Soil column liquid chromatography (SCLC) was developed to determine soil organic carbon adsorption coefficients (E-oc) for chemicals. The uptake by soil of pesticides from water can be conveniently calculated from the...Soil column liquid chromatography (SCLC) was developed to determine soil organic carbon adsorption coefficients (E-oc) for chemicals. The uptake by soil of pesticides from water can be conveniently calculated from the related breakthrough curves (BTC). The nine pesticides chosen for determination in this study are soluble ones, with their water solubility ranging from 62 mg/L to Z mg/L. In comparing with existing methods of K-oc, SCLC possesses rapid, online and accurate characteristics.展开更多
This work investigated the effect of granular activated carbon adsorption (GACA) on fluorescence characteristics of dissolved organic matter (DOM) in secondary effluent, by means of excitation-emission matrix (EE...This work investigated the effect of granular activated carbon adsorption (GACA) on fluorescence characteristics of dissolved organic matter (DOM) in secondary effluent, by means of excitation-emission matrix (EEM) spectra, the fluorescence regional integra- tion (FRI) method, synchronous spectra, the fluorescence index defined as the ratio of fluorescence emission intensity at wavelength 450nm to that at 500nm at excitation (λex)= 370 am, and the wavelength that corre- sponds to the position of the normalized emission band at its half intensity (λ0.5). DOM in the secondary effluent from the North Wastewater Treatment Plant (Shenyang, China) was fractionated using XAD resins into 5 fractions: hydrophobic acid (HPO-A), hydrophobic neutral (HPO- N), transphilic acid (TPI-A), transphi|ic neutral (TPI-N) and hydrophilic fraction (HPI). Results showed that fluorescent materials in HPO-N and TPI-N were less readily removed than those in the other fractions by GACA. The relative content of fluorescent materials in HPO-A, TPI-A and HPI decreased whereas that in HPO- N and TPI-N increased as a consequence of GACA. Polycyclic aromatics in all DOM fractions were preferen- tially absorbed by GACA, in comparison with bulk DOM expressed as DOC. On the other hand, the adsorption of aromatic amino acids and humic acid-like fluorophores exhibiting fluorescence peaks in synchronous spectra by GACA seemed to be dependent on the acid/neutralproperties of DOM fractions. All five fractions had decreased fluorescence indices as a result of GACA. GACA led to a decreased λ0.5 value for HPO-A, increased ,λ0.5 values for HPO-N, TPI-A and HPI, and a consistent λ0.5 value for TPI-N.展开更多
Metal-organic frameworks (MOFs) have attracted much attention as adsorbents for the separation of CO2 from flue gas or natural gas. Here, a typical metal-organic framework HKUST-I(also named Cu-BTC or MOF-199) was...Metal-organic frameworks (MOFs) have attracted much attention as adsorbents for the separation of CO2 from flue gas or natural gas. Here, a typical metal-organic framework HKUST-I(also named Cu-BTC or MOF-199) was chemically reduced by doping it with alkali metals (Li, Na and K) and they were further used to investigate their CO2 adsorption capacities. The structural information, surface chemistry and thermal behavior of the prepared adsorbent samples were characterized by X-ray powder diffraction (XRD), thermo-gravimetric analysis (TGA) and nitrogen adsorption-desorption isotherm analysis. The results showed that the CO2 storage capacity of HKUST-1 doped with moderate quantities of Li+, Na+ and K+, individually, was greater than that of unmodified HKUST-1. The highest CO2 adsorption uptake of 8.64 mmol/g was obtained with 1K-HKUST-1, and it was ca. 11% increase in adsorption capacity at 298 K and 18 bar as compared with HKUST- 1. Moreover, adsorption tests showed that HKUST-1 and 1K-HKUST-1 displayed much higher adsorption capacities of CO2 than those of N2. Finally, the adsorption/desorption cycle experiment revealed that the adsorption performance of 1K-HKUST-1 was fairly stable, without obvious deterioration in the adsorption capacity of CO2 after 10 cycles.展开更多
In the present work, the behavior of folic acid (FA) molecule adsorbed onto single-walled carbon nanotube (SWCNT) was examined using the DFT-B3LYP/6-31G* level. In order to obtain information about the binding fe...In the present work, the behavior of folic acid (FA) molecule adsorbed onto single-walled carbon nanotube (SWCNT) was examined using the DFT-B3LYP/6-31G* level. In order to obtain information about the binding features of SWCNT as adsorbent with FA molecule, several studies, including the structural and electronic parameters and also the Atoms in Molecules (AIM) analysis, were performed. It was observed that the FA molecule via hydrogen bond prefers to adsorb on SWCNT with adsorption energy of about -18.70 kcal/mol. The molecular orbitals (HOMO and LUMO), natural bond orbital (NBO),analysis, and density of states (DOS) plot indicated that a charge about 0.032 [ e [ is transferred from the FA molecule to the nanotube. After solvation energy calculations, it was found that the presence of a polar solvent causes an increase in FA adsorption on the single-walled carbon nanotube. Topological features such as electron energy density (Hc) and Laplacian of the electron density (V2p~) demonstrate partial covalent nature for H(ll6)...O(10) interaction in the FA/SWCNT complex. According to the calculated results, the single-walled carbon nanotubes are expected to be a potential efficient adsorbent for the adsorption of folic acid drug and also can be used as a suitable drug delivery vehicle within biological systems.展开更多
