Theoretical studies of adsorption property on Ir_4/MgO and Ir_4/γ-Al_2O_3

The adsorption properties of atomic and molecular species on Ir4/MgO and Ir4/γ-Al2O3 have been systematically studied by means of planewave density functional theory（DFT）calculations using the periodic boundary conditions.The binding energies of these species were ordered as follows：H2O〈C2H4〈H〈OH〈S〈N〈O〈C.The adsorption energies of adatoms on Ir4/MgO were larger than those on Ir4/γ-Al2O3 except hydrogen atom,but were in reverse for the molecules calculated.In addition,the difference of adsorption energies on MgO and γ-Al2O3 supports has been elucidated by analyzing the electronic properties.A detailed investigation on state density clarifies the nature of the magnitude of adsorption energy.These calculated results are consistent well with the available experimental and theoretical results.

Synthesis and Adsorption Property of Dihydroxyl Azacrown Ether-Grafted Chitosan

A novel dihydroxyl azacrown ether chitosan was synthesized by reacting dihydroxyl azacrown ether with epoxy activated chitosan. The adsorption property of the azacrown ether chitosan for Pb2+, Cr3+, and Ag+, were determined. The experimental results showed that the dihydroxyl azacrown ether grafted chitosan has high adsorption capacity and high selectivity for some metal ions.

Characteristics and mechanism of Ni^(2+)and Cd^(2+)adsorption by recovered perlite from agar extraction residue

Ni^(2+)and Cd^(2+)in wastewater accumulated through the ecological chain and could jeopardize human health.Adsorption of Ni^(2+)and Cd^(2+)from wastewater using recovered perlite was an important way to solve the problem of resource utilization of solid waste from agar production.Our previous study confirmed that recovered perlite from agar extraction residue had better pore size and specific surface area than commercial perlite.However,the adsorption efficiency and adsorption mechanism of recovered perlite were the main factors limiting its adsorption application.The adsorption process of Ni^(2+)and Cd^(2+)by recovered perlite in aqueous solution was described by the pseudo-second-order kinetic equation,and the relevant adsorption mechanism was mainly chemisorption.Compared with commercial perlite,the adsorption removal rate of Ni^(2+)and Cd^(2+)by enzymatic recovered perlite could reach 92.9%and 89.2%,respectively,and were improved by 12.63%and 13.03%.Langmuir isothermal adsorption model could better describe the isothermal adsorption process of recovered perlite on heavy metal Ni^(2+)and Cd^(2+),and the relevant adsorption mechanism was mainly monolayer adsorption.The X-ray photoelectron spectroscopy(XPS)results indicated that the decrease of Si—O Si^(2+)hydroxyl coordination bond and the increase of C—Si bond might make the binding effect of recovered perlite with heavy metals stronger.The competitive adsorption of Ni^(2+)and Cd^(2+)by recovered perlite was still dominated by chemisorption and monolayer adsorption.This study was expected to provide a theoretical basis and technical support for the removal of Ni^(2+)and Cd^(2+)from wastewater using recovered perlite from seaweed residue.

Synthesis of Li^+ adsorbent(H_2TiO_3) and its adsorption properties

H2TiO3 was obtained from the acid-modified adsorbent precursor Li2TiO3,which was synthesized by a solid-phase reaction between TiO2 and Li2CO3.The extraction ratio of Li＋ from Li2TiO3 was 98.86%,almost with no Ti4＋ extracted.The effects of lithium titanium ratio,calcining temperature and time were investigated on the synthesis of Li2TiO3.Li2TiO3,H2TiO3 and the adsorbed Li＋ adsorbent were characterized by XRD and SEM.The lithium adsorption properties were investigated by the adsorption kinetics and adsorption isotherm.The results indicate that H2TiO3 has an excellent adsorptive capacity for Li＋.Two simplified kinetic models including the pseudo-first-order and pseudo-second-order equations were selected to follow the adsorption processes.The rate constants of adsorption for these kinetic models were calculated.The results show that the adsorption process can be described by the pseudo-second-order equation,and the process is proved to be a chemical adsorption.The adsorption process that H2TiO3 adsorbs Li＋ in LiCl solution well fits the Langmuir equation with monolayer adsorption.

