Humic acid provenance influence to the adsorption capacity in uranium and thorium removal

NASA Astrophysics Data System (ADS)

Prasetyo, E.

2018-01-01

It is common knowledge that humic acid is organic compound without certain chemical composition since it is derived from different organic materials. Further this raises question whether the different humic acid sample used could lead to different adsorbent properties e.g. adsorption capacity. To address the problem, this paper is aimed to clarify the relation between the provenances of humic acid and synthesized adsorbent properties especially adsorption capacities by quantitative and qualitative functional groups determination including discussion on their effect to the metal ion adsorption mechanism using three humic acid samples. Two commercial samples were derived from recent compost while the other extracted from tertiary carbonaceous mudstone strata.

Structural properties and adsorption capacity of holocellulose aerogels synthesized from an alkali hydroxide-urea solution

NASA Astrophysics Data System (ADS)

Kwon, Gu-Joong; Kim, Dae-Young; Hwang, Jae-Hyun; Kang, Joo-Hyon

2014-05-01

A tulip tree was used to synthesize a holocellulose aerogel from an aqueous alkali hydroxide-urea solution with the substitution of an organic solvent followed by freeze-drying. For comparison, the synthesized holocellulose aerogels were divided into two groups according to the source of the hydrogel, an upper suspended layer and a bottom concentrated layer of the centrifuged solution of cellulose and NaOH/urea solvents. We investigated the effects of the temperature of the pre-cooled NaOH/urea solution ( i.e., dissolution temperature) on the pore structure and the adsorption capacity of the holocellulose aerogel. A nano-fibrillar network structure of the holocellulose aerogel was observed, with little morphological difference in pore structure for different dissolution temperatures. Both micropores and mesopores were observed in the holocellulose aerogel. The specific surface area of the holocellulose aerogel was generally greater at lower dissolution temperatures. In a series of adsorption tests using methylene blue, the holocellulose aerogel showed the greatest adsorption capacity at the lowest dissolution temperature tested (-2°C). However, the dissolution temperature generally had little effect on the adsorption capacity. The holocellulose aerogel produced from the upper suspended layer of the centrifuged hydrogel solution showed a greater porosity and adsorption capacity than the one produced from the bottom concentrated layer. Overall, the aerogel made by utilizing a delignified tulip tree display a high surface area and a high adsorption property, indicating its possible application in eco-friendly adsorption materials.

The Effect of Pluronic 123 Surfactant concentration on The N2 Adsorption Capacity of Mesoporous Silica SBA-15: Dubinin-Astakhov Adsorption Isotherm Analysis

NASA Astrophysics Data System (ADS)

Dhaneswara, Donanta; Siti Agustina, A. A. A.; Dewantoro Adhy, P.; Delayori, Farhan; Fajar Fatriansyah, Jaka

2018-04-01

Mesoporous SBA-15 has been successfully synthesized at various concentration of Pluronic 123 surfactant (7mM, 50 mM, 54 mM, 60 mM and 66 mM) and the effect of these various concentrations on the N2 adsorption capacity has been investigated. The adsorption analysis was conducted using Dubinin-Astakhov isotherm model for multilayer adsorption phenomenon. It was found that etryat low concentration of Pluronic 123, the system exhibits type I adsorption isotherm while at high concentration, the system exhibits type IV adsorption with H1 hysteresis curve which indicates the existence of pores with cylindrical geometry, relatively uniform pore size and possibility of pore network effects. It also was found that, by using D-A isotherm model fitting, at 60 mM concentration of Pluronic 123, SBA-15 has the highest adsorption capacity which stands at 421 cm3/gram.

Adsorption of selected pharmaceuticals and an endocrine disrupting compound by granular activated carbon. 1. Adsorption capacity and kinetics.

