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
Ethanol-water near-azeotropic mixture dehydration was investigated by formulated compound starchbased adsorbent(CSA), which consists of corn, sweet potato and foaming agent. The net retention time and separation facto...Ethanol-water near-azeotropic mixture dehydration was investigated by formulated compound starchbased adsorbent(CSA), which consists of corn, sweet potato and foaming agent. The net retention time and separation factor of water over ethanol were measured by inverse gas chromatography(IGC). Results indicated that water has a longer net retention time than ethanol and that low temperature is beneficial to this dehydration process. Orthogonal test was conducted under different vapor feed flow rates, bed temperatures and bed heights, to obtain optimal fixed-bed dehydration condition. Dynamic saturated adsorbance was also studied. It was found that CSA has the same water adsorption capacity(0.15 g/g)as some commercial molecular sieves. Besides, this biosorptive dehydration process was found to be the most energy-efficient compared with other ethanol purification processes.展开更多
The removal of lead from ginseng ethanol extracts by a fixed-bed column filled with an adsorbent bearing amine and carboxyl groups was investigated. The Pb2+ content was determined by inductively coupled plasma mass s...The removal of lead from ginseng ethanol extracts by a fixed-bed column filled with an adsorbent bearing amine and carboxyl groups was investigated. The Pb2+ content was determined by inductively coupled plasma mass spectrometry. When the flowrate increased from 0.12 to 0.34 ml·min-1 , the column exhibited a marked increase in percentage of lead removal from 54.9% to 92.3%. Further increase in the flowrate did not bring evident changes to the lead removal, whereas an increase in the temperature could reinforce adsorption further, suggesting that the adsorption process was controlled by external film diffusion below the flowrate of 0.34 ml·min-1 , and by the intraparticle pore diffusion of lead ions when the flowrate exceeded it. A low remaining lead amount in extracts such as 0.11 mg·kg-1 (extracts powder) was achieved. The adsorbents also adsorbed effective constituents to some extent. But 88% of constituents adsorbed were taken off using a 70% ethanol aqueous solution.展开更多
Supercritical adsorption equilibrium has a significant role in defining supercritical adsorption behavior. In this paper, the adsorption equilibrium of citric acid from supercritical CO2/ethanol on a cyano column was ...Supercritical adsorption equilibrium has a significant role in defining supercritical adsorption behavior. In this paper, the adsorption equilibrium of citric acid from supercritical CO2/ethanol on a cyano column was systematically investigated with the elution by characteristic point method. Equilibrium loading was obtained at 313.15 K and 321.15 K with supercritical CO2/ethanol densities varying from 0.7068 g·cm-3to 0.8019 g·cm-3. The experimental results showed that the adsorption capacity of citric acid decreased with increasing temperature and increasing density of the supercritical CO2/ethanol mobile phase. The adsorption equilibrium data were fitted well by the Quadratic Hill isotherm model and the isotherms showed anti-Langmuir behavior. The monolayer saturation adsorption capacity of citric acid is in the range of 44.54 mg·cm-3to 64.66 mg·cm-3with an average value of 56.86 mg·cm-3.展开更多
Corn cob is a naturally renewable material with developed micropore and hydrophobic characteristics, which enables it to show good oil adsorption capacity. In order to improve oil adsorption capacity, corn cob was mod...Corn cob is a naturally renewable material with developed micropore and hydrophobic characteristics, which enables it to show good oil adsorption capacity. In order to improve oil adsorption capacity, corn cob was modified with lauric acid and ethanediol. The structure of raw and modified corn cob was investigated using Fourier transform infrared(FTIR) spectroscopy, scanning electron microscopy(SEM), Brunauer-Emmett-Teller(BET) method, thermogravimetric analysis(TGA) and Ze Ta potential analyzer. The effects of p H level, adsorption time, adsorbent dosage, and initial oil concentration on oil absorbency of corn cob were studied. The results indicate that the modification significantly improved the lipophilicity of corn cob, making the modified corn cob with much better adsorption capacity on oil absorbency. Compared with raw corn cob, the maximum saturated adsorption capacity of modified corn cob is 16.52 mg/g at p H 5, and the increasing percentage is found to be 141%, which indicates that the modification causes a better adsorption capacity for oil removal. In addition, due to high oil adsorption capacity, affordable price and low secondary pollution, the modified corn cob could be considered promising alternative for the traditional oil adsorbent to clean up the emulsified oily water.展开更多