Thermal decomposition of magnesium ammonium phosphate and adsorption properties of its pyrolysis products toward ammonia nitrogen

High-purity magnesium ammonium phosphate （MAP） was precipitated by controlling pH value of the reaction system of 9.0-9.5. The thermal decomposition behavior of MAP and the adsorption properties of its pyrolysis products toward ammonia-nitrogen were also studied by XRD, SEM, TGA-DTA and FT-IR methods. The results indicated that high-purity MAP was obtained at pH value of 9.0-9.5. Upon heating to 100-120℃ for 120 min, MAP was thermally decomposed, losing water and ammonia concomitantly with a reduction in grain size and crystallinity. The capacity of pyrolysis products for ammonia nitrogen adsorption reached 72.5 mg/g, with a removal rate of up to 95% from an 800 mg/L solution. The characteristic diffraction peaks corresponding to MAP mainly appeared in their XRD patterns after adsorption of ammonia nitrogen. The pyrolysis products of MAP at 100-120 ℃ could be recycling-used as the chemical treatment regents of ammonia nitrogen in the practical application.

Preparation of activated carbons and their adsorption properties for greenhouse gases:CH_4 and CO_2

Three kinds of activated carbons were prepared using coconut-shells as carbon precursors and characterized by XRD, FT-IR and texture property test. The results indicate that the prepared activated carbons were mainly amorphous and only a few impurity groups were adsorbed on their surfaces. The texture property test reveals that the activated carbons displayed different texture properties, especially the micropore size distribution. The adsorption capacities of the activated carbons were investigated by adsorbing CH4, CO2, N2 and O2 at 25 ？C in the pressure range of 0-200 kPa. The results reveal that all the activated carbons had high CO2 adsorption capacity, one of which had the highest CO2 adsorption value of 2.55 mmol/g at 200 kPa. And the highest adsorption capacity for CH4 of the activated carbons can reach 1.93 mmol/g at 200 kPa. In the pressure range of 0-200 kPa, the adsorption capacities for N2 and O2 were increased linearly with the change of pressure and K-AC is an excellent adsorbent towards the adsorption separation of greenhouse gases.

Theoretical study of small Mo clusters and molecular nitrogen adsorption on Mo clusters

This paper studies the small molybdenum clusters of Mon （n=2 8） and their adsorption of N2 molecule by using the density functional theory （DFT） with the generalized gradient approximation. The optimized structures of Mon clusters show the onset of a structural transition from a close-packed structure towards a body-centred cubic structure occurred at n = 7. An analysis of adsorption energies suggests that the Mo2 is of high inertness and Mo6 cluster is of high activity against the adsorption of N2. Calculated results indicate that the N2 molecule prefers end-on mode by forming a linear or quasi-linear structure Mo-N-N, and the adsorption of nitrogen on molybdenum clusters is molecular adsorption with slightly elongated N-N bond. The electron density of highest occupied molecular orbital and lowest unoccupied molecular orbital, and the partial density of states of representative cluster are also used to characterize the adsorption properties of N2 on the sized Mon clusters.

Template synthesis and adsorption properties of chitosan salicylal Schiff bases

To improve the adsorption properties of chemically modified chitosan, the chelating resin of salicylal chitosan Schiff bases was prepared by the template cross-linking method using Cu（Ⅱ） as template ion and ethylene glycol bisglycidyl ether as cross-linking agent in microwave, and was characterized by IR. The adsorption capacity and selectivity coefficient of the chemically modified chitosan for Cu（Ⅱ）, Fe（Ⅲ） and Zn（Ⅱ） were investigated, respectively. The results show that the adsorption capacity of the resin 2.73 mmol/g for Cu（Ⅱ） is bigger than that for other two metal ions, 0.22 mmol/g for Fe（Ⅲ）, and 0.42 mmol/g for Zn（Ⅱ）, and the selectivity coefficients are as follows: KCu（Ⅱ）/Fe（Ⅲ）=12.4, KCu（Ⅱ）/Zn（Ⅱ）=6.5.

