This study presents the deep removal of copper (Ⅱ) from the simulated cobalt electrolyte using fabricated polystyrene-supported 2-aminomethylpyridine chelating resin (PS-AMP) in a fixed-bed.The effects of bed height ...This study presents the deep removal of copper (Ⅱ) from the simulated cobalt electrolyte using fabricated polystyrene-supported 2-aminomethylpyridine chelating resin (PS-AMP) in a fixed-bed.The effects of bed height (7.0–14.0 cm),feed flow rate (4.5–9.0 mL/min),initial copper (Ⅱ) concentration of the feed (250–1000 mg/L),feed temperature (25–40 ℃) and the value of pH (2.0–4.0) on the adsorption process of the PS-AMP resin were investigated.The experimental data showed that the PS-AMP resin can deeply eliminate copper (Ⅱ) from the simulated cobalt electrolyte.The bed height,feed flow rate,initial copper (Ⅱ) concentration of the feed,feed temperature and feed pH value which corresponded to the highest removal of copper (Ⅱ) were 7.0 cm with 35 mm of the column diameter,4.5 mL/min,40℃,1000 mg/L and 4.0,respectively.The breakthrough capacity,the saturated capacity of the column and the mass ratio of Cu/Co (g/g) in the saturated resin were correspondingly 16.51 mg/g dry resin,61.72 mg/g dry resin and 37.67 under the optimal experimental conditions.The copper (Ⅱ) breakthrough curves were fitted by the empirical models of Thomas,Yoon-Nelson and Adam-Bohart,respectively.The Thomas model was found to be the most suitable one for predicting how the concentration of copper (Ⅱ) in the effluent changes with the adsorption time.展开更多
Simulations of adsorption process using the Reynolds mass flux model described in Part I of these serial articles are presented. The object of the simulation is the methylene chloride adsorption in a packed column(0.0...Simulations of adsorption process using the Reynolds mass flux model described in Part I of these serial articles are presented. The object of the simulation is the methylene chloride adsorption in a packed column(0.041 m id,packed with spherical activated carbon up to a length of 0.2 m). With the Reynolds mass flux model,breakthrough/regeneration curves, concentration and temperature as well as the velocity distributions can be obtained. The simulated results are compared with the experimental data reported in the literature and satisfactory agreement is found both in breakthrough/regeneration curves and temperature curves. Moreover,the anisotropic turbulent mass diffusion is characterized and discussed.展开更多
Using the latest reported homologous Chemokine receptors (PDB ID: 3ODU, 3OE0 and 3OE6) as templates, twenty models of angiotensin II (Ang II) type 1 (AT1) receptor (known as p30556) were generated by multiple...Using the latest reported homologous Chemokine receptors (PDB ID: 3ODU, 3OE0 and 3OE6) as templates, twenty models of angiotensin II (Ang II) type 1 (AT1) receptor (known as p30556) were generated by multiple templates homology modeling. According to the results of the initial validation of these twenty models, the model 0020 was finally chosen as the best one for further studies. Then, a 2 ns molecular dynamic (MD) simulation for model 0020 was conducted in normal saline (0.9%, w/F) under periodical boundary conditions, which was followed by docking studies of model 0020 with several existing AT1 receptor blockers (ARBs). The docking results reveal that model 0020 possesses good affinities with these docked ARBs which are in accordance with both the IC50 inhibitor values and their curative effects. The results also show more potent interactions between the model 0020 and its ARBs than those of ever reported results, such as hydrogen bonds, hydrophobic interactions, and especially cation-n interactions and π-π interactions which have never been reported before. This may reveal that the structure of the model 0020 is quite close to its real crystal structure and the model 0020 may have the potential to be used for structure based drug design:展开更多
The early precipitation process of Ni(75)Al(14)Mo(11) alloy was simulated by microscopic phase-field model at different temperatures.The microstructure of the alloy,the precipitation time of Llo structure and oc...The early precipitation process of Ni(75)Al(14)Mo(11) alloy was simulated by microscopic phase-field model at different temperatures.The microstructure of the alloy,the precipitation time of Llo structure and occupation probability of the three kinds of atoms were investigated.It is indicated that the non-stoichiometric Ll0(Ⅰ/Ⅱ) phases are found in the precipitation process.With the temperature increasing,the appearance time of Ll0 is brought forward.The Ll0(Ⅱ) structure always precipitates earlier than the Ll0(Ⅰ) structure.Compared with lower temperature,higher temperature brings the formation time of Ll0 phase forward and makes Ll0 phase have a higher order degree.But lower temperature shortens the process time of the Ll0 phase to the Ll2 phase.Al and Mo atoms tend to occupy γ site,Ni atom tends to occupy a and β sites.At the same temperature,Al atom has stronger occupation ability than Mo atom in the same site.Ni,Al and Mo collectively form the composited Ll2 structure.展开更多