Adsorption is an important process in wastewater treatment,and conversion of waste materials to adsorbent offers a solution to high material cost related to the use of commercial activated carbon.This study investigat...Adsorption is an important process in wastewater treatment,and conversion of waste materials to adsorbent offers a solution to high material cost related to the use of commercial activated carbon.This study investigated the adsorption behaviour of Reactive Black 5(RB5)and methylene blue(MB)onto activated carbon produced from textile sludge(TSAC).The activated carbon was synthesized through chemical activation of precursor followed with carbonization at 650℃ under nitrogen flow.Effects of time(0–200 min),pH(2–10),temperature(25–60℃),initial dye concentration(0–200 mg·L^-1),and adsorbent dosage(0.01–0.15 g)on dye removal efficiency were investigated.Preliminary screening revealed that TSAC synthesized via H2SO4activation showed higher adsorption behaviour than TSAC activated by KCl and ZnCl2.The adsorption capacity of TSAC was found to be 11.98 mg·g^-1(RB5)and 13.27 mg·g^-1(MB),and is dependent on adsorption time and initial dye concentration.The adsorption data for both dyes were well fitted to Freundlich isotherm model which explains the heterogeneous nature of TSAC surface.The dye adsorption obeyed pseudo-second order kinetic model,thus chemisorption was the controlling step.This study reveals potential of textile sludge in removal of dyes from aqueous solution,and further studies are required to establish the applicability of the synthesized adsorbent for the treatment of waste water containing toxic dyes from textile industry.展开更多
Walnut-shellactivated carbons(WSACs)were prepared by the KOH chemicalactivation.The effects of carbonization temperature,activation temperature,and ratio of KOH to chars on the pore development of WSACs were investi...Walnut-shellactivated carbons(WSACs)were prepared by the KOH chemicalactivation.The effects of carbonization temperature,activation temperature,and ratio of KOH to chars on the pore development of WSACs were investigated.Fourier transform infrared spectroscopy(FTIR),X-ray powder diffraction(XRD),and scanning electron microscopy(SEM)were employed to characterize the microstructure and morphology of WSACs.Methanoladsorption performance onto the optimalWSAC and the coal-based AC were also investigated.The results show that the optimalpreparation conditions are a carbonization temperature of 700 ℃,an activation temperature of 700 ℃,and a mass ratio of 3.The BET surface area,the micropore volume,and the micropore volume percentage of the optimalWASC are 1636 m^2/g,0.641 cm^3/g and 81.97%,respectively.There are a lot of micropores and a certain amount of meso-and macropores.The characteristics of the amorphous state are identified.The results show that the optimalWSAC is favorable for methanoladsorption.The equilibrium adsorption capacity of the optimalWSAC is 248.02mg/g.It is shown that the equilibrium adsorption capacity of the optimalWSAC is almost equivalent to that of the common activated carbon.Therefore the optimalWSAC could be a potentialadsorbent for the solar energy adsorption refrigeration cycle.展开更多
A simplified model was developed to describe the water vapor adsorption on activated carbon. The development of the simplified model was started from the original model proposed by DO and his co-workers. Two different...A simplified model was developed to describe the water vapor adsorption on activated carbon. The development of the simplified model was started from the original model proposed by DO and his co-workers. Two different kinds of carbon materials were prepared for water vapor adsorption, and the adsorption experiments were conducted at different temperatures(20-50 °C) and relative humidities(5%-99%) to test the model. It is shown that the amount of adsorbed water vapor in micropore decreases with the temperature increasing, and the water molecules form larger water clusters around the functional group as the temperature is up to a higher value. The simplified model describes reasonably well for all the experimental data. According to the fitted values, the parameters of simplified model were represented by the temperature and then the model was used to calculate the water vapor adsorption amount at 25 °C and 35 °C. The results show that the model can get relatively accurate values to calculate the water vapor adsorption on activated carbon.展开更多
By using potassium permanganate impregnation method,common activated carbon was processed in 0. 079 mol/L KMnO4 solution at 650℃ to obtain modified activated carbon loaded with manganese oxide,and then different quan...By using potassium permanganate impregnation method,common activated carbon was processed in 0. 079 mol/L KMnO4 solution at 650℃ to obtain modified activated carbon loaded with manganese oxide,and then different quantities of common activated carbon and modified activated carbon were used to adsorb 0. 3 mg/m^3 formaldehyde. The results showed that carbon and manganese atoms on the surface of modified activated carbon could adsorb formaldehyde,and the removal rate of 0. 3 mg/m^3 formaldehyde by 30 g of modified activated carbon reached 80%,increased one time compared with that by common activated carbon. Different amounts of activated carbon had various effects on the adsorption of formaldehyde,and the best usage of common activated carbon and modified activated carbon was 100 and 30 g respectively.展开更多
A batch experiment was conducted to investigate the adsorption of an acid dye(Acid Orange 51) and a basic dye(Safranine) from aqueous solutions by the sludge-based activated carbon(SBAC). The results show that the ads...A batch experiment was conducted to investigate the adsorption of an acid dye(Acid Orange 51) and a basic dye(Safranine) from aqueous solutions by the sludge-based activated carbon(SBAC). The results show that the adsorption of Acid Orange 51 decreases at high p H values, whereas the uptake of Safranine is higher in neutral and alkaline solutions than that in acidic conditions. The adsorption time needed for Safranine to reach equilibrium is shorter than that for Acid Orange 51. The uptakes of the dyes both increase with temperature increasing, indicating that the adsorption process of the dyes onto SBAC is endothermic. The equilibrium data of the dyes are both best represented by the Redlich-Peterson model. At 25 °C, the maximum adsorption capacities of SBAC for Acid Orange 51 and Safranine are 248.70 mg/g and 525.84 mg/g, respectively. The Elovich model is found to best describe the adsorption process of both dyes, indicating that the rate-limiting step involves the chemisorption. It can be concluded that SBAC is a promising material for the removal of Acid Orange 51 and Safranine from aqueous solutions.展开更多