Comparable Studies of Adsorption and Magnetic Properties of Ferrite MnFe_2O_4 Nanoparticles,Porous Bulks and Nanowires

The spinel ferrites MnFe2O4 nanowires were synthesized by hydrothermal route,porous MnFe2O4 and nanoparticles morphologies were synthesized by sol-gel method with egg white.The structures,morphologies,magnetic properties and adsorption properties of these obtained ferrites with different morphologies were studied contrastively.Results show that the obtained samples exhibit ferromagnetic properties.This realizes convenient magnetic separation from solution when they are used in the treatment of organic dyes wastewater.However,the contrastive studies show that the saturation magnetizations（Ms） of MnFe2O4 with different morphologies are different and the Ms follows the order：Ms（porous）〈Ms（nanoparticles）〈Ms（nanowires）.In addition,the adsorptions of methylene blue（MB） onto these ferrites depend on ferrites＇ morphologies seriously.The adsorption rate of MB on the porous MnFe2O4 is much higher than those onto the other two samples because the porous structure can provide high efficient mass transport through the pores.

Influences of Soluble Salts on Adsorption Properties of Polycarboxylate Superplasticizers

Polycarboxylate（PC） superplasticizers with different chemical structures were synthesized through free radical co-polymerization reaction.A total organic carbon analyzer was used to investigate adsorption behaviors of PCs,and to evaluate influences of soluble salts on absorption properties of PCs.It is found that adsorption ratios of PCs on cement particles decrease greatly with the addition of Na2SO4;the adsorption ratio of ethers PC with Hydroxyethyl methacrylate（HEMA） group first increases then decreases with the addition of NaCl;the adsorption ratio of esters PC with short side chains first decreases then increases,while the adsorption ratio of ethers PC with HEMA group decreases with the addition of CaCl2;the adsorption ratio of esters PC with short side chains decreases with the addition of Ca（NO3）2;AlCl3 causes the decrease of the adsorption ratio of ethers PC with HEMA group.

Microwave hydrothermal synthesis,characterization and excellent uranium adsorption properties of CoFe_(2)O_(4)@rGO nanocomposite

To improve the adsorption performance and simplify uranium separation from aqueous media in post-treatment processes,a magnetic CoFe_(2)O_(4)@rGO composite was synthesized by microwave-hydrothermal method.The results of XRD,Raman,TEM/HRTEM,FTIR,BET and VSM characterization show that spinel-type cobalt ferrite CoFe_(2)O_(4) nanoparticles ca.13.4 nm in size are dispersedly anchored on the graphene sheet,and the saturation magnetization of the nanocomposite is 46.7 mA/(m^(2)·g).The effects of different pH,initial concentration and other conditions on uranium adsorption capacity were investigated,and adsorption kinetics equations were fitted to determine the adsorption behaviour of uranium on CoFe_(2)O_(4)@rGO in simulated uranium-containing seawater.It was observed that the uranium adsorption capacity of CoFe_(2)O_(4)@rGO composite at pH=5 is 127.6 mg/g,which is 1.31 and 2.43 times that of rGO and pure CoFe_(2)O_(4).The adsorption process conforms to Langmuir and quasi-second-order kinetic model.The excellent adsorption performance of CoFe_(2)O_(4)@rGO makes it potentially useful in the treatment of uranium-polluted water.

Experimental and Theoretical Study of the Effect of Moisture on Methane Adsorption and Desorption by Activated Carbon at 273.5 K

Adsorption and desorption of methane by activated carbon （AC） at constant temperature and at various pressures were investigated. The effect of moisture was also studied. A volumetric method was used, up to 40 bar, at a temperature of 273.5 K. Results of a dry AC sample were compared with those obtained from a moist sample and two different ACs with different physical and surface properties were used. As expected, the results showed that the existence of moisture, trapped in the AC pores, could lead to a decrease in the amount of methane adsorbed and a decrease in the amount of methane delivered during desorption. To model the experimental results, a large variety of adsorption isotherms were used. The regressed parameters for the adsorption isotherms were obtained using the experimental data generated in the present study. The accuracy of the results obtained from the different adsorption isotherms was favorably compared.

