Amino-functionalized magnetic nanoparticle （NH2-MNP） were prepared by a sol-gel approach. The adsorption behavior of Cu（II） ions on NH2-MNP was discussed systematically by batch experiments. The effects of initial...Amino-functionalized magnetic nanoparticle （NH2-MNP） were prepared by a sol-gel approach. The adsorption behavior of Cu（II） ions on NH2-MNP was discussed systematically by batch experiments. The effects of initial Cu（II） ions concentration, time, pH and temperature were investigated. In kinetic studies, the pseudo-second-order model was successfully employed, and the pseudo-first-order model substantiated that Cu（II） adsorption on NH2-MNP was a diffusion-based process. Langmuir model and Dubinin-Radushkevich model （R2〉0.99） were more corresponded with the adsorption isotherm data of Cu（II） ions than Freundlich model. The adsorption capacity was increased with the increment of temperature and pH. NH2-MNP remains excellent Cu（II） recoveries after reusing five adsorption and desorption cycles, making NH2-MNP a promising candidate for repetitively removing heavy metal ions from environmental water samples. According to the results obtained from adsorption activation energy and thermodynamic studies, it can be inferred that the main adsorption mechanism between absorbent and Cu（II） ions is ion exchange-surface complexation.展开更多
Molecular dynamics （MD） simulations are performed to study the structure and adsorption of ethanol/water mixture within carbon nanotubes （CNTs）. Inside the （6,6） and （10,10） CNTs, there are always almost full ...Molecular dynamics （MD） simulations are performed to study the structure and adsorption of ethanol/water mixture within carbon nanotubes （CNTs）. Inside the （6,6） and （10,10） CNTs, there are always almost full of ethanol molecules and hardly water molecules. Inside wider CNTs, there are some water molecules, while the ethanol mass fractions inside the CNTs are still much higher than the corresponding bulk values. A series of structural analysis for the molecules inside and outside the CNTs are performed, including the distributions of radial, axial, angular density, orientation, and the number of hydrogen bonds. The angular density distribution of the molecules in the first solvation shell outside the CNTs indicates that the methyl groups of ethanol molecules have the strongest interaction with the carbon wall, and are pinned to the centers of the hexagons of the CNTs. Based on the understanding of the microscopic mechanism of these phenomena, we propose that the CNTs prefer to contain ethanol rather than methanol.展开更多
Presence of different terms with various values can alter the thermal behavior of the nanofluids flow over porous surfaces.The aim of this research is to study the influence of nanoparticles volume fraction,nanopartic...Presence of different terms with various values can alter the thermal behavior of the nanofluids flow over porous surfaces.The aim of this research is to study the influence of nanoparticles volume fraction,nanoparticles type,suction or injection,the heat generation or absorption,the Eckert number,thermal and velocity slip parameters,and radiation on the velocity and temperature fields on the flow and heat transfer over a porous flat plate.Four different types of nanoparticles including metal nanoparticles (Cu),metal oxide nanoparticles (Al2O3) and carbon-based nanomaterials (MWCNTs and SWCNTs) which were dispersed in the water (as based fluid) are studied.The governing equations are converted into the ordinary differential equations using similarity solution and solved numerically by the RKF45 algorithm.The results of the simulations showed a contradiction with the results of other researchers who expressed that using nanoparticles with higher thermal conductivity and volume fraction led to increasing heat transfer rate in nanofluids;this study proves that,in some cases,boosting the volume fraction of nanoparticles has a potential to decrease the heat transfer rate due to significant changes in values of some parameters including radiation,heat generation,and viscous dissipation.展开更多
Two kinds of nickel particles with flower-like struc~＇es assembled with a number of nano-flakes were synthesized and the relationship of their morphology and microwave absorbing properties was studied. The electromag...Two kinds of nickel particles with flower-like struc~＇es assembled with a number of nano-flakes were synthesized and the relationship of their morphology and microwave absorbing properties was studied. The electromagnetic parameters of these flower-like Ni were measured with vector network analyzer at 2-18 GHz frequency and the reflection losses （RL） with different sample thicknesses were calculated. The results indicate that the flower-like nickel-wax composites with the sample thickness less than 2 mm show excellent absorbing ability. This result is expected to play a guiding role in the preparation of the highly efficient absorber.展开更多