PubMed

Yu, Zirui; Peldszus, Sigrid; Huck, Peter M

2009-03-01

The adsorption of two representative PhACs (naproxen and carbamazepine) and one EDC (nonylphenol) were evaluated on two granular activated carbons (GAC). The primary objective was to investigate preloading effects by natural organic matter (NOM) on adsorption capacity and kinetics under conditions and concentrations (i.e., ng/L) relevantfor drinking water treatment Isotherms demonstrated that all compounds were significantly negatively impacted by NOM fouling. Adsorption capacity reduction was most severe for the acidic naproxen, followed by the neutral carbamazepine and then the more hydrophobic nonylphenol. The GAC with the wider pore size distribution had considerably greater NOM loading, resulting in lower adsorption capacity. Different patterns forthe change in Freundlich K(F) and 1/n with time revealed different competitive mechanisms for the different compounds. Mass transport coefficients determined by short fixed-bed (SFB) tests with virgin and preloaded GAC demonstrated thatfilm diffusion primarily controls mass transfer on virgin and preloaded carbon. Naproxen suffered the greatest deteriorative effect on kinetic parameters due to preloading, followed by carbamazepine, and then nonylphenol. A type of surface NOM/biofilm, which appeared to add an additional masstransfer resistance layer and thus reduce film diffusion, was observed. In addition, electrostatic interactions between NOM/biofilm and the investigated compounds are proposed to contribute to the reduction of film diffusion. A companion paper building on this work describes treatability studies in pilot-scale GAC adsorbers and the effectiveness of a selected fixed-bed model.

Carbon nanotube membranes with ultrahigh specific adsorption capacity for water desalination and purification.

PubMed

Yang, Hui Ying; Han, Zhao Jun; Yu, Siu Fung; Pey, Kin Leong; Ostrikov, Kostya; Karnik, Rohit

2013-01-01

Development of technologies for water desalination and purification is critical to meet the global challenges of insufficient water supply and inadequate sanitation, especially for point-of-use applications. Conventional desalination methods are energy and operationally intensive, whereas adsorption-based techniques are simple and easy to use for point-of-use water purification, yet their capacity to remove salts is limited. Here we report that plasma-modified ultralong carbon nanotubes exhibit ultrahigh specific adsorption capacity for salt (exceeding 400% by weight) that is two orders of magnitude higher than that found in the current state-of-the-art activated carbon-based water treatment systems. We exploit this adsorption capacity in ultralong carbon nanotube-based membranes that can remove salt, as well as organic and metal contaminants. These ultralong carbon nanotube-based membranes may lead to next-generation rechargeable, point-of-use potable water purification appliances with superior desalination, disinfection and filtration properties.

High-Capacity and Photoregenerable Composite Material for Efficient Adsorption and Degradation of Phenanthrene in Water.

PubMed

Liu, Wen; Cai, Zhengqing; Zhao, Xiao; Wang, Ting; Li, Fan; Zhao, Dongye

2016-10-18

We report a novel composite material, referred to as activated charcoal supported titanate nanotubes (TNTs@AC), for highly efficient adsorption and photodegradation of a representative polycyclic aromatic hydrocarbon (PAH), phenanthrene. TNTs@AC was prepared through a one-step hydrothermal method, and is composed of an activated charcoal core and a shell of carbon-coated titanate nanotubes. TNTs@AC offered a maximum Langmuir adsorption capacity of 12.1 mg/g for phenanthrene (a model PAH), which is ∼11 times higher than the parent activated charcoal. Phenanthrene was rapidly concentrated onto TNTs@AC, and subsequently completely photodegraded under UV light within 2 h. The photoregenerated TNTs@AC can then be reused for another adsorption-photodegradation cycle without significant capacity or activity loss. TNTs@AC performed well over a wide range of pH, ionic strength, and dissolved organic matter. Mechanistically, the enhanced adsorption capacity is attributed to the formation of carbon-coated ink-bottle pores of the titanate nanotubes, which are conducive to capillary condensation; in addition, the modified microcarbon facilitates transfer of excited electrons, thereby inhibiting recombination of the electron-hole pairs, resulting in high photocatalytic activity. The combined high adsorption capacity, photocatalytic activity, and regenerability/reusability merit TNTs@AC a very attractive material for concentrating and degrading a host of micropollutants in the environment.

Gas-phase formaldehyde adsorption isotherm studies on activated carbon: correlations of adsorption capacity to surface functional group density.