Grafting of methoxypoly(ethylene glycol)(mPEG) to cells and biomaterials is a promising non-pharmacological immunomodulation technology.However,due to the labile nature of cells,surface-plasma interactions are poorly ...Grafting of methoxypoly(ethylene glycol)(mPEG) to cells and biomaterials is a promising non-pharmacological immunomodulation technology.However,due to the labile nature of cells,surface-plasma interactions are poorly understood;hence,a latex bead model was studied.PEGylation of beads resulted in a density and molecular weight dependent decrease in total adsorbed protein with a net reduction from(159.9±6.4) ng cm-2 on bare latex to(18.4±0.8) and(52.3±5.3) ng cm-2 on PEGylated beads(1 mmol L-1 of 2 or 20 kD SCmPEG,respectively).SDS-PAGE and iTRAQ-MS analysis revealed differential compositions of the adsorbed protein layer on the PEGylated latex with a significant reduction in the compositional abundance of proteins involved in immune system activation.Thus,the biological efficacy of immunocamouflaged cells and materials is mediated by both biophysical obfuscation of antigens and reduced surface-macromolecule interactions.展开更多
The structural and dynamic properties of nanoscale ethanol film on a mica surface are investigated via molecular dynamics simulations. We observe a dense, almost fiat ethanol bilayer formed in the vicinity of the mica...The structural and dynamic properties of nanoscale ethanol film on a mica surface are investigated via molecular dynamics simulations. We observe a dense, almost fiat ethanol bilayer formed in the vicinity of the mica surface, with the hydrophobic alkyl groups pointing outward from the surface. Remarkably, such ethanol bilayer is laterally well-ordered with patterned adsorption sites. Each ethanol molecule in the first layer donates one hydrogen bond to the surface basal oxygen atoms and accepts one hydrogen bond from that in the second layer. The ethanol molecules within the bilayer exhibit constrained lateral mobility and delayed dynamics as compared with bulk ethanol, whereas those on top of the bilayer have bulk-like characteristics.展开更多
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.
基金Supported by the Independent Innovation Foundation of Tianjin University(No.2010XY-0013)
文摘Ethanol-water near-azeotropic mixture dehydration was investigated by formulated compound starchbased adsorbent(CSA), which consists of corn, sweet potato and foaming agent. The net retention time and separation factor of water over ethanol were measured by inverse gas chromatography(IGC). Results indicated that water has a longer net retention time than ethanol and that low temperature is beneficial to this dehydration process. Orthogonal test was conducted under different vapor feed flow rates, bed temperatures and bed heights, to obtain optimal fixed-bed dehydration condition. Dynamic saturated adsorbance was also studied. It was found that CSA has the same water adsorption capacity(0.15 g/g)as some commercial molecular sieves. Besides, this biosorptive dehydration process was found to be the most energy-efficient compared with other ethanol purification processes.
基金Supported by the National＇Natural Science Foundation of China （20976012, 20806009）, and the Specialized Research Fund for the Doctoral Program of Higher Education （20070007055, 20091101110035）.
文摘The removal of lead from ginseng ethanol extracts by a fixed-bed column filled with an adsorbent bearing amine and carboxyl groups was investigated. The Pb2+ content was determined by inductively coupled plasma mass spectrometry. When the flowrate increased from 0.12 to 0.34 ml·min-1 , the column exhibited a marked increase in percentage of lead removal from 54.9% to 92.3%. Further increase in the flowrate did not bring evident changes to the lead removal, whereas an increase in the temperature could reinforce adsorption further, suggesting that the adsorption process was controlled by external film diffusion below the flowrate of 0.34 ml·min-1 , and by the intraparticle pore diffusion of lead ions when the flowrate exceeded it. A low remaining lead amount in extracts such as 0.11 mg·kg-1 (extracts powder) was achieved. The adsorbents also adsorbed effective constituents to some extent. But 88% of constituents adsorbed were taken off using a 70% ethanol aqueous solution.
文摘Supercritical adsorption equilibrium has a significant role in defining supercritical adsorption behavior. In this paper, the adsorption equilibrium of citric acid from supercritical CO2/ethanol on a cyano column was systematically investigated with the elution by characteristic point method. Equilibrium loading was obtained at 313.15 K and 321.15 K with supercritical CO2/ethanol densities varying from 0.7068 g·cm-3to 0.8019 g·cm-3. The experimental results showed that the adsorption capacity of citric acid decreased with increasing temperature and increasing density of the supercritical CO2/ethanol mobile phase. The adsorption equilibrium data were fitted well by the Quadratic Hill isotherm model and the isotherms showed anti-Langmuir behavior. The monolayer saturation adsorption capacity of citric acid is in the range of 44.54 mg·cm-3to 64.66 mg·cm-3with an average value of 56.86 mg·cm-3.
基金Project(51174017)supported by the National Natural Science Foundation of China
文摘Corn cob is a naturally renewable material with developed micropore and hydrophobic characteristics, which enables it to show good oil adsorption capacity. In order to improve oil adsorption capacity, corn cob was modified with lauric acid and ethanediol. The structure of raw and modified corn cob was investigated using Fourier transform infrared(FTIR) spectroscopy, scanning electron microscopy(SEM), Brunauer-Emmett-Teller(BET) method, thermogravimetric analysis(TGA) and Ze Ta potential analyzer. The effects of p H level, adsorption time, adsorbent dosage, and initial oil concentration on oil absorbency of corn cob were studied. The results indicate that the modification significantly improved the lipophilicity of corn cob, making the modified corn cob with much better adsorption capacity on oil absorbency. Compared with raw corn cob, the maximum saturated adsorption capacity of modified corn cob is 16.52 mg/g at p H 5, and the increasing percentage is found to be 141%, which indicates that the modification causes a better adsorption capacity for oil removal. In addition, due to high oil adsorption capacity, affordable price and low secondary pollution, the modified corn cob could be considered promising alternative for the traditional oil adsorbent to clean up the emulsified oily water.
基金supported by grants from the Canadian Blood Services,Canadian Blood Services-Canadian Institutes of Health Research(CBS-CIHR) Partnership Fund and Health Canada
文摘Grafting of methoxypoly(ethylene glycol)(mPEG) to cells and biomaterials is a promising non-pharmacological immunomodulation technology.However,due to the labile nature of cells,surface-plasma interactions are poorly understood;hence,a latex bead model was studied.PEGylation of beads resulted in a density and molecular weight dependent decrease in total adsorbed protein with a net reduction from(159.9±6.4) ng cm-2 on bare latex to(18.4±0.8) and(52.3±5.3) ng cm-2 on PEGylated beads(1 mmol L-1 of 2 or 20 kD SCmPEG,respectively).SDS-PAGE and iTRAQ-MS analysis revealed differential compositions of the adsorbed protein layer on the PEGylated latex with a significant reduction in the compositional abundance of proteins involved in immune system activation.Thus,the biological efficacy of immunocamouflaged cells and materials is mediated by both biophysical obfuscation of antigens and reduced surface-macromolecule interactions.
基金Supported by Grants from Chinese Academy of Sciences,the National Natural Science Foundation of China under Grant No. 10825520National Basic Research Program of China under Grant No. 2007CB936000China Postdoctoral Science Foundation under Grant No. 20100480645
文摘The structural and dynamic properties of nanoscale ethanol film on a mica surface are investigated via molecular dynamics simulations. We observe a dense, almost fiat ethanol bilayer formed in the vicinity of the mica surface, with the hydrophobic alkyl groups pointing outward from the surface. Remarkably, such ethanol bilayer is laterally well-ordered with patterned adsorption sites. Each ethanol molecule in the first layer donates one hydrogen bond to the surface basal oxygen atoms and accepts one hydrogen bond from that in the second layer. The ethanol molecules within the bilayer exhibit constrained lateral mobility and delayed dynamics as compared with bulk ethanol, whereas those on top of the bilayer have bulk-like characteristics.