By employing dynamic Monte Carlo simulations, we investigate a coil-to-toroid transition of self-attractive semiflexible polymers and the spatial distributions of nanoparticles in self- attractive semiflexible polymer...By employing dynamic Monte Carlo simulations, we investigate a coil-to-toroid transition of self-attractive semiflexible polymers and the spatial distributions of nanoparticles in self- attractive semiflexible polymer/nanoparticle composites. The conformation of self-attractive semiflexible polymers depends on bending energy and self-attractive interactions between monomers in polymer chains. A three-stage process of toroid formation for self-attractive semiflexible chains is shown： several isolated toroids, a loose toroid structure, and a compact toroid structure. Utilizing the compact toroid conformations of self-attractive semiflexible chains, we can control effectively the spatial distributions of nanoparticles in self-attractive semiflexible polymer nanocomposites, and an unconventional toroid structure of nanoparti- cles is observed.展开更多
Assessing the adsorption properties of nanoporous materials and determining their structural characterization is critical for progressing the use of such materials for many applications, including gas storage. Gas ads...Assessing the adsorption properties of nanoporous materials and determining their structural characterization is critical for progressing the use of such materials for many applications, including gas storage. Gas adsorption can he used for this characterization because it assesses a broad range of pore sizes, from micropore to mesopore. In the past 20 years, key developments have been achieved both in the knowledge of the adsorption and phase behavior of fluids in ordered nanoporous materials and in the creation and advancement of state-of-the-art approaches based on statistical mechanics, such as molecular sim- ulation and density functional theory. Together with high-resolution experimental procedures for the adsorption of suhcritical and supercritical fluids, this has led to significant advances in physical adsorp- tion textural characterization. In this short, selective review paper, we discuss a few important and central features of the underlying adsorption mechanisms of fluids in a variety of nanoporous materials with well-defined pore structure. The significance of these features for advancing physical adsorption charac- terization and gas storage applications is also discussed.展开更多
基金Project(CXZZ11-0812)supported by Graduate Students Innovative Projects of Jiangsu Province,ChinaProject(J20122288)supported by Guizhou Provincial Natural Science Foundation of China+1 种基金Project(Y4110235)supported by Zhejiang Provincial Natural Science Foundation of ChinaProject(JKY2011008)supported by Fundamental Research Funds for the Central Universities,China
文摘Amino-functionalized magnetic nanoparticle （NH2-MNP） were prepared by a sol-gel approach. The adsorption behavior of Cu（II） ions on NH2-MNP was discussed systematically by batch experiments. The effects of initial Cu（II） ions concentration, time, pH and temperature were investigated. In kinetic studies, the pseudo-second-order model was successfully employed, and the pseudo-first-order model substantiated that Cu（II） adsorption on NH2-MNP was a diffusion-based process. Langmuir model and Dubinin-Radushkevich model （R2〉0.99） were more corresponded with the adsorption isotherm data of Cu（II） ions than Freundlich model. The adsorption capacity was increased with the increment of temperature and pH. NH2-MNP remains excellent Cu（II） recoveries after reusing five adsorption and desorption cycles, making NH2-MNP a promising candidate for repetitively removing heavy metal ions from environmental water samples. According to the results obtained from adsorption activation energy and thermodynamic studies, it can be inferred that the main adsorption mechanism between absorbent and Cu（II） ions is ion exchange-surface complexation.
基金V. ACKNOWLEDGMENTS This work is supported by the National Natural Science Foundation of China （No.20603032 and No.20733004）, the Ministry of Science and Techology of China （No.2011CB921400）, the Foundation for the Author of National Excellent Doctoral Dissertation of China （No.200736）, the Fundamental Research Funds for the Central Universities （No.WK2340000006 and No.WK2060140005）, and the Shanghai Supereompnter Center, the USTC-HP HPC Project, and the SCCAS.