PubMed

Carter, Ellison M; Katz, Lynn E; Speitel, Gerald E; Ramirez, David

2011-08-01

Formaldehyde (HCHO) adsorption isotherms were developed for the first time on three activated carbons representing one activated carbon fiber (ACF) cloth, one all-purpose granular activated carbon (GAC), and one GAC commercially promoted for gas-phase HCHO removal. The three activated carbons were evaluated for HCHO removal in the low-ppm(v) range and for water vapor adsorption from relative pressures of 0.1-0.9 at 26 °C where, according to the IUPAC isotherm classification system, the adsorption isotherms observed exhibited Type V behavior. A Type V adsorption isotherm model recently proposed by Qi and LeVan (Q-L) was selected to model the observed adsorption behavior because it reduces to a finite, nonzero limit at low partial pressures and it describes the entire range of adsorption considered in this study. The Q-L model was applied to a polar organic adsorbate to fit HCHO adsorption isotherms for the three activated carbons. The physical and chemical characteristics of the activated carbon surfaces were characterized using nitrogen adsorption isotherms, X-ray photoelectron spectroscopy (XPS), and Boehm titrations. At low concentrations, HCHO adsorption capacity was most strongly related to the density of basic surface functional groups (SFGs), while water vapor adsorption was most strongly influenced by the density of acidic SFGs.

Hierarchical flower-like nickel(II) oxide microspheres with high adsorption capacity of Congo red in water.

PubMed

Zheng, Yingqiu; Zhu, Bicheng; Chen, Hua; You, Wei; Jiang, Chuanjia; Yu, Jiaguo

2017-10-15

Monodispersed hierarchical flower-like nickel(II) oxide (NiO) microspheres were fabricated by a facile solvothermal reaction with the assistance of ethanolamine and a subsequent calcination process. The as-synthesized samples were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, nitrogen adsorption-desorption isotherms, zeta potential measurement and Fourier transform infrared spectroscopy. Flower-like nickel(II) hydroxide microspheres with uniform diameters of approximate 6.3μm were obtained after the solvothermal reaction. After heat treatment at 350°C, the crystal phase transformed to NiO, but the hierarchical porous structure was maintained. The as-prepared microspheres exhibited outstanding performance for the adsorption of Congo red (CR), an anionic organic dye, from aqueous solution at circumneutral pH. The pseudo-second-order model can make a good description of the adsorption kinetics, while Langmuir model could well express the adsorption isotherms, with calculated maximum CR adsorption capacity of 534.8 and 384.6mgg -1 , respectively, for NiO and Ni(OH) 2 . The adsorption mechanism of CR onto the as-synthesized samples can be mainly attributed to electrostatic interaction between the positively charged sample surface and the anionic CR molecules. The as-prepared NiO microspheres are a promising adsorbent for CR removal in water treatment. Copyright © 2017 Elsevier Inc. All rights reserved.

Adsorption of sulfur dioxide on ammonia-treated activated carbon fibers

USGS Publications Warehouse

Mangun, C.L.; DeBarr, J.A.; Economy, J.

2001-01-01

A series of activated carbon fibers (ACFs) and ammonia-treated ACFs prepared from phenolic fiber precursors have been studied to elucidate the role of pore size, pore volume, and pore surface chemistry on adsorption of sulfur dioxide and its catalytic conversion to sulfuric acid. As expected, the incorporation of basic functional groups into the ACFs was shown as an effective method for increasing adsorption of sulfur dioxide. The adsorption capacity for dry SO2 did not follow specific trends; however the adsorption energies calculated from the DR equation were found to increase linearly with nitrogen content for each series of ACFs. Much higher adsorption capacities were achieved for SO2 in the presence of oxygen and water due to its catalytic conversion to H2SO4. The dominant factor for increasing adsorption of SO2 from simulated flue gas for each series of fibers studied was the weight percent of basic nitrogen groups present. In addition, the adsorption energies calculated for dry SO2 were shown to be linearly related to the adsorption capacity of H2SO4 from this flue gas for all fibers. It was shown that optimization of this parameter along with the pore volume results in higher adsorption capacities for removal of SO2 from flue gases. ?? 2001 Elsevier Science Ltd. All rights reserved.

Amine-functionalized PVA-co-PE nanofibrous membrane as affinity membrane with high adsorption capacity for bilirubin.