In the present study, the aptitudes of acrylamide grafted cellulose to remove Cu(Ⅱ) ions from aqueous solutions were investigated. The preparation process was carried out through graft copolymerization of acrylamid...In the present study, the aptitudes of acrylamide grafted cellulose to remove Cu(Ⅱ) ions from aqueous solutions were investigated. The preparation process was carried out through graft copolymerization of acrylamide onto cellulose, using ceric ammonium nitrate as an initiator. Fourier transform Infrared spectroscopy was used to confirm and characterization poly acrylamide-grafted cellulose formation. Batch experiments of Cu(Ⅱ) ions adsorption on the grafted cellulose adsorbent were performed. Effects of initial pH of the solution, contact time and initial Cu(Ⅱ) concentration on the adsorption of Cu(Ⅱ) were studied. The maximum adsorption of Cu(Ⅱ) ion on grafted cellulose is observed 90 mg/g at the initial pH of 6. Equilibrium time was reached within 3h. Kinetic data were analyzed using the pseudo-first-order, pseudo-second-order equations. The data fitted very well to the pseudo-second-order rate expression. The equilibrium data for adsorption isotherms of these metal ions on grafted cellulose were obtained using the Langmuir and Freundlich models and the Langmuir model was obtained to be in better correlation with the experimental data. The results showed that acrylamide-g-cellulose developed in this study could be an economical and effective adsorbent for application in removal of copper ion from water and waste waters.展开更多
Activated carbons were prepared by two chemical methods and the adsorption of Cu(II) on activated carbons from aqueous solution containing amino groups was studied. The first method involved the chlorination of activa...Activated carbons were prepared by two chemical methods and the adsorption of Cu(II) on activated carbons from aqueous solution containing amino groups was studied. The first method involved the chlorination of activated carbon following by substitution of chloride groups with amino groups, and the second involved the nitrilation of activated carbon with reduction of nitro groups to amino groups. Resultant activated carbons were characterized in terms of porous structure, elemental analysis, FTIR spectroscopy, XPS, Boehm titration,and p Hzpc. Kinetic and equilibrium tests were performed for copper adsorption in the batch mode. Also,adsorption mechanism and effect of p H on the adsorption of Cu(II) ions were discussed. Adsorption study shows enhanced adsorption for copper on the modified activated carbons, mainly by the presence of amino groups, and the Freundlich model is applicable for the activated carbons. It is suggested that binding of nitrogen atoms with Cu(II) ions is stronger than that with H+ions due to relatively higher divalent charge or stronger electrostatic force.展开更多
Nanofiber membranes from the composite of cellulose acetate/polyvinylpyrrolidone were prepared using electrospinning technique. After treated with water and alcoholic KOH to remove partially polyvinylpyrrolidone and d...Nanofiber membranes from the composite of cellulose acetate/polyvinylpyrrolidone were prepared using electrospinning technique. After treated with water and alcoholic KOH to remove partially polyvinylpyrrolidone and deacetylate the cellulose acetate, the membranes were further functionalized with thiol groups using thioglycolic acid. Related materials were characterized using infrared and thermogravimetric analysis. And the results showed that the membranes were success of functionalisation. Then the nanofiber membranes were used in the sorption-desorption process. The effects of pH, contacting time and adsorption capacity of nanofiber membranes were studied against Cu(II), Cd(II) and Pb(II) ions. And the maximum adsorption capacities of Pb (II), Cu (II), and Cd (II) ions were estimated at 30.96, 19.63, 34.70 mg g-1. Our results suggested that the adsorption be- haviour of metal ions could be described using Langmuir model. Their adsorption kinetics was in agreement with the model of pseudo-second order, suggesting chemical adsorption as the rate-limiting step of the adsorption mechanism. The durability of the thiol-functionalized cellulose nanofiber membranes was also evaluated by repetitive adsorption-desorption.展开更多
