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A Modified Nonlocal Continuum Electrostatic Model for Protein in Water and Its Analytical Solutions for Ionic Born Models 被引量:1
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作者 Dexuan Xie Hans W.Volkmer 《Communications in Computational Physics》 SCIE 2013年第1期174-194,共21页
A nonlocal continuum electrostatic model,defined as integro-differential equations,can significantly improve the classic Poisson dielectric model,but is too costly to be applied to large protein simulations.To sharply... A nonlocal continuum electrostatic model,defined as integro-differential equations,can significantly improve the classic Poisson dielectric model,but is too costly to be applied to large protein simulations.To sharply reduce the model’s complexity,a modified nonlocal continuum electrostatic model is presented in this paper for a protein immersed in water solvent,and then transformed equivalently as a system of partial differential equations.By using this new differential equation system,analytical solutions are derived for three different nonlocal ionic Born models,where a monoatomic ion is treated as a dielectric continuum ball with point charge either in the center or uniformly distributed on the surface of the ball.These solutions are analytically verified to satisfy the original integro-differential equations,thereby,validating the new differential equation system. 展开更多
关键词 Nonlocal continuum electrostatic models Poisson dielectric equations protein-water interface problem nonlocal ionic Born models
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Structure and Properties of Hydrotalcite Using Electrostatic Potential Energy Model 被引量:4
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作者 Zhe-ming Ni Guo-xiang Pan +3 位作者 Li-geng Wang Wei-hua Yu Cai-ping Fang Dan Li 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2006年第3期277-280,共4页
The electrostatic potential energy model of hydrotalcites was based on the theory of crystallography. The anionic potential energy of MgAl-hydrotalcites, with 20 layers and 2107 anions per layer, was calculated, and t... The electrostatic potential energy model of hydrotalcites was based on the theory of crystallography. The anionic potential energy of MgAl-hydrotalcites, with 20 layers and 2107 anions per layer, was calculated, and the anionic stability of the hydrotalcites was investigated. The charge density of the layer and the distance between the adjacent anions varied with the molar ratio of Al^3+/(Mg^2+ + Al^3+). Anionic potential energy depended on the charge and size of the anions. Calculation results remained consistent with thermal stability and the ion exchange ability reported. This model is able to predict anionic stability of the hydrotalcites. 展开更多
关键词 HYDROTALCITE electrostatic potential energy model Thermal stability Ion exchange
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Modeling the electrostatic effect on the hydrodynamic behavior in FCC risers: From understanding to application
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作者 Guoqiang Chen Qinglin Su Zhenghong LUO 《Particuology》 SCIE EI CAS CSCD 2016年第2期122-132,共11页
A CFD simulation was proposed to investigate the electrostatic effect on the hydrodynamic behavior of turbulent gas-solid flow in FCC risers. The simulation was first verified using the open experimental data with exp... A CFD simulation was proposed to investigate the electrostatic effect on the hydrodynamic behavior of turbulent gas-solid flow in FCC risers. The simulation was first verified using the open experimental data with expected electrostatic effects observed in FCC risers. The influences of several operating parameters on the degree of electrification in FCC risers were analyzed, such as surface charge densities, pressure, gas velocity. It was noted that the gas velocity played a highly significant role compared with solid flux, while the effect of pressure was relatively weak. Further analysis showed that a much stronger electrostatic effect was found in small-scale FCC risers than their large-scale counterparts, and in addition, the major regions affected by the electrostatic charge depend on the scale of the riser. Finally, an external electric field was applied to optimize the flow field distribution in the FCC riser. The results of the electrostatic effects on the hydrodynamic behaviors in FCC risers are of great use in providing a reference for the optimization of FCC risers and their scaling. 展开更多
关键词 Multiphase flow Mathematical modeling Hydrodynamics FCC riser electrostatic effect
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Effect of particle degradation on electrostatic sensor measurements and flow characteristics in dilute pneumatic conveying 被引量:3
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作者 Wei Chen Jianyong Zhang +4 位作者 Timothy Donohua Kenneth Williams Ruixue Cheng Mark Jones Bin Zhou 《Particuology》 SCIE EI CAS CSCD 2017年第4期73-79,共7页
Vigorous particle collisions and mechanical processes occurring during high-velocity pneumatic con- veying often lead to particle degradation. The resulting particle size reduction and particle number increase will im... Vigorous particle collisions and mechanical processes occurring during high-velocity pneumatic con- veying often lead to particle degradation. The resulting particle size reduction and particle number increase will impact on the flow characteristics, and subsequently affect the electrostatic type of flow measurements. This study investigates this phenomenon using both experimental and numerical meth- ods. Particle degradation was induced experimentally by recursively conveying the fillite material within a pneumatic pipeline. The associated particle size reduction was monitored. Three electrostatic sensors were embedded along the pipeline to monitor the flow. The results indicated a decreasing trend in the electrostatic sensor outputs with decreasing particle size, which suggested the attenuation of the flow velocity fluctuation. This trend was more apparent at higher conveying velocities, which suggested that more severe particle degradation occurred under these conditions. Coupled computational fluid dynamics and discrete element methods (CFD-DEM) analysis was used to qualitatively validate these experimental results. The numerical results suggested that smaller particles exhibited lower flow velocity fluctua- tions, which was consistent with the observed experimental results. These findings provide important information for the accurate aoolication of electrostatic measurement devices in oneumatic conveyors. 展开更多
关键词 Particle degradation Flow velocity fluctuation electrostatic sensor CFD-DEM modelling Pneumatic conveying
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The abnormal electrostatic discharge of a no-connect metal cover in a ceramic packaging device
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作者 李松 曾传滨 +1 位作者 罗家俊 韩郑生 《Journal of Semiconductors》 EI CAS CSCD 2013年第8期74-78,共5页
The human body model(HBM) stress of a no-connect metal cover is tested to obtain the characteristics of abnormal electrostatic discharge,including current waveforms and peak current under varied stress voltage and d... The human body model(HBM) stress of a no-connect metal cover is tested to obtain the characteristics of abnormal electrostatic discharge,including current waveforms and peak current under varied stress voltage and device failure voltage.A new discharge model called the "sparkover-induced model" is proposed based on the results.Then,failure mechanism analysis and model simulation are performed to prove that the transient peak current caused by a sparkover of low arc impedance will result in the devices' premature damage when the potential difference between the no-connect metal cover and the chip exceeds the threshold voltage of sparkover. 展开更多
关键词 electrostatic discharge human body model no-connect metal cover sparkover
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