is found that an increase in temperature enhances ionic vibration,thus increasing the specific heat *** increase in temperature weakens the interaction and vibrational transfer between ions,and hence the thermal conductivity tends to *** the temperature increases,the heat capacity increases,while the density,thermal conductivity,thermal diffusion coefficient,and Prandtl number of the system all *** general,the properties obtained by applying the deep potential trained in this work reflect the experimental values more accurately than the classical and first-principles molecular dynamics simulations.

关键词： chloride molten salt deep potential molecular dynamics simulation transport characteristics

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transport Patterns and Potential Sources of Atmospheric Pollution during the ⅩⅩⅣ Olympic Winter Games Period

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Advances in Atmospheric Sciences 2022年第10期39卷 1608-1622,I0002-I0004页

作者： Yuting ZHANG Xiaole PAN Yu TIAN Hang LIU Xueshun CHEN Baozhu GE Zhe WANG Xiao TANG Shandong LEI Weijie YAO Yuanzhe REN Yongli TIAN Jie LI Pingqing FU Jinyuan XIN Yele SUN Junji CAO Zifa WANG State Key Laboratory of Atmospheric Boundary Layer Physics and Atmospheric Chemistry Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China College of Earth and Planetary Sciences University of Chinese Academy of SciencesBeijing 100049China Center for Excellence in Regional Atmospheric Environment Institute of Urban EnvironmentChinese Academy of SciencesXiamen 361021China Inner Mongolia Autonomous Region environmental monitoring central station Hohhot 010090China Institute of Surface-Earth System Science Tianjin UniversityTianjin 300072China Collaborative Innovation Center on Forecast and Evaluation of Meteorological Disasters Nanjing University of Information Science and TechnologyNanjing 210044China Institute of Atmospheric Physics Chinese Academy of SciencesBeijing 100029China

The attainment of suitable ambient air quality standards is a matter of great concern for successfully hosting the ⅩⅩⅣ Olympic Winter Games(OWG). transport patterns and potential sources of pollutants in Zhangjiakou(ZJK) were investigated using pollutant monitoring datasets and a dispersion model. The PM_(2.5) concentration during February in ZJK has increased slightly(28%) from 2018 to 2021, mostly owing to the shift of main potential source regions of west-central Inner Mongolia and Mongolian areas(2015–18) to the North China Plain and northern Shanxi Province(NCPS) after *** CO as an indicator, the relative contributions of the different regions to the receptor site(ZJK) were evaluated based on the source-receptor-relationship method(SRR) and an emission inventory. We found that the relative contribution of pollutants from NCPS increased from 33% to 68% during 2019–21. Central Inner Mongolia(CIM) also has an important impact on ZJK under unfavorable weather conditions. This study demonstrated that the effect of pollution control measures in the NCPS and CIM should be strengthened to ensure that the air quality meets the standard during the ⅩⅩⅣ OWG.

关键词： Olympic Winter Games FLEXPART transport characteristics atmospheric pollution sources

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transport EFFICIENCY OF THE SPIRAL FLOW IN CIRCULAR PIPE

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Journal of Hydrodynamics 2001年第4期13卷 119-122页

作者： Peng Long-sheng, Lu Zhun-wei Taiyuan University of Technology, Taiyuan 030024, China Taiyuan University of Technology

A concise definition of transport Efficiency (TE) was given to examine the amount of transported grains in the pipe flow with certain energy consumption. The transport characteristics and the so-called 'roto-floating' characteristics were studied from the tests of sediment transport in the normal pipe flow and the spiral pipe flow, and hereby the energy gradients of the two kinds of pipe flows were obtained. By comparing the mean concentrations at the same gradient, it was concluded that the TE of the latter is several times to over ten times higher than that of the former, and the lift of the latter is 200 times larger than that of the former for the nearly same TE. The spiral flow in circular pipe is suitable for transporting fine grains of high concentration, and with sedimentation trend and coarse grains.

关键词： spiral flow in circular pipe transport efficiency transport characteristics roto-floationg characteristics lift energy gradient

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Comparison between the Causes and Transmission characteristics of Two Sand and Dust Weather Processes with Heavy Pollution in Ulanqab City

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Meteorological and Environmental Research 2022年第4期13卷 31-36页

作者： Nan ZHAO Yan HUANG Shiyun LIU Dan ZHANG Biyun LI Ulanqab Meteorological Bureau Ulanqab 012000China

The actual situation of two sand and dust weather processes with heavy pollution in Ulanqab City in 2021 was analyzed from the aspects of air quality,visibility,PM_(2.5)and PM_(10),and the causes of the sand and dust weather with heavy pollution were *** differences between the two processes in transport characteristics of sand and dust were studied,and the roles of high-and low-altitude weather systems and their impact on sand and dust transport were explored.

关键词： Sand and dust weather Heavy pollution Causes transport characteristics

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