Lead has caused serious environmental pollution due to its toxicity, accumulation in food chains and persistence in nature. In this paper, removal of lead from aqueous solutions is investigated using a novel gel adsor...Lead has caused serious environmental pollution due to its toxicity, accumulation in food chains and persistence in nature. In this paper, removal of lead from aqueous solutions is investigated using a novel gel adsorbent synthesized from natural condensed tannin. The novel adsorbent performs in aqueous solutions as a weak base with valid basic groups of 1.2mmol·g-1 tannin gel particles and therefore results in the elevation of pH value of aqueous solutions. Even when initial pH is 3.6, final pH at equilibrium can climb up to 6.5 that is above the pH value for Pb(OH)2 precipitation formation and then lead can be removed from wastewater by this so-called surface precipitation. The adsorption isotherm can be expressed by the Langmuir equation and the maximum capacity for adsorption of Pb is up to 92 mg·g-1 (based on dry adsorbent) when initial pH value is 3.6. Hence, the adsorbent does offer favorable properties in lead removal with respect to its high adsorption capacity at low initial pH value, which is advantageous to lead removal from acidic wastewater. A model is put forward to describe the individual adsorption phenomenon of the tannin gel adsorbent.展开更多
The objective of this work is to study the efficiency of some surface modified phyllosilicate minerals （bentonite and glauconite） in the removal of dyes from textile waste water. It is found that complete dye remova...The objective of this work is to study the efficiency of some surface modified phyllosilicate minerals （bentonite and glauconite） in the removal of dyes from textile waste water. It is found that complete dye removal was achieved by using 10-25g modified glauconite from solutions having a dye concentration of 10-50 mg/L. Adsorption data were modeled using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich isotherms. Adsorption capacities and optimum adsorption isotherms were predicted by linear regression method. The analysis of experimental isotherms showed that Langmuir isotherm reasonably fit the experimental data in the studied concentration range for the adsorption of dye onto glauconite mineral surface where Freundlich isotherm fit the experimental data for the adsorption of dve onto bentonite mineral surface.展开更多
The adsorption of H2O molecule and its dissociation products, O and OH, on CuCl（111） surface was studied with periodic slab model by PW91 approach of GGA within the framework of density functional theory. The result...The adsorption of H2O molecule and its dissociation products, O and OH, on CuCl（111） surface was studied with periodic slab model by PW91 approach of GGA within the framework of density functional theory. The results of geometry optimization indicate that the top site is stable energetically for H2O adsorbed over the CuCl（111） surface. The threefold hollow site is found to be the most stable adsorption site for OH and O, and the calculated adsorption energies are 309.5 and 416.5 kJ/mol, respectively. Adsorption of H20 on oxygen-precovered CuCl（111） surface to form surface hydroxyl groups is predicted to be exothermic by 180.1 kJ/mol. The stretching vibrational frequencies, Mulliken population analysis and density of states analysis are employed to interpret the possible mechanism for the computed results.展开更多
Abstract Goethite widely exists among ocean sediments; it plays an important role in fixing heavy metals and adsorbing organic contaminants. So the understanding of the adsorbing process of water molecule on its surfa...Abstract Goethite widely exists among ocean sediments; it plays an important role in fixing heavy metals and adsorbing organic contaminants. So the understanding of the adsorbing process of water molecule on its surface will be very helpful to further reveal such environmental friendly processes. The configuration, electronic properties and interaction energy of water molecules adsorbed on pnma goethite （010） surface were investigated in detail by using density functional theory on 6-31G （d,p） basis set and projec- tor-augment wave （PAW） method. The mechanism of the interaction between goethite surface and H20 was proposed. Despite the differences in total energy, there are four possible types of water molecule adsorption configurations on goethite （010） surface （Aa, Ab, Ba, Bb）, forming coordination bond with surface Fe atom. Results of theoretical modeling indicate that the dissociation process of adsorbed water is an endothermic reaction with high activation energy. The dissociation of adsorbed water molecule is a proton transportation process between water＇s O atoms and surface. PDOS results indicate that the bonding between 1-120 and （010） surface is due to the overlapping of water＇s 2p orbitals and Fe＇s 3d orbitals. These results clarify the mechanism on how adsorbed water is dissociated on the surface of goethite and potentially provide useful information of the surface chemistry of goethite.展开更多
Five different kinds of hydrophilic organic salts were used to modify commercial activated carbon in order to prepare hydrophilic carbon materials. Properties of the samples were analyzed by surface area analyzer and ...Five different kinds of hydrophilic organic salts were used to modify commercial activated carbon in order to prepare hydrophilic carbon materials. Properties of the samples were analyzed by surface area analyzer and SEM-EDX. The hydrophilic organic salts with different properties were introduced into activated carbon and significantly affected the properties of the samples.During adsorption experiments, the water vapor adsorption amount in modified samples increases by 0.57-17.12 times in temperature range from 303 to 323 K and at relative pressure below 0.50. Water molecules combined with surface hydrophilic groups through H-bonding exhibit good thermo stability. The effects of temperature, oxygen content and properties of the hydrophilic organic salts on water vapor adsorption were studied. It is indicated that water vapor adsorption in modified samples is mainly affected by the surface oxygen content. The carboxylate radicals in the hydrophilic organic salts greatly affect the micropore structure of the modified samples, while the metal ions in them exhibit limited influence. Different adsorption capacity of modified samples can be explained with the electronegativity of elements presented by Pauling.展开更多
文摘Lead has caused serious environmental pollution due to its toxicity, accumulation in food chains and persistence in nature. In this paper, removal of lead from aqueous solutions is investigated using a novel gel adsorbent synthesized from natural condensed tannin. The novel adsorbent performs in aqueous solutions as a weak base with valid basic groups of 1.2mmol·g-1 tannin gel particles and therefore results in the elevation of pH value of aqueous solutions. Even when initial pH is 3.6, final pH at equilibrium can climb up to 6.5 that is above the pH value for Pb(OH)2 precipitation formation and then lead can be removed from wastewater by this so-called surface precipitation. The adsorption isotherm can be expressed by the Langmuir equation and the maximum capacity for adsorption of Pb is up to 92 mg·g-1 (based on dry adsorbent) when initial pH value is 3.6. Hence, the adsorbent does offer favorable properties in lead removal with respect to its high adsorption capacity at low initial pH value, which is advantageous to lead removal from acidic wastewater. A model is put forward to describe the individual adsorption phenomenon of the tannin gel adsorbent.