Comparison and Analysis of Toluene Adsorption Properties of ZSM-5 Molecular Sieve Treated by Different Modification Methods: Adsorption Kinetic and Mechanism Studies

MFI molecular sieve with high specific surface area,adjustable pore size and low production cost have been recognized as an effective adsorbent for VOCs removal.In this paper,NaOH solution was used to etch ZSM-5 to increase specific surface area and micro-mesoporous content.Graphene oxide(GO)was loaded on ZSM-5 by ultrasonic-assisted heating immersion method,and largeπ-bond structure and oxygen-containing functional groups were added to ZSM-5 for improving the composite adsorption performance.In addition,the properties of OH-ZSM-5 and ZSM-5@GO composites for toluene adsorption under different factors were also studied.It was positively correlated with initial concentration and adsorbent mass,but was negatively correlated with temperature.Meanwhile,the results showed that the saturated adsorption capacity of OH-ZSM-5(107.3 mg/g)was 1.34 times higher than that of ZG-15%(80.2 mg/g).The pseudo-first-order and pseudo-second-order kinetic model can well describe the adsorption behavior of toluene on the OH-ZSM-5 and ZG-15%,respectively.The adsorption mechanism of OH-ZSM-5 was mainly pore-filled adsorption.However,the adsorption mechanisms of ZSM-5@GO composite were pore-filled adsorption,π-πinteraction,and H-bond interaction.This study will help to design a new strategy for enhancing the performance of traditional adsorbent ZSM-5 in VOCs removal.

Study of Dibenzothiophene Adsorption Over Carbon Nanotube Supported CoMo HDS Catalysts

Adsorption properties of dibenzothiophene (DBT) on a CNT (carbon nanotube) support as well as on CoMoS/CNT and CoMoO/CNT catalysts have been studied. Consecutive desorption of adsorbates was measured by TGA. The commonly used carriers AC (activated carbon), γ-Al_2O_3, and their supported catalysts (CoMoO/AC, CoMoS/AC, CoMoO/γ-Al_2O_3, CoMoS/γ-Al_2O_3)were also subjected to analysis for comparison. The acidic properties of the samples were characterized using the NH_3-TPD technique. Correlation between the adsorption of DBT and the acidic properties of the catalysts has been established. It was found that the Co-Mo catalysts in the sulfide state adsorbed much more DBT molecules than the corresponding Co-Mo catalysts in the oxide state. The CoMoS/CNT catalyst exhibited very high HDS activity and selectivity, as compared with the CoMoS/γ-Al)_2O_3 catalysts. Based on the BET data and the high hydrogenolysis/hydrogenation selectivity of the CoMoS/CNT, it was deduced that more than 90% of the DBT molecules adsorbed on the CoMoS/CNT with an end-on mode, and the surface of the CoMoS/CNT catalyst was almost fully covered with DBT molecules. Although the AC support had very high surface area and high loading ability, the AC supported CoMoS catalyst showed lower HDS activity, as compared with the CoMoS/γ-Al_2O_3 catalyst.

SYNTHESES AND ADSORPTION PROPERTIES OF POLYMER RESINS CONTAINING BENZIDINE AND ITS DERIVATIVES

Three chelating resins were prepared by reacting poly (beta-chloroethyl glycidyl ether) with benzidine, o-tolidine and o-dianisidine respectively, and their structures were confirmed by IR spectra and elementary analyses. The adsorption properties of the resins for Au(III), pd(II), Pt(IV), Hg(II), Cu(II), Pb(II) and Zn(II) were also investigated. The results show that the resin incorporating o-dianisidine exhibits high affinity for Au(III) within a broad range of hydrochloric acid, and selectively sorbs Au(III) in the coexistance of Cu(II), Zn(II) and Mg(II). Desorption of Au(III), Pd(II) and Pt(IV) sorbed proceeded quantitatively using 0.1 mol/l hydrochloric acid containing 2%-10% thiourea as desorbents.

Sensitizing Mechanism and Adsorption Properties of Dye-sensitized TiO_2 Thin Films

The dye-sensitized TiO2 complex films were prepared by the dye coat onto TiO2 surfaces, and the sensitizing mechanism and adsorption properties of the dye-sensitized TiO2 complex films were investigated. The influence of the application conditions of dye adsorbed on TiO2 films on the amount of dye adsorption was discussed. Experimental results show that the concentration, the temperature of dye solutions and the dipping time of TiO2 films in the dye solutions have a significant influence on the amount of dye adsorption. Cell test indicates that the conversion efficiency of light to electricity increases with the amount of dye adsorption.

Activated Carbon Adsorption Properties of the Residual Matters in Textile Dyeing and Printing Secondary Effluent

The research employed the adsorption isotherm measurement, the batch kinetic adsorption and the rapid small-scalecarbon column test （RSSCT） to find out the characteristics and main impacting factors of＇granular activated carbon （GAC） adsorption, in treating the textile dyeing-printing/polyester alkali de-weighting secondary effluent （TSE）. The adsorption affinities and capacities for the organics surrogated by CODCr, color and UV254 （UV absorbency-at λ= 254 nm） predicted by isotherm, small- seale-fixed bed were discussed. ＇Adsorption rates for CODCr, color and UV254 are much different and carbon particle size dependent. The color adsorption rate and capacity should be taken as the main consideration factors in designing bioactivated carbon filter（BACF）. The breakthrough of GAC adsorption column is mainly influenced by the low MW readily adsorbable organics in TSE. UV254, is a good adsorption breakthrough indicator. The study provides references for BACFs＇ design and operation control in textile secondary effluent （TSE） tertiary treatment.

The Competitive Adsorption Characteristics of Welan Gum and Superplasticizer in Cement Mortar

Welan gum has been widely used in oil cement and grouting materials for its excellent rheological properties and anti-bleeding,and most of all,being friendly to the environment.However,when welan gum was added,the fluidity of mortar decreased sharply,so it should be used together with a superplasticizer to enable good workability.With its powerful charge density in the molecular structure,the competitive adsorption between welan gum and other admixtures happened remarkably during the addition process.Consequently,we experimentally studied on the bleeding rate and rheological properties of cement slurry,fluidity and mechanical properties of mortar with welan gum mixed with superplasticizer,aiming at understanding the competitive adsorption phenomenon by application of welan gum mixed with superplasticizer.By measuring the hydration heat and zeta potential,the mechanism of interaction of welan gum with superplasticizer was deduced and explained.The results showed that it could ensure a good dispersion effect when welan gum is mixed with the two kinds of superplasticizer.Welan gum had little impact on the naphthalene superplasticizer,but did have a substantial influence on polycarboxylate.In practice,adding welan gum after PCE acted with cement for 2 min could effectively avoid the competitive adsorption and then achieve better performance.On this viewpoint for mortar with PCE,new delay release welan gum needs further research and development.

PREPARATION OF ACTIVATED CARBON FIBER AND THEIR XENON ADSORPTION PROPERTIES (III)-ADSORPTION ON MODIFIED ACTIVATED CARBON FIBER

Structures of a series of activated carbon fibers were modified by impregnating them with organic and inorganic materials such as Methylene blue(Mb)、p-nitrophenol (PNP)、NaCl or by oxidizing with KMnO4 or HNO3. The influence of pore filling or chemical treatment on their xenon adsorption properties was studied. The experimental results show that Mb and PNP filling of activated carbon fibers result in the decrease of xenon adsorption capacities of these treated ACFs, which is due to the decrease of their surface area and micro-pore volume. However, the adsorption capacity increases greatly with oxidizing treatment of activated carbon fibers by 7mol/L HNO3.