文摘Molecular dynamics （MD） simulations are performed to study the structure and adsorption of ethanol/water mixture within carbon nanotubes （CNTs）. Inside the （6,6） and （10,10） CNTs, there are always almost full of ethanol molecules and hardly water molecules. Inside wider CNTs, there are some water molecules, while the ethanol mass fractions inside the CNTs are still much higher than the corresponding bulk values. A series of structural analysis for the molecules inside and outside the CNTs are performed, including the distributions of radial, axial, angular density, orientation, and the number of hydrogen bonds. The angular density distribution of the molecules in the first solvation shell outside the CNTs indicates that the methyl groups of ethanol molecules have the strongest interaction with the carbon wall, and are pinned to the centers of the hexagons of the CNTs. Based on the understanding of the microscopic mechanism of these phenomena, we propose that the CNTs prefer to contain ethanol rather than methanol.
文摘Presence of different terms with various values can alter the thermal behavior of the nanofluids flow over porous surfaces.The aim of this research is to study the influence of nanoparticles volume fraction,nanoparticles type,suction or injection,the heat generation or absorption,the Eckert number,thermal and velocity slip parameters,and radiation on the velocity and temperature fields on the flow and heat transfer over a porous flat plate.Four different types of nanoparticles including metal nanoparticles (Cu),metal oxide nanoparticles (Al2O3) and carbon-based nanomaterials (MWCNTs and SWCNTs) which were dispersed in the water (as based fluid) are studied.The governing equations are converted into the ordinary differential equations using similarity solution and solved numerically by the RKF45 algorithm.The results of the simulations showed a contradiction with the results of other researchers who expressed that using nanoparticles with higher thermal conductivity and volume fraction led to increasing heat transfer rate in nanofluids;this study proves that,in some cases,boosting the volume fraction of nanoparticles has a potential to decrease the heat transfer rate due to significant changes in values of some parameters including radiation,heat generation,and viscous dissipation.
基金Project(JC201006020838A)supported by the Basic Research Funds of Science and Technology Foundation of Shenzhen,China
文摘Two kinds of nickel particles with flower-like struc~＇es assembled with a number of nano-flakes were synthesized and the relationship of their morphology and microwave absorbing properties was studied. The electromagnetic parameters of these flower-like Ni were measured with vector network analyzer at 2-18 GHz frequency and the reflection losses （RL） with different sample thicknesses were calculated. The results indicate that the flower-like nickel-wax composites with the sample thickness less than 2 mm show excellent absorbing ability. This result is expected to play a guiding role in the preparation of the highly efficient absorber.
文摘By employing dynamic Monte Carlo simulations, we investigate a coil-to-toroid transition of self-attractive semiflexible polymers and the spatial distributions of nanoparticles in self- attractive semiflexible polymer/nanoparticle composites. The conformation of self-attractive semiflexible polymers depends on bending energy and self-attractive interactions between monomers in polymer chains. A three-stage process of toroid formation for self-attractive semiflexible chains is shown： several isolated toroids, a loose toroid structure, and a compact toroid structure. Utilizing the compact toroid conformations of self-attractive semiflexible chains, we can control effectively the spatial distributions of nanoparticles in self-attractive semiflexible polymer nanocomposites, and an unconventional toroid structure of nanoparti- cles is observed.
文摘Assessing the adsorption properties of nanoporous materials and determining their structural characterization is critical for progressing the use of such materials for many applications, including gas storage. Gas adsorption can he used for this characterization because it assesses a broad range of pore sizes, from micropore to mesopore. In the past 20 years, key developments have been achieved both in the knowledge of the adsorption and phase behavior of fluids in ordered nanoporous materials and in the creation and advancement of state-of-the-art approaches based on statistical mechanics, such as molecular sim- ulation and density functional theory. Together with high-resolution experimental procedures for the adsorption of suhcritical and supercritical fluids, this has led to significant advances in physical adsorp- tion textural characterization. In this short, selective review paper, we discuss a few important and central features of the underlying adsorption mechanisms of fluids in a variety of nanoporous materials with well-defined pore structure. The significance of these features for advancing physical adsorption charac- terization and gas storage applications is also discussed.