文摘The objective of this work is to study the efficiency of some surface modified phyllosilicate minerals （bentonite and glauconite） in the removal of dyes from textile waste water. It is found that complete dye removal was achieved by using 10-25g modified glauconite from solutions having a dye concentration of 10-50 mg/L. Adsorption data were modeled using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich isotherms. Adsorption capacities and optimum adsorption isotherms were predicted by linear regression method. The analysis of experimental isotherms showed that Langmuir isotherm reasonably fit the experimental data in the studied concentration range for the adsorption of dye onto glauconite mineral surface where Freundlich isotherm fit the experimental data for the adsorption of dve onto bentonite mineral surface.
基金ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China （No.10676007）, the Science and Technology Foundation of Fuzhou University （No.2005-XQ-03） and the Key Fund of the Government of Fujian Province （No.2005HZ01-2-6）.
文摘The adsorption of H2O molecule and its dissociation products, O and OH, on CuCl（111） surface was studied with periodic slab model by PW91 approach of GGA within the framework of density functional theory. The results of geometry optimization indicate that the top site is stable energetically for H2O adsorbed over the CuCl（111） surface. The threefold hollow site is found to be the most stable adsorption site for OH and O, and the calculated adsorption energies are 309.5 and 416.5 kJ/mol, respectively. Adsorption of H20 on oxygen-precovered CuCl（111） surface to form surface hydroxyl groups is predicted to be exothermic by 180.1 kJ/mol. The stretching vibrational frequencies, Mulliken population analysis and density of states analysis are employed to interpret the possible mechanism for the computed results.
基金financial supports from the National Natural Science Foundation of China (Nos.50673085,20677053)
文摘Abstract Goethite widely exists among ocean sediments; it plays an important role in fixing heavy metals and adsorbing organic contaminants. So the understanding of the adsorbing process of water molecule on its surface will be very helpful to further reveal such environmental friendly processes. The configuration, electronic properties and interaction energy of water molecules adsorbed on pnma goethite （010） surface were investigated in detail by using density functional theory on 6-31G （d,p） basis set and projec- tor-augment wave （PAW） method. The mechanism of the interaction between goethite surface and H20 was proposed. Despite the differences in total energy, there are four possible types of water molecule adsorption configurations on goethite （010） surface （Aa, Ab, Ba, Bb）, forming coordination bond with surface Fe atom. Results of theoretical modeling indicate that the dissociation process of adsorbed water is an endothermic reaction with high activation energy. The dissociation of adsorbed water molecule is a proton transportation process between water＇s O atoms and surface. PDOS results indicate that the bonding between 1-120 and （010） surface is due to the overlapping of water＇s 2p orbitals and Fe＇s 3d orbitals. These results clarify the mechanism on how adsorbed water is dissociated on the surface of goethite and potentially provide useful information of the surface chemistry of goethite.
基金Projects(21376274,51206192)supported by the National Natural Science Foundation of China
文摘Five different kinds of hydrophilic organic salts were used to modify commercial activated carbon in order to prepare hydrophilic carbon materials. Properties of the samples were analyzed by surface area analyzer and SEM-EDX. The hydrophilic organic salts with different properties were introduced into activated carbon and significantly affected the properties of the samples.During adsorption experiments, the water vapor adsorption amount in modified samples increases by 0.57-17.12 times in temperature range from 303 to 323 K and at relative pressure below 0.50. Water molecules combined with surface hydrophilic groups through H-bonding exhibit good thermo stability. The effects of temperature, oxygen content and properties of the hydrophilic organic salts on water vapor adsorption were studied. It is indicated that water vapor adsorption in modified samples is mainly affected by the surface oxygen content. The carboxylate radicals in the hydrophilic organic salts greatly affect the micropore structure of the modified samples, while the metal ions in them exhibit limited influence. Different adsorption capacity of modified samples can be explained with the electronegativity of elements presented by Pauling.
