This paper presents a theoretical method for predicting the effective diffusion coefficient of macromolecules in the microporous membrfines in view of the effects of molecular dimension and configuration. On the basi...This paper presents a theoretical method for predicting the effective diffusion coefficient of macromolecules in the microporous membrfines in view of the effects of molecular dimension and configuration. On the basis of the hindered diffusion theory of spherical neutral macromolecules in a micropore of a long cylinder, the effects of molecular dimension and configuration are studied by defining two molecular dimensions:the mean projected radius to predict the concentration partition and the ' hydrodynamically equivalent sphere' radius to evaluate the hydrodynamic reverse drag force. The quantitative comparison shows that the effective diffusion coefficients for different macromolecules predicted by the present method are more consistent with the available published experimental data.展开更多
Based on the bulk free energy density and the degenerate mobility constructed by the quartic double-well potential function,a phase field model is established to simulate the evolution of intragranular microvoids due ...Based on the bulk free energy density and the degenerate mobility constructed by the quartic double-well potential function,a phase field model is established to simulate the evolution of intragranular microvoids due to surface diffusion in a stress field.The corresponding phase field governing equations are derived.The evolution of elliptical microvoids with different stressesΛ,aspect ratiosβand linewidths hˉis calculated using the mesh adaptation finite element method and the reliability of the procedure is verified.The results show that there exist critical values of the stressΛc,the aspect ratioβc and the linewidth hˉc of intragranular microvoids under equivalent biaxial tensile stress.When Λ≥Λ_(c),β≥β_(c) or h≤h_(c),the elliptical microvoids are instable with an extending crack tip.WhenΛ<Λ_(c),β<β_(c) or hˉ>h_(c),the elliptical microvoids gradually cylindricalize and remain a stable shape.The instability time decreases with increasing the stress or the aspect ratio,while increases with increasing the linewidth.In addition,for the interconnects containing two elliptical voids not far apart,the stress will promote the merging of the voids.展开更多
The general behavior of micron-particles in the inner domain of porous ceramic vessel was simulated by computational fluid dynamics software in terms of sampling experimental data.The results show that there is an opt...The general behavior of micron-particles in the inner domain of porous ceramic vessel was simulated by computational fluid dynamics software in terms of sampling experimental data.The results show that there is an optimum porosity of 0.32 to get a higher efficiency and lower pressure drop during filtration.According to the results of simulation and experiment,it is evident that lower inlet velocity can maintain lower pressure drop and obtain higher collection efficiency and inlet concentration also has a crucial influence on the collection efficiency.The collection efficiency of equipment increases significantly with the increase of inlet concentration when the inlet concentration is less than 6.3 g/m3,but it gradually tends to be stable in the range of 97.3%-99.7%when the inlet concentration is over this concentration.展开更多
Both the grand canonical Monte Carlo and molecular dynamics simulation methods are used to investigate the adsorption and diffusion of carbon dioxide confined in a 1.86 nm slit carbon pore at 4 temperatures from subcr...Both the grand canonical Monte Carlo and molecular dynamics simulation methods are used to investigate the adsorption and diffusion of carbon dioxide confined in a 1.86 nm slit carbon pore at 4 temperatures from subcritical (120 K) to supercritical (313 K) conditions. Layering transition, capillary condensation and adsorption hysteresis are found at 120 K. The microstructure of carbon dioxide fluid in the slit carbon pore is analyzed. The diffusion coefficients of carbon dioxide parallel to the slit wall are significantly larger than those normal to the slit wall.展开更多
文摘This paper presents a theoretical method for predicting the effective diffusion coefficient of macromolecules in the microporous membrfines in view of the effects of molecular dimension and configuration. On the basis of the hindered diffusion theory of spherical neutral macromolecules in a micropore of a long cylinder, the effects of molecular dimension and configuration are studied by defining two molecular dimensions:the mean projected radius to predict the concentration partition and the ' hydrodynamically equivalent sphere' radius to evaluate the hydrodynamic reverse drag force. The quantitative comparison shows that the effective diffusion coefficients for different macromolecules predicted by the present method are more consistent with the available published experimental data.
基金supported by the Natural Science Foundation of Jiangsu Province of China (No. BK20141407)the Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions。
文摘Based on the bulk free energy density and the degenerate mobility constructed by the quartic double-well potential function,a phase field model is established to simulate the evolution of intragranular microvoids due to surface diffusion in a stress field.The corresponding phase field governing equations are derived.The evolution of elliptical microvoids with different stressesΛ,aspect ratiosβand linewidths hˉis calculated using the mesh adaptation finite element method and the reliability of the procedure is verified.The results show that there exist critical values of the stressΛc,the aspect ratioβc and the linewidth hˉc of intragranular microvoids under equivalent biaxial tensile stress.When Λ≥Λ_(c),β≥β_(c) or h≤h_(c),the elliptical microvoids are instable with an extending crack tip.WhenΛ<Λ_(c),β<β_(c) or hˉ>h_(c),the elliptical microvoids gradually cylindricalize and remain a stable shape.The instability time decreases with increasing the stress or the aspect ratio,while increases with increasing the linewidth.In addition,for the interconnects containing two elliptical voids not far apart,the stress will promote the merging of the voids.
基金Project(50878080)supported by the National Natural Science Foundation of ChinaProject(K0902006-31)supported by the Key Scientific and Technological Special of Changsha City in China
文摘The general behavior of micron-particles in the inner domain of porous ceramic vessel was simulated by computational fluid dynamics software in terms of sampling experimental data.The results show that there is an optimum porosity of 0.32 to get a higher efficiency and lower pressure drop during filtration.According to the results of simulation and experiment,it is evident that lower inlet velocity can maintain lower pressure drop and obtain higher collection efficiency and inlet concentration also has a crucial influence on the collection efficiency.The collection efficiency of equipment increases significantly with the increase of inlet concentration when the inlet concentration is less than 6.3 g/m3,but it gradually tends to be stable in the range of 97.3%-99.7%when the inlet concentration is over this concentration.
基金Supported by the State Key Fundamental Research Plan of China (No. G2000048010) and National High Performance Computing Foundation of China (No. 99118).
文摘Both the grand canonical Monte Carlo and molecular dynamics simulation methods are used to investigate the adsorption and diffusion of carbon dioxide confined in a 1.86 nm slit carbon pore at 4 temperatures from subcritical (120 K) to supercritical (313 K) conditions. Layering transition, capillary condensation and adsorption hysteresis are found at 120 K. The microstructure of carbon dioxide fluid in the slit carbon pore is analyzed. The diffusion coefficients of carbon dioxide parallel to the slit wall are significantly larger than those normal to the slit wall.