PubMed

Wang, Wenwen; Zhang, Hao; Zhang, Zhifeng; Luo, Mengying; Wang, Yuedan; Liu, Qiongzhen; Chen, Yuanli; Li, Mufang; Wang, Dong

2017-02-01

In this study, poly(vinyl alcohol-co-ethylene) (PVA-co-PE) nanofibrous membrane was activated by sodium hydroxide and cyanuric chloride, and then the activated membranes were functionalized by 1,3-propanediamine, hexamethylenediamine and diethylenetriamine to be affinity membranes for bilirubin removal, respectively. The chemical structures and morphologies of membranes were investigated by SEM, FTIR and XPS. And the adsorption ability of different amine-functionalized nanofibrous membranes for bilirubin was characterized. Furthermore, the effects of temperature, initial concentration of bilirubin, NaCl concentration and BSA concentration on the adsorption capacity for bilirubin of diethylenetriamine-functionalized nanofibrous membrane were studied. Results indicated that the adsorption capacity for bilirubin of diethylenetriamine-functionalized nanofibrous membrane could reach 85mg/g membrane when the initial bilirubin concentration was 200mg/L while the adsorption capacity could be increased to 110mg/g membrane if the initial bilirubin concentration was more than 400mg/L. The dynamic adsorption of diethylenetriamine-functionalized nanofibrous membrane showed that the ligands of amine groups on the membrane surface could be used as far as possible by recirculating the plasma with certain flow rates. Therefore, the diethylenetriamine-functionalized PVA-co-PE nanofibrous membrane possessed high adsorption capacity for bilirubin and it can be candidate as affinity membrane for bilirubin removal. Copyright © 2016. Published by Elsevier B.V.

Effects of decreasing activated carbon particle diameter from 30 μm to 140 nm on equilibrium adsorption capacity.

PubMed

Pan, Long; Nishimura, Yuki; Takaesu, Hideki; Matsui, Yoshihiko; Matsushita, Taku; Shirasaki, Nobutaka

2017-11-01

The capacity of activated carbon particles with median diameters (D50s) of >∼1 μm for adsorption of hydrophobic micropollutants such as 2-methylisolborneol (MIB) increases with decreasing particle size because the pollutants are adsorbed mostly on the exterior (shell) of the particles owing to the limited diffusion penetration depth. However, particles with D50s of <1 μm have not been thoroughly investigated. Here, we prepared particles with D50s of ∼30 μm-∼140 nm and evaluated their adsorption capacities for MIB and several other environmentally relevant adsorbates. The adsorption capacities for low-molecular-weight adsorbates, including MIB, deceased with decreasing particle size for D50s of less than a few micrometers, whereas adsorption capacities increased with decreasing particle size for larger particles. The oxygen content of the particles increased substantially with decreasing particle size for D50s of less than a few micrometers, and oxygen content was negatively correlated with adsorption capacity. The decrease in adsorption capacity with decreasing particle size for the smaller particles was due to particle oxidation during the micromilling procedure used to decrease D50 to ∼140 nm. When oxidation was partially inhibited, the MIB adsorption capacity decrease was attenuated. For high-molecular-weight adsorbates, adsorption capacity increased with decreasing particle size over the entire range of tested particle sizes, even though particle oxygen content increased with decreasing particle size. Copyright © 2017 Elsevier Ltd. All rights reserved.

Ammonia adsorption capacity of biomass and animal-manure derived biochars

USDA-ARS?s Scientific Manuscript database

The objective of this research was to characterize and investigate ammonia and hydrogen sulfide gas adsorption capacities of low- and high-temperature biochars made from wood shavings and chicken litter. The biochar samples were activated with steam or phosphoric acid. The specific surface areas and...

Crystal Face Distributions and Surface Site Densities of Two Synthetic Goethites: Implications for Adsorption Capacities as a Function of Particle Size.

PubMed

Livi, Kenneth J T; Villalobos, Mario; Leary, Rowan; Varela, Maria; Barnard, Jon; Villacís-García, Milton; Zanella, Rodolfo; Goodridge, Anna; Midgley, Paul

2017-09-12

Two synthetic goethites of varying crystal size distributions were analyzed by BET, conventional TEM, cryo-TEM, atomic resolution STEM and HRTEM, and electron tomography in order to determine the effects of crystal size, shape, and atomic scale surface roughness on their adsorption capacities. The two samples were determined by BET to have very different site densities based on Cr VI adsorption experiments. Model specific surface areas generated from TEM observations showed that, based on size and shape, there should be little difference in their adsorption capacities. Electron tomography revealed that both samples crystallized with an asymmetric {101} tablet habit. STEM and HRTEM images showed a significant increase in atomic-scale surface roughness of the larger goethite. This difference in roughness was quantified based on measurements of relative abundances of crystal faces {101} and {201} for the two goethites, and a reactive surface site density was calculated for each goethite. Singly coordinated sites on face {210} are 2.5 more dense than on face {101}, and the larger goethite showed an average total of 36% {210} as compared to 14% for the smaller goethite. This difference explains the considerably larger adsorption capacitiy of the larger goethite vs the smaller sample and points toward the necessity of knowing the atomic scale surface structure in predicting mineral adsorption processes.