The influence of small organics on the adsorption characteristics of activated carbon produced from industrial pyrolytic tire char(APTC)for malachite green(MG) was investigated by a batch method. Phenol was chosen as ...The influence of small organics on the adsorption characteristics of activated carbon produced from industrial pyrolytic tire char(APTC)for malachite green(MG) was investigated by a batch method. Phenol was chosen as the representative of small organics. The effects of phenol on adsorption equilibrium, kinetics and thermodynamics were studied systematically. The results indicate that APTC is a potential adsorbent for MG. The presence of phenol decreases the adsorption capacity of APTC for MG, but improves the rate of adsorption, while the adsorption characteristics, such as equilibrium, kinetics and thermodynamics are not affected by phenol. The adsorption equilibrium data follow Langmuir isotherm and the kinetic data are well described by the pseudo-second-order kinetic model. The adsorption process follows intra-particle diffusion model and the adsorption rate is determined by more than one process. Thermodynamic study shows that the adsorption is an endothermic and spontaneous physisorption process.展开更多
The adsorption behavior of CO_2, CH_4 and their mixtures in bituminous coal was investigated in this study. First, a bituminous coal model was built through molecular dynamic(MD) simulations, and it was confirmed to b...The adsorption behavior of CO_2, CH_4 and their mixtures in bituminous coal was investigated in this study. First, a bituminous coal model was built through molecular dynamic(MD) simulations, and it was confirmed to be reasonable by comparing the simulated results with the experimental data. Grand Canonical Monte Carlo(GCMC)simulations were then carried out to investigate the single and binary component adsorption of CO_2 and CH_4with the built bituminous coal model. For the single component adsorption, the isosteric heat of CO_2 adsorption is greater than that of CH_4 adsorption. CO_2 also exhibits stronger electrostatic interactions with the heteroatom groups in the bituminous coal model compared with CH_4, which can account for the larger adsorption capacity of CO_2 in the bituminous coal model. In the case of binary adsorption of CO_2 and CH_4mixtures, CO_2 exhibits the preferential adsorption compared with CH_4 under the studied conditions. The adsorption selectivity of CO_2 exhibited obvious change with increasing pressure. At lower pressure, the adsorption selectivity of CO_2 shows a rapid decrease with increasing the temperature, whereas it becomes insensitive to temperature at higher pressure. Additionally, the adsorption selectivity of CO_2 decreases gradually with the increase of the bulk CO_2 mole fraction and the depth of CO_2 injection site.展开更多
Adsorption and desorption of gold on the magnetic activated carbon (MAC) were investigated The adsorption rate of gold is higher than that of conventional coconut carbon in cyanide leach solution The loading gold can ...Adsorption and desorption of gold on the magnetic activated carbon (MAC) were investigated The adsorption rate of gold is higher than that of conventional coconut carbon in cyanide leach solution The loading gold can be easily desorbed as coconut carbon. Crushed fine magnetic carbon can be selected by a magnetic separator, It is suggested that the MAC can be used in carbon-in-pulp (CIP)process for increasing the recovery rate of gold展开更多
The adsorption behavior of folic acid onto(5,0) zigzag and(5,5) armchair carbon nanotube(SWCNT) has been investigated using B3 LYP density functional at the 6-31G* level. The adsorption energies,molecular orbit...The adsorption behavior of folic acid onto(5,0) zigzag and(5,5) armchair carbon nanotube(SWCNT) has been investigated using B3 LYP density functional at the 6-31G* level. The adsorption energies,molecular orbital analysis and structural changes at the adsorption site are indicative of covalent adsorption on the zigzag SWCNT surface,while the adsorption is physical on the armchair SWCNT surface. The density of states(DOS) Plot and the quantum molecular descriptors(QMD) are witness to the significant changes in the electronic properties of SWCNT systems after the attachment of adsorbed species to the tube surface. According to the calculated results,the single-walled carbon nanotubes are expected to be a potential efficient adsorbent for the adsorption of folic acid drug and also can be used as a suitable drug delivery vehicle within biological systems.展开更多
Using density functional theory, noncovalent interactions and two mechanisms of covalent functionalization of drug carmustine with functionalized carbon nanotube(CNT) have been investigated. Quantum molecular descri...Using density functional theory, noncovalent interactions and two mechanisms of covalent functionalization of drug carmustine with functionalized carbon nanotube(CNT) have been investigated. Quantum molecular descriptors of noncovalent configurations were studied. It was specified that binding of drug carmustine with functionalized CNT is thermodynamically suitable. NTCOOH and NTCOCl can bond to the NH group of carmustine through OH(COOH mechanism) and Cl(COCl mechanism) groups, respectively. The activation energies, activation enthalpies and activation Gibbs free energies of two pathways were calculated and compared with each other. The activation parameters related to COOH mechanism are higher than those related to COCl mechanism, and therefore COCl mechanism is suitable for covalent functionalization. COOH functionalized CNT(NTCOOH) has more binding energy than COCl functionalized CNT(NTCOCl) and can act as a favorable system for carmustine drug delivery within biological and chemical systems(noncovalent). These results could be generalized to other similar drugs.展开更多
Support vector regression (SVR) combined with particle swarm optimization for its parameter optimization is employed to establish a model for predicting the Henry constants of multi-walled carbon nanotubes (MWNTs)...Support vector regression (SVR) combined with particle swarm optimization for its parameter optimization is employed to establish a model for predicting the Henry constants of multi-walled carbon nanotubes (MWNTs) for adsorption of volatile organic compounds (VOCs). The prediction performance of SVR is compared with those of the model of theoretical linear salvation energy relationship (TLSER). By using leave-one-out cross validation of SVR test Henry constants for adsorption of 35 VOCs on MWNTs, the root mean square error is 0.080, the mean absolute percentage error is only 1.19~, and the correlation coefficient (R2) is as high as 0.997. Compared with the results of the TLSER model, it is shown that the estimated errors by SVR are ali smaller than those achieved by TLSER. It reveals that the generalization ability of SVR is superior to that of the TLSER model Meanwhile, multifactor analysis is adopted for investigation of the influences of each molecular structure descriptor on the Henry constants. According to the TLSER model, the adsorption mechanism of adsorption of carbon nanotubes of VOCs is mainly a result of van der Waals and interactions of hydrogen bonds. These can provide the theoretical support for the application of carbon nanotube adsorption of VOCs and can make up for the lack of experimental data.展开更多
The adsorption of decylmethylsulfoxide(DEMS)onto carbon black and the effects of temperature,salt(NaCl)and acid (HCl)have been measured.Typical two plateaux type adsorption isotherms were obtained.Applying the two ste...The adsorption of decylmethylsulfoxide(DEMS)onto carbon black and the effects of temperature,salt(NaCl)and acid (HCl)have been measured.Typical two plateaux type adsorption isotherms were obtained.Applying the two step model of surfactant adsorption on solid/liquld interface and the general adsorption isotherm equation[9]the experimental results were interpreted qualitatively and quantitatively.展开更多
The study deals with adsorption of Naphthol Green B on two unburned carbons and the parent coal,from which the UCs have been created in a fluidised-bed power station.Particular attention has been paid to the adsorptio...The study deals with adsorption of Naphthol Green B on two unburned carbons and the parent coal,from which the UCs have been created in a fluidised-bed power station.Particular attention has been paid to the adsorption equilibrium modelling:experimental data has been analysed using 2-parameter(Langmuir,Freundlich) and3-parameter(Redlich-Peterson) isotherms — both linear and non-linear regressions have been used for the estimation of the isotherm parameters.In the case of both UCs,the Langmuir isotherm model provides the worst fit,whereas 2-parameter Freundlich and 3-parameter Redlich-Peterson models are both good,from which 3-parameter Redlich-Peterson isotherm provides slightly better results(despite the penalty used for the higher number of parameters).In the case of both UCs,the linear regression of Freundlich and Redlich-Peterson models provides good results(comparable with non-linear regressions).Unlike both UCs,the best fit of the experimental data from the adsorption on the coal has been achieved by the Langmuir isotherm model.The results based on the Freundlich or Redlich-Peterson model were(in this case) somewhat worse.展开更多
The adsorplion behavior of dyes on a variety of sisal based activated carbonfibers (SACF) has been studied in this paper The results show that this kind of ACFhas excellent adsorption capacities for some organic (dye)...The adsorplion behavior of dyes on a variety of sisal based activated carbonfibers (SACF) has been studied in this paper The results show that this kind of ACFhas excellent adsorption capacities for some organic (dye) molecules. SACF canremove nearly all methylene blue, crystal violet, bromophenol blue and Eriochromeblue black R from water after static adsorption for 24 h. at 30℃ The adsorptionamounts can reach more than 400 mg/g when adding 50 mg SACF into 50 ml dyesolution. Under the same conditions, the absorption amounts of xylenol orangefluorescein and Eriochrome black T were lower On the other hand, the adsorptionamounts change along with the characteristics of adsorbents. The SACFs activatedabove 840 ℃ which have higher specific surface areas and wider pore radii, havehigher adsorption amounts for the dyes. The researching results also show that foeadsorption rates of dyes onto SACFs decrease by the order of methylene blue,Eriochrome blue black R and crystal violet.展开更多
Recently, Hsieh and Horng [1] published the paper entitled as above. In section 3 results and discussion, the authors mentioned the first and the second order kinetic models without any quotations. In fact these two k...Recently, Hsieh and Horng [1] published the paper entitled as above. In section 3 results and discussion, the authors mentioned the first and the second order kinetic models without any quotations. In fact these two kinetic models have been published [2-5]. In order to distinguish a kinetics model based on the ad- sorption capacity of a solid from the one based on the concentration of a solution, Lagergren's first-order rate equation has been called pseudo-first-order [6-7]. The Lagergren's equation has been widely cited, but there are far more mistakes made in the quotation and in the reference section of papers, including the title, the author's name, journal title, year of publishing, volume, and page number [3]. In addition, the second order kinetic expression for the adsorption systems of divalent metal ions using sphagnum moss peat has been reported by Ho [8].展开更多
This study presents the use of chicken eggshells waste utilizing palm kernel shell based activated carbon(PKSAC) through the modification of their surface to enhance the adsorption capacity of H2S. Response surface ...This study presents the use of chicken eggshells waste utilizing palm kernel shell based activated carbon(PKSAC) through the modification of their surface to enhance the adsorption capacity of H2S. Response surface methodology technique was used to optimize the process conditions and they were found to be: 500 mg/L for H2S initial concentration, 540 min for contact time and 1 g for adsorbent mass. The impacts of three arrangement factors(calcination temperature of impregnated activated carbon(IAC), the calcium solution concentration and contact time of calcination) on the H2S removal efficiency and impregnated AC yield were investigated. Both responses IAC yield(IACY, %) and removal efficiency(RE, %) were maximized to optimize the IAC preparation conditions. The optimum preparation conditions for IACY and RE were found as follows: calcination temperature of IAC of 880 ℃, calcium solution concentration of 49.3% and calcination contact time of 57.6 min, which resulted in 35.8% of IACY and 98.2% RE. In addition, the equilibrium and kinetics of the process were investigated. The adsorbent was characterized using TGA, XRD, FTIR, SEM/EDX, and BET. The maximum monolayer adsorption capacity was found to be 543.47 mg/g. The results recommended that the composite of PKSAC and Ca O could be a useful material for H2S containing wastewater treatment.展开更多
基金Bayer AG and Chinese Academy of Agricultural Sciences for kindly supplying the pesticides.
文摘Soil column liquid chromatography (SCLC) was developed to determine soil organic carbon adsorption coefficients (E-oc) for chemicals. The uptake by soil of pesticides from water can be conveniently calculated from the related breakthrough curves (BTC). The nine pesticides chosen for determination in this study are soluble ones, with their water solubility ranging from 62 mg/L to Z mg/L. In comparing with existing methods of K-oc, SCLC possesses rapid, online and accurate characteristics.
文摘This work investigated the effect of granular activated carbon adsorption (GACA) on fluorescence characteristics of dissolved organic matter (DOM) in secondary effluent, by means of excitation-emission matrix (EEM) spectra, the fluorescence regional integra- tion (FRI) method, synchronous spectra, the fluorescence index defined as the ratio of fluorescence emission intensity at wavelength 450nm to that at 500nm at excitation (λex)= 370 am, and the wavelength that corre- sponds to the position of the normalized emission band at its half intensity (λ0.5). DOM in the secondary effluent from the North Wastewater Treatment Plant (Shenyang, China) was fractionated using XAD resins into 5 fractions: hydrophobic acid (HPO-A), hydrophobic neutral (HPO- N), transphilic acid (TPI-A), transphi|ic neutral (TPI-N) and hydrophilic fraction (HPI). Results showed that fluorescent materials in HPO-N and TPI-N were less readily removed than those in the other fractions by GACA. The relative content of fluorescent materials in HPO-A, TPI-A and HPI decreased whereas that in HPO- N and TPI-N increased as a consequence of GACA. Polycyclic aromatics in all DOM fractions were preferen- tially absorbed by GACA, in comparison with bulk DOM expressed as DOC. On the other hand, the adsorption of aromatic amino acids and humic acid-like fluorophores exhibiting fluorescence peaks in synchronous spectra by GACA seemed to be dependent on the acid/neutralproperties of DOM fractions. All five fractions had decreased fluorescence indices as a result of GACA. GACA led to a decreased λ0.5 value for HPO-A, increased ,λ0.5 values for HPO-N, TPI-A and HPI, and a consistent λ0.5 value for TPI-N.
文摘Metal-organic frameworks (MOFs) have attracted much attention as adsorbents for the separation of CO2 from flue gas or natural gas. Here, a typical metal-organic framework HKUST-I(also named Cu-BTC or MOF-199) was chemically reduced by doping it with alkali metals (Li, Na and K) and they were further used to investigate their CO2 adsorption capacities. The structural information, surface chemistry and thermal behavior of the prepared adsorbent samples were characterized by X-ray powder diffraction (XRD), thermo-gravimetric analysis (TGA) and nitrogen adsorption-desorption isotherm analysis. The results showed that the CO2 storage capacity of HKUST-1 doped with moderate quantities of Li+, Na+ and K+, individually, was greater than that of unmodified HKUST-1. The highest CO2 adsorption uptake of 8.64 mmol/g was obtained with 1K-HKUST-1, and it was ca. 11% increase in adsorption capacity at 298 K and 18 bar as compared with HKUST- 1. Moreover, adsorption tests showed that HKUST-1 and 1K-HKUST-1 displayed much higher adsorption capacities of CO2 than those of N2. Finally, the adsorption/desorption cycle experiment revealed that the adsorption performance of 1K-HKUST-1 was fairly stable, without obvious deterioration in the adsorption capacity of CO2 after 10 cycles.
文摘In the present work, the behavior of folic acid (FA) molecule adsorbed onto single-walled carbon nanotube (SWCNT) was examined using the DFT-B3LYP/6-31G* level. In order to obtain information about the binding features of SWCNT as adsorbent with FA molecule, several studies, including the structural and electronic parameters and also the Atoms in Molecules (AIM) analysis, were performed. It was observed that the FA molecule via hydrogen bond prefers to adsorb on SWCNT with adsorption energy of about -18.70 kcal/mol. The molecular orbitals (HOMO and LUMO), natural bond orbital (NBO),analysis, and density of states (DOS) plot indicated that a charge about 0.032 [ e [ is transferred from the FA molecule to the nanotube. After solvation energy calculations, it was found that the presence of a polar solvent causes an increase in FA adsorption on the single-walled carbon nanotube. Topological features such as electron energy density (Hc) and Laplacian of the electron density (V2p~) demonstrate partial covalent nature for H(ll6)...O(10) interaction in the FA/SWCNT complex. According to the calculated results, the single-walled carbon nanotubes are expected to be a potential efficient adsorbent for the adsorption of folic acid drug and also can be used as a suitable drug delivery vehicle within biological systems.
基金the Ministry of Higher Education,Malaysia(MOHE)for the financial supports received under University Grant(08H05)and Fundamental Research Grant Scheme(4F872)Universiti Teknologi Malaysia for the GUP grant No.17H65the support to the main author,Wong Syie Luing,in the form of Post-Doctoral Fellowship Scheme for the project"Catalytic Cracking of Low Density Polyethylene Waste to Liquid Fuels in Fixed Bed Reactor"
文摘Adsorption is an important process in wastewater treatment,and conversion of waste materials to adsorbent offers a solution to high material cost related to the use of commercial activated carbon.This study investigated the adsorption behaviour of Reactive Black 5(RB5)and methylene blue(MB)onto activated carbon produced from textile sludge(TSAC).The activated carbon was synthesized through chemical activation of precursor followed with carbonization at 650℃ under nitrogen flow.Effects of time(0–200 min),pH(2–10),temperature(25–60℃),initial dye concentration(0–200 mg·L^-1),and adsorbent dosage(0.01–0.15 g)on dye removal efficiency were investigated.Preliminary screening revealed that TSAC synthesized via H2SO4activation showed higher adsorption behaviour than TSAC activated by KCl and ZnCl2.The adsorption capacity of TSAC was found to be 11.98 mg·g^-1(RB5)and 13.27 mg·g^-1(MB),and is dependent on adsorption time and initial dye concentration.The adsorption data for both dyes were well fitted to Freundlich isotherm model which explains the heterogeneous nature of TSAC surface.The dye adsorption obeyed pseudo-second order kinetic model,thus chemisorption was the controlling step.This study reveals potential of textile sludge in removal of dyes from aqueous solution,and further studies are required to establish the applicability of the synthesized adsorbent for the treatment of waste water containing toxic dyes from textile industry.
基金Funded by the National Natural Science Foundation of China(Nos.U1137605,51366014,51466017,and 51566017)the General Program of Yunnan Provincial Applied Fundamental Research(No.2011FZ076)the Scientific Research Training Foundation of Undergraduate(No.ky2014-179)
文摘Walnut-shellactivated carbons(WSACs)were prepared by the KOH chemicalactivation.The effects of carbonization temperature,activation temperature,and ratio of KOH to chars on the pore development of WSACs were investigated.Fourier transform infrared spectroscopy(FTIR),X-ray powder diffraction(XRD),and scanning electron microscopy(SEM)were employed to characterize the microstructure and morphology of WSACs.Methanoladsorption performance onto the optimalWSAC and the coal-based AC were also investigated.The results show that the optimalpreparation conditions are a carbonization temperature of 700 ℃,an activation temperature of 700 ℃,and a mass ratio of 3.The BET surface area,the micropore volume,and the micropore volume percentage of the optimalWASC are 1636 m^2/g,0.641 cm^3/g and 81.97%,respectively.There are a lot of micropores and a certain amount of meso-and macropores.The characteristics of the amorphous state are identified.The results show that the optimalWSAC is favorable for methanoladsorption.The equilibrium adsorption capacity of the optimalWSAC is 248.02mg/g.It is shown that the equilibrium adsorption capacity of the optimalWSAC is almost equivalent to that of the common activated carbon.Therefore the optimalWSAC could be a potentialadsorbent for the solar energy adsorption refrigeration cycle.
基金Projects(21376274,51206192)supported by the National Natural Science Foundation of China
文摘A simplified model was developed to describe the water vapor adsorption on activated carbon. The development of the simplified model was started from the original model proposed by DO and his co-workers. Two different kinds of carbon materials were prepared for water vapor adsorption, and the adsorption experiments were conducted at different temperatures(20-50 °C) and relative humidities(5%-99%) to test the model. It is shown that the amount of adsorbed water vapor in micropore decreases with the temperature increasing, and the water molecules form larger water clusters around the functional group as the temperature is up to a higher value. The simplified model describes reasonably well for all the experimental data. According to the fitted values, the parameters of simplified model were represented by the temperature and then the model was used to calculate the water vapor adsorption amount at 25 °C and 35 °C. The results show that the model can get relatively accurate values to calculate the water vapor adsorption on activated carbon.
文摘By using potassium permanganate impregnation method,common activated carbon was processed in 0. 079 mol/L KMnO4 solution at 650℃ to obtain modified activated carbon loaded with manganese oxide,and then different quantities of common activated carbon and modified activated carbon were used to adsorb 0. 3 mg/m^3 formaldehyde. The results showed that carbon and manganese atoms on the surface of modified activated carbon could adsorb formaldehyde,and the removal rate of 0. 3 mg/m^3 formaldehyde by 30 g of modified activated carbon reached 80%,increased one time compared with that by common activated carbon. Different amounts of activated carbon had various effects on the adsorption of formaldehyde,and the best usage of common activated carbon and modified activated carbon was 100 and 30 g respectively.
基金Project(51008106)supported by the National Natural Science Foundation of China
文摘A batch experiment was conducted to investigate the adsorption of an acid dye(Acid Orange 51) and a basic dye(Safranine) from aqueous solutions by the sludge-based activated carbon(SBAC). The results show that the adsorption of Acid Orange 51 decreases at high p H values, whereas the uptake of Safranine is higher in neutral and alkaline solutions than that in acidic conditions. The adsorption time needed for Safranine to reach equilibrium is shorter than that for Acid Orange 51. The uptakes of the dyes both increase with temperature increasing, indicating that the adsorption process of the dyes onto SBAC is endothermic. The equilibrium data of the dyes are both best represented by the Redlich-Peterson model. At 25 °C, the maximum adsorption capacities of SBAC for Acid Orange 51 and Safranine are 248.70 mg/g and 525.84 mg/g, respectively. The Elovich model is found to best describe the adsorption process of both dyes, indicating that the rate-limiting step involves the chemisorption. It can be concluded that SBAC is a promising material for the removal of Acid Orange 51 and Safranine from aqueous solutions.
基金Supported by National Key Technologies R&D Program of China(No.2006BAC02A12)
文摘The influence of small organics on the adsorption characteristics of activated carbon produced from industrial pyrolytic tire char(APTC)for malachite green(MG) was investigated by a batch method. Phenol was chosen as the representative of small organics. The effects of phenol on adsorption equilibrium, kinetics and thermodynamics were studied systematically. The results indicate that APTC is a potential adsorbent for MG. The presence of phenol decreases the adsorption capacity of APTC for MG, but improves the rate of adsorption, while the adsorption characteristics, such as equilibrium, kinetics and thermodynamics are not affected by phenol. The adsorption equilibrium data follow Langmuir isotherm and the kinetic data are well described by the pseudo-second-order kinetic model. The adsorption process follows intra-particle diffusion model and the adsorption rate is determined by more than one process. Thermodynamic study shows that the adsorption is an endothermic and spontaneous physisorption process.
基金Supported by the CNPC Huabei Oilfield Science and Technology Development Project(HBYT-CYY-2014-JS-378,HBYT-CYY-2015-JS-47)
文摘The adsorption behavior of CO_2, CH_4 and their mixtures in bituminous coal was investigated in this study. First, a bituminous coal model was built through molecular dynamic(MD) simulations, and it was confirmed to be reasonable by comparing the simulated results with the experimental data. Grand Canonical Monte Carlo(GCMC)simulations were then carried out to investigate the single and binary component adsorption of CO_2 and CH_4with the built bituminous coal model. For the single component adsorption, the isosteric heat of CO_2 adsorption is greater than that of CH_4 adsorption. CO_2 also exhibits stronger electrostatic interactions with the heteroatom groups in the bituminous coal model compared with CH_4, which can account for the larger adsorption capacity of CO_2 in the bituminous coal model. In the case of binary adsorption of CO_2 and CH_4mixtures, CO_2 exhibits the preferential adsorption compared with CH_4 under the studied conditions. The adsorption selectivity of CO_2 exhibited obvious change with increasing pressure. At lower pressure, the adsorption selectivity of CO_2 shows a rapid decrease with increasing the temperature, whereas it becomes insensitive to temperature at higher pressure. Additionally, the adsorption selectivity of CO_2 decreases gradually with the increase of the bulk CO_2 mole fraction and the depth of CO_2 injection site.
文摘Adsorption and desorption of gold on the magnetic activated carbon (MAC) were investigated The adsorption rate of gold is higher than that of conventional coconut carbon in cyanide leach solution The loading gold can be easily desorbed as coconut carbon. Crushed fine magnetic carbon can be selected by a magnetic separator, It is suggested that the MAC can be used in carbon-in-pulp (CIP)process for increasing the recovery rate of gold
文摘The adsorption behavior of folic acid onto(5,0) zigzag and(5,5) armchair carbon nanotube(SWCNT) has been investigated using B3 LYP density functional at the 6-31G* level. The adsorption energies,molecular orbital analysis and structural changes at the adsorption site are indicative of covalent adsorption on the zigzag SWCNT surface,while the adsorption is physical on the armchair SWCNT surface. The density of states(DOS) Plot and the quantum molecular descriptors(QMD) are witness to the significant changes in the electronic properties of SWCNT systems after the attachment of adsorbed species to the tube surface. According to the calculated results,the single-walled carbon nanotubes are expected to be a potential efficient adsorbent for the adsorption of folic acid drug and also can be used as a suitable drug delivery vehicle within biological systems.
文摘Using density functional theory, noncovalent interactions and two mechanisms of covalent functionalization of drug carmustine with functionalized carbon nanotube(CNT) have been investigated. Quantum molecular descriptors of noncovalent configurations were studied. It was specified that binding of drug carmustine with functionalized CNT is thermodynamically suitable. NTCOOH and NTCOCl can bond to the NH group of carmustine through OH(COOH mechanism) and Cl(COCl mechanism) groups, respectively. The activation energies, activation enthalpies and activation Gibbs free energies of two pathways were calculated and compared with each other. The activation parameters related to COOH mechanism are higher than those related to COCl mechanism, and therefore COCl mechanism is suitable for covalent functionalization. COOH functionalized CNT(NTCOOH) has more binding energy than COCl functionalized CNT(NTCOCl) and can act as a favorable system for carmustine drug delivery within biological and chemical systems(noncovalent). These results could be generalized to other similar drugs.
基金Supported by the Innovative Talent Funds for Project 985 under Grant No WLYJSBJRCTD201102the Fundamental Research Funds for the Central Universities under Grant No CQDXWL-2013-014+1 种基金the Natural Science Foundation of Chongqing under Grant No CSTC2006BB5240the Program for New Century Excellent Talents in Universities of China under Grant No NCET-07-0903
文摘Support vector regression (SVR) combined with particle swarm optimization for its parameter optimization is employed to establish a model for predicting the Henry constants of multi-walled carbon nanotubes (MWNTs) for adsorption of volatile organic compounds (VOCs). The prediction performance of SVR is compared with those of the model of theoretical linear salvation energy relationship (TLSER). By using leave-one-out cross validation of SVR test Henry constants for adsorption of 35 VOCs on MWNTs, the root mean square error is 0.080, the mean absolute percentage error is only 1.19~, and the correlation coefficient (R2) is as high as 0.997. Compared with the results of the TLSER model, it is shown that the estimated errors by SVR are ali smaller than those achieved by TLSER. It reveals that the generalization ability of SVR is superior to that of the TLSER model Meanwhile, multifactor analysis is adopted for investigation of the influences of each molecular structure descriptor on the Henry constants. According to the TLSER model, the adsorption mechanism of adsorption of carbon nanotubes of VOCs is mainly a result of van der Waals and interactions of hydrogen bonds. These can provide the theoretical support for the application of carbon nanotube adsorption of VOCs and can make up for the lack of experimental data.
文摘The adsorption of decylmethylsulfoxide(DEMS)onto carbon black and the effects of temperature,salt(NaCl)and acid (HCl)have been measured.Typical two plateaux type adsorption isotherms were obtained.Applying the two step model of surfactant adsorption on solid/liquld interface and the general adsorption isotherm equation[9]the experimental results were interpreted qualitatively and quantitatively.
基金Supported by the project No.LO1404(Sustainable Development of Center ENET-Energy Units for the Utilization of Non-Traditional Energy Sources)project No.LO 1203(Regional Materials Science and Technology Centre-Feasibility Program)+1 种基金the project No.LO1406(Institute of Clean Technologies for Mining and Utilization of Raw Materials for Energy Use-Sustainability Programsupported by the National Programme for Sustainability I 2013-2020
文摘The study deals with adsorption of Naphthol Green B on two unburned carbons and the parent coal,from which the UCs have been created in a fluidised-bed power station.Particular attention has been paid to the adsorption equilibrium modelling:experimental data has been analysed using 2-parameter(Langmuir,Freundlich) and3-parameter(Redlich-Peterson) isotherms — both linear and non-linear regressions have been used for the estimation of the isotherm parameters.In the case of both UCs,the Langmuir isotherm model provides the worst fit,whereas 2-parameter Freundlich and 3-parameter Redlich-Peterson models are both good,from which 3-parameter Redlich-Peterson isotherm provides slightly better results(despite the penalty used for the higher number of parameters).In the case of both UCs,the linear regression of Freundlich and Redlich-Peterson models provides good results(comparable with non-linear regressions).Unlike both UCs,the best fit of the experimental data from the adsorption on the coal has been achieved by the Langmuir isotherm model.The results based on the Freundlich or Redlich-Peterson model were(in this case) somewhat worse.
文摘The adsorplion behavior of dyes on a variety of sisal based activated carbonfibers (SACF) has been studied in this paper The results show that this kind of ACFhas excellent adsorption capacities for some organic (dye) molecules. SACF canremove nearly all methylene blue, crystal violet, bromophenol blue and Eriochromeblue black R from water after static adsorption for 24 h. at 30℃ The adsorptionamounts can reach more than 400 mg/g when adding 50 mg SACF into 50 ml dyesolution. Under the same conditions, the absorption amounts of xylenol orangefluorescein and Eriochrome black T were lower On the other hand, the adsorptionamounts change along with the characteristics of adsorbents. The SACFs activatedabove 840 ℃ which have higher specific surface areas and wider pore radii, havehigher adsorption amounts for the dyes. The researching results also show that foeadsorption rates of dyes onto SACFs decrease by the order of methylene blue,Eriochrome blue black R and crystal violet.
文摘Recently, Hsieh and Horng [1] published the paper entitled as above. In section 3 results and discussion, the authors mentioned the first and the second order kinetic models without any quotations. In fact these two kinetic models have been published [2-5]. In order to distinguish a kinetics model based on the ad- sorption capacity of a solid from the one based on the concentration of a solution, Lagergren's first-order rate equation has been called pseudo-first-order [6-7]. The Lagergren's equation has been widely cited, but there are far more mistakes made in the quotation and in the reference section of papers, including the title, the author's name, journal title, year of publishing, volume, and page number [3]. In addition, the second order kinetic expression for the adsorption systems of divalent metal ions using sphagnum moss peat has been reported by Ho [8].
基金Funded by the Faculty of Chemical&Natural Resources Engineering,Universiti Malaysia Pahang through a Local Research Grant Scheme
文摘This study presents the use of chicken eggshells waste utilizing palm kernel shell based activated carbon(PKSAC) through the modification of their surface to enhance the adsorption capacity of H2S. Response surface methodology technique was used to optimize the process conditions and they were found to be: 500 mg/L for H2S initial concentration, 540 min for contact time and 1 g for adsorbent mass. The impacts of three arrangement factors(calcination temperature of impregnated activated carbon(IAC), the calcium solution concentration and contact time of calcination) on the H2S removal efficiency and impregnated AC yield were investigated. Both responses IAC yield(IACY, %) and removal efficiency(RE, %) were maximized to optimize the IAC preparation conditions. The optimum preparation conditions for IACY and RE were found as follows: calcination temperature of IAC of 880 ℃, calcium solution concentration of 49.3% and calcination contact time of 57.6 min, which resulted in 35.8% of IACY and 98.2% RE. In addition, the equilibrium and kinetics of the process were investigated. The adsorbent was characterized using TGA, XRD, FTIR, SEM/EDX, and BET. The maximum monolayer adsorption capacity was found to be 543.47 mg/g. The results recommended that the composite of PKSAC and Ca O could be a useful material for H2S containing wastewater treatment.