基金Project(2014CB643401)supported by the National Basic Research Program of ChinaProjects(51134007,51474256)supported by the National Natural Science Foundation of ChinaProject(2017TP1001)supported by the Hunan Provincial Science and Technology Plan Project,China
文摘This study presents the deep removal of copper (Ⅱ) from the simulated cobalt electrolyte using fabricated polystyrene-supported 2-aminomethylpyridine chelating resin (PS-AMP) in a fixed-bed.The effects of bed height (7.0–14.0 cm),feed flow rate (4.5–9.0 mL/min),initial copper (Ⅱ) concentration of the feed (250–1000 mg/L),feed temperature (25–40 ℃) and the value of pH (2.0–4.0) on the adsorption process of the PS-AMP resin were investigated.The experimental data showed that the PS-AMP resin can deeply eliminate copper (Ⅱ) from the simulated cobalt electrolyte.The bed height,feed flow rate,initial copper (Ⅱ) concentration of the feed,feed temperature and feed pH value which corresponded to the highest removal of copper (Ⅱ) were 7.0 cm with 35 mm of the column diameter,4.5 mL/min,40℃,1000 mg/L and 4.0,respectively.The breakthrough capacity,the saturated capacity of the column and the mass ratio of Cu/Co (g/g) in the saturated resin were correspondingly 16.51 mg/g dry resin,61.72 mg/g dry resin and 37.67 under the optimal experimental conditions.The copper (Ⅱ) breakthrough curves were fitted by the empirical models of Thomas,Yoon-Nelson and Adam-Bohart,respectively.The Thomas model was found to be the most suitable one for predicting how the concentration of copper (Ⅱ) in the effluent changes with the adsorption time.
基金Supported by the National Natural Science Foundation of China(21376163)
文摘Simulations of adsorption process using the Reynolds mass flux model described in Part I of these serial articles are presented. The object of the simulation is the methylene chloride adsorption in a packed column(0.041 m id,packed with spherical activated carbon up to a length of 0.2 m). With the Reynolds mass flux model,breakthrough/regeneration curves, concentration and temperature as well as the velocity distributions can be obtained. The simulated results are compared with the experimental data reported in the literature and satisfactory agreement is found both in breakthrough/regeneration curves and temperature curves. Moreover,the anisotropic turbulent mass diffusion is characterized and discussed.
基金Project(20876180)supported by the National Natural Science Foundation of China
文摘Using the latest reported homologous Chemokine receptors (PDB ID: 3ODU, 3OE0 and 3OE6) as templates, twenty models of angiotensin II (Ang II) type 1 (AT1) receptor (known as p30556) were generated by multiple templates homology modeling. According to the results of the initial validation of these twenty models, the model 0020 was finally chosen as the best one for further studies. Then, a 2 ns molecular dynamic (MD) simulation for model 0020 was conducted in normal saline (0.9%, w/F) under periodical boundary conditions, which was followed by docking studies of model 0020 with several existing AT1 receptor blockers (ARBs). The docking results reveal that model 0020 possesses good affinities with these docked ARBs which are in accordance with both the IC50 inhibitor values and their curative effects. The results also show more potent interactions between the model 0020 and its ARBs than those of ever reported results, such as hydrogen bonds, hydrophobic interactions, and especially cation-n interactions and π-π interactions which have never been reported before. This may reveal that the structure of the model 0020 is quite close to its real crystal structure and the model 0020 may have the potential to be used for structure based drug design:
基金Project(51275486)supported by the National Natural Science Foundation of China
文摘The early precipitation process of Ni(75)Al(14)Mo(11) alloy was simulated by microscopic phase-field model at different temperatures.The microstructure of the alloy,the precipitation time of Llo structure and occupation probability of the three kinds of atoms were investigated.It is indicated that the non-stoichiometric Ll0(Ⅰ/Ⅱ) phases are found in the precipitation process.With the temperature increasing,the appearance time of Ll0 is brought forward.The Ll0(Ⅱ) structure always precipitates earlier than the Ll0(Ⅰ) structure.Compared with lower temperature,higher temperature brings the formation time of Ll0 phase forward and makes Ll0 phase have a higher order degree.But lower temperature shortens the process time of the Ll0 phase to the Ll2 phase.Al and Mo atoms tend to occupy γ site,Ni atom tends to occupy a and β sites.At the same temperature,Al atom has stronger occupation ability than Mo atom in the same site.Ni,Al and Mo collectively form the composited Ll2 structure.
文摘In the present study, the aptitudes of acrylamide grafted cellulose to remove Cu(Ⅱ) ions from aqueous solutions were investigated. The preparation process was carried out through graft copolymerization of acrylamide onto cellulose, using ceric ammonium nitrate as an initiator. Fourier transform Infrared spectroscopy was used to confirm and characterization poly acrylamide-grafted cellulose formation. Batch experiments of Cu(Ⅱ) ions adsorption on the grafted cellulose adsorbent were performed. Effects of initial pH of the solution, contact time and initial Cu(Ⅱ) concentration on the adsorption of Cu(Ⅱ) were studied. The maximum adsorption of Cu(Ⅱ) ion on grafted cellulose is observed 90 mg/g at the initial pH of 6. Equilibrium time was reached within 3h. Kinetic data were analyzed using the pseudo-first-order, pseudo-second-order equations. The data fitted very well to the pseudo-second-order rate expression. The equilibrium data for adsorption isotherms of these metal ions on grafted cellulose were obtained using the Langmuir and Freundlich models and the Langmuir model was obtained to be in better correlation with the experimental data. The results showed that acrylamide-g-cellulose developed in this study could be an economical and effective adsorbent for application in removal of copper ion from water and waste waters.
文摘Activated carbons were prepared by two chemical methods and the adsorption of Cu(II) on activated carbons from aqueous solution containing amino groups was studied. The first method involved the chlorination of activated carbon following by substitution of chloride groups with amino groups, and the second involved the nitrilation of activated carbon with reduction of nitro groups to amino groups. Resultant activated carbons were characterized in terms of porous structure, elemental analysis, FTIR spectroscopy, XPS, Boehm titration,and p Hzpc. Kinetic and equilibrium tests were performed for copper adsorption in the batch mode. Also,adsorption mechanism and effect of p H on the adsorption of Cu(II) ions were discussed. Adsorption study shows enhanced adsorption for copper on the modified activated carbons, mainly by the presence of amino groups, and the Freundlich model is applicable for the activated carbons. It is suggested that binding of nitrogen atoms with Cu(II) ions is stronger than that with H+ions due to relatively higher divalent charge or stronger electrostatic force.
基金the National Nature Science Foundation of China (21177049,51103063)the Program of Science and Technology of Zhejiang Province (2011C22096, 2011C37033)the Program for Science and Technology of Jiaxing (2011AY1027, 2011AY1007) for financial supports
文摘Nanofiber membranes from the composite of cellulose acetate/polyvinylpyrrolidone were prepared using electrospinning technique. After treated with water and alcoholic KOH to remove partially polyvinylpyrrolidone and deacetylate the cellulose acetate, the membranes were further functionalized with thiol groups using thioglycolic acid. Related materials were characterized using infrared and thermogravimetric analysis. And the results showed that the membranes were success of functionalisation. Then the nanofiber membranes were used in the sorption-desorption process. The effects of pH, contacting time and adsorption capacity of nanofiber membranes were studied against Cu(II), Cd(II) and Pb(II) ions. And the maximum adsorption capacities of Pb (II), Cu (II), and Cd (II) ions were estimated at 30.96, 19.63, 34.70 mg g-1. Our results suggested that the adsorption be- haviour of metal ions could be described using Langmuir model. Their adsorption kinetics was in agreement with the model of pseudo-second order, suggesting chemical adsorption as the rate-limiting step of the adsorption mechanism. The durability of the thiol-functionalized cellulose nanofiber membranes was also evaluated by repetitive adsorption-desorption.