N-doping effectively enhances the adsorption capacity of biochar for heavy metal ions from aqueous solution.

PubMed

Yu, Wenchao; Lian, Fei; Cui, Guannan; Liu, Zhongqi

2018-02-01

N-doping was successfully employed to improve the adsorption capacity of biochar (BC) for Cu 2+ and Cd 2+ by direct annealing of crop straws in NH 3 . The surface N content of BC increased more than 20 times by N-doping; meanwhile the content of oxidized-N was gradually diminished but graphitic-N was formed and increased with increasing annealing temperature and duration time. After N-doping, a high graphitic-N percentage (46.4%) and S BET (418.7 m 2 /g) can be achieved for BC. As a result, the N-doped BC exhibited an excellent adsorption capacity for Cu 2+ (1.63 mmol g -1 ) and Cd 2+ (1.76 mmol g -1 ), which was up to 4.0 times higher than that of the original BC. Furthermore, the adsorption performance of the N-doped BC remained stable even at acidic conditions. A positive correlation can be found between adsorption capacity with the graphitic N content on BC surface. The surface chemistry of N-doped BC before and after the heavy metal ions adsorption was carefully examined by XPS and FTIR techniques, which indicated that the adsorption mechanisms mainly included cation-π bonding and complexation with graphitic-N and hydroxyl groups of carbon surfaces. Copyright © 2017 Elsevier Ltd. All rights reserved.

Suitability of adsorption isotherms for predicting the retention capacity of active slag filters removing phosphorus from wastewater.

PubMed

Pratt, C; Shilton, A

2009-01-01

Active slag filters are an emerging technology for removing phosphorus (P) from wastewater. A number of researchers have suggested that adsorption isotherms are a useful tool for predicting P retention capacity. However, to date the appropriateness of using isotherms for slag filter design remains unverified due to the absence of benchmark data from a full-scale, field filter operated to exhaustion. This investigation compared the isotherm-predicted P retention capacity of a melter slag with the P adsorption capacity determined from a full-scale, melter slag filter which had reached exhaustion after five years of successfully removing P from waste stabilization pond effluent. Results from the standard laboratory batch test showed that P adsorption correlated more strongly with the Freundlich Isotherm (R(2)=0.97, P<0.01) than the Langmuir Isotherm, a similar finding to previous studies. However, at a P concentration of 10 mg/L, typical of domestic effluent, the Freundlich equation predicted a retention capacity of 0.014 gP/kg slag; markedly lower than the 1.23 gP/kg slag adsorbed by the field filter. Clearly, the result generated by the isotherm bears no resemblance to actual field capacity. Scanning electron microscopy analysis revealed porous, reactive secondary minerals on the slag granule surfaces from the field filter which were likely created by weathering. This slow weathering effect, which generates substantial new adsorption sites, is not accounted for by adsorption isotherms rendering them ineffective in slag filter design.

Adsorption of phthalic acid and salicylic acid and their effect on exchangeable Al capacity of variable-charge soils.

PubMed

Li, Jiuyu; Xu, Renkou

2007-02-01

Low-molecular-weight (LMW) organic acids may be adsorbed by soils and the adsorption could affect their biodegradation and efficiency in many soil processes. In the present study, the adsorption of phthalic acid and salicylic acid and their effect on the exchangeable Al capacity of variable-charge soils were investigated. The results indicated that phthalic acid and salicylic acid were adsorbed by four variable-charge soils to some extent, oxisols showed a greater adsorption capacity for organic acids than ultisols, and the ability of the four variable-charge soils to adsorb the organic acids at different pH generally followed the order Kunming oxisol > Xuwen oxisol > Jinxian ultisol > Lechang ultisol, which was closely related to their content of free iron oxides and amorphous iron and aluminum oxides. The adsorption of organic acids induced a decrease in the zeta potentials of soils and oxides. Goethite has greater adsorption capacity for organic acid than Xuwen oxisol and the adsorption of organic acids resulted in a bigger decrease in the zeta potential of goethite suspensions. After free iron oxides were removed, less organic acid was adsorbed by Xuwen oxisol and no change was observed in zeta potential for the soil suspension after organic acid was added. The presence of phthalic acid increased the capacity of exchangeable Al and the increment in the four variable-charge soils also followed the order Kunming oxisol > Xuwen oxisol > Lechang ultisol and Jinxian ultisol. The presence of salicylic acid increased the capacity of exchangeable Al in Kunming oxisol, Xuwen oxisol, and Jinxian ultisol, but decreased it in Lechang ultisol due to less adsorption of the acid and formation of soluble Al-salicylate complexes in solution. After free iron oxides were removed, less effect of organic acid on exchangeable Al was observed for Xuwen oxisol, which further confirmed that the iron oxides played a significant role in organic acid adsorption and had a consequent effect

Fugitive gas adsorption capacity of biomass and animal-manure derived biochars

USDA-ARS?s Scientific Manuscript database

This research characterized and investigated ammonia and hydrogen sulfide gas adsorption capacities of low- and high-temperature biochars made from wood shavings and chicken litter. The biochar samples were activated with steam or phosphoric acid. The specific surface areas and pore volumes of the a...

Ultra-high adsorption capacity of zeolitic imidazole framework-67 (ZIF-67) for removal of malachite green from water.

PubMed

Lin, Kun-Yi Andrew; Chang, Hsuan-Ang

2015-11-01

Zeolitic imidazole frameworks (ZIFs), a new class of adsorbents, are proposed to adsorb Malachite Green (MG) in water. Particularly, ZIF-67 was selected owing to its stability in water and straightforward synthesis. The as-synthesized ZIF-67 was characterized and used to adsorb MG from water. Factors affecting the adsorption capacity were investigated including mixing time, temperature, the presence of salts and pH. The kinetics, adsorption isotherm and thermodynamics of the MG adsorption to ZIF-67 were also studied. The adsorption capacity of ZIF-67 for MG could be as high as 2430mgg(-1) at 20°C, which could be improved at the higher temperatures. Such an ultra-high adsorption capacity of ZIF-67 was almost 10-times of those of conventional adsorbents, including activated carbons and biopolymers. A mechanism for the high adsorption capacity was proposed and possibly attributed to the π-π stacking interaction between MG and ZIF-67. ZIF-67 also could be conveniently regenerated by washing with ethanol and the regeneration efficiency could remain 95% up to 4 cycles of the regeneration. ZIF-67 was also able to remove MG from the aquaculture wastewater, in which MG can be typically found. These features enable ZIF-67 to be one of the most effective and promising adsorbent to remove MG from water. Copyright © 2015 Elsevier Ltd. All rights reserved.

Composites of ZnO nanoparticles and biomass based activated carbon: adsorption, photocatalytic and antibacterial capacities.

PubMed

Cruz, G J F; Gómez, M M; Solis, J L; Rimaycuna, J; Solis, R L; Cruz, J F; Rathnayake, B; Keiski, R L

2018-05-01

Composite material (AC-ZnO) was prepared by growing ZnO nanoparticles during the production of biomass based-activated carbon (AC) via the incorporation of zinc acetate in the process. Comprehensive analyses confirmed the presence of ZnO nanoparticles over the AC surface and described the particular nature of the composite adsorbent. Methylene blue (MB) equilibrium data fitted the Dubinin-Radushkevich model. The MB adsorption capacity was higher for the bare activated carbons (197.9-188.7 mg/g) than the activated carbons with ZnO nanoparticles (137.6-149.7 mg/g). The adsorption of the MB on the adsorbents is physical because the mean adsorption energy (E) is between 1.76 and 2.00 kJ/mol. Experiments that combine adsorption and photocatalysis were carried out with different loads of adsorbents and with and without UV-light exposure. Photocatalytic activity was identified mostly at the first stage of the adsorption process and, in the case of experiments with less load of the composite AC-ZnO, because the light obstruction effect of the activated carbon is more for higher loads. The ZnO grown over AC improves the adsorption of cations such as Pb, Al and Fe in aqueous phase (polluted river water) and provides antibacterial capacity against Escherichia coli and Salmonella typhimurium.

Mesoporous g-C₃N₄ Nanosheets: Synthesis, Superior Adsorption Capacity and Photocatalytic Activity.

PubMed

Li, Dong-Feng; Huang, Wei-Qing; Zou, Lan-Rong; Pan, Anlian; Huang, Gui-Fang

2018-08-01

Elimination of pollutants from water is one of the greatest challenges in resolving global environmental issues. Herein, we report a high-surface-area mesoporous g-C3N4 nanosheet with remarkable high adsorption capacity and photocatalytic performance, which is prepared through directly polycondensation of urea followed by a consecutive one-step thermal exfoliation strategy. This one-pot method to prepare mesoporous g-C3N4 nanosheet is facile and rapid in comparison with others. The superior adsorption capacity of the fabricated mesoporous g-C3N4 nanostructures is demonstrated by a model organic pollutant-methylene blue (MB), which is up to 72.2 mg/g, about 6 times as that of the largest value of various g-C3N4 adsorbents reported so far. Moreover, this kind of porous g-C3N4 nanosheet exhibits high photocatalytic activity to MB and phenol degradation. Particularly, the regenerated samples show excellent performance of pollutant removal after consecutive adsorption/degradation cycles. Therefore, this mesoporous g-C3N4 nanosheet may be an attractive robust metal-free material with great promise for organic pollutant elimination.

Study on the Adsorption Capacities for Airborne Particulates of Landscape Plants in Different Polluted Regions in Beijing (China)

PubMed Central

Zhang, Wei-Kang; Wang, Bing; Niu, Xiang

2015-01-01

Urban landscape plants are an important component of the urban ecosystem, playing a significant role in the adsorption of airborne particulates and air purification. In this study, six common landscape plants in Beijing were chosen as research subjects, and the adsorption capacities for each different plant leaf and the effects of the leaf structures for the adsorption capacities for particulates were determined. Preliminary results show that needle-leaved tree species adsorbed more airborne particulates than broad-leaved tree species for the same leaf area. Pinus tabuliformis exhibits the highest adsorption capacity, at 3.89 ± 0.026 μg·cm−2, almost two times as much as that of Populus tomentosa (2.00 ± 0.118 μg·cm−2). The adsorption capacities for PM10 of the same tree species leaves, in different polluted regions had significant differences, and the adsorption capacities for PM10 of the tree species leaf beside the Fifth Ring Road were higher than those of the tree species leaves in the Botanical Garden, although the adsorption capacities for PM2.5 of the same tree species in different polluted regions had no significant differences. By determining the soluble ion concentrations of the airborne particulates in two regions, it is suggested that the soluble ion concentrations of PM10 in the atmosphere in the Botanical Garden and beside the Fifth Ring Road have significant differences, while those of PM2.5 in the atmosphere had no significant differences. In different polluted regions there are significant adaptive changes to the leaf structures, and when compared with slightly polluted region, in the seriously polluted region the epidermis cells of the plant leaves shrinked, the surface textures of the leaves became rougher, and the stomas’ frequency and the pubescence length increased. Even though the plant leaves exposed to the seriously polluted region changed significantly, these plants can still grow normally and healthily. PMID:26287227

Complexes of DOTA-bisphosphonate conjugates: probes for determination of adsorption capacity and affinity constants of hydroxyapatite.

PubMed

Vitha, Tomas; Kubícek, Vojtech; Hermann, Petr; Kolar, Zvonimir I; Wolterbeek, Hubert Th; Peters, Joop A; Lukes, Ivan

2008-03-04

The adsorption on hydroxyapatite of three conjugates of a bisphosphonate and a macrocycle having C1, C2, and C3 spacers and their terbium complexes was studied by the radiotracer method using 160Tb as the label. The radiotracer-containing complex of the conjugate with the C3 spacer was used as a probe for the determination of the adsorption parameters of other bisphosphonates that lack a DOTA unit. A physicochemical model describing the competitive adsorption was successfully applied in the fitting of the obtained data. The maximum adsorption capacity of bisphosphonates containing bulky substituents is determined mainly by their size. For bisphosphonates having no DOTA moiety, the maximum adsorption capacity is determined by the electrostatic repulsion between negatively charged bisphosphonate groups. Compounds with a hydroxy or amino group attached to the alpha-carbon atom show higher affinities. Macrocyclic compounds containing a short spacer between the different bisphosphonic acid groups and the macrocyclic unit exhibit high affinities, indicating a synergic effect of the bisphosphonic and the macrocyclic groups during adsorption. The competition method described uses a well-characterized complex and allows a simple evaluation of the adsorption behavior of bisphosphonates. The application of the macrocycle-bisphosphonate conjugates allows easy radiolabeling via complexation of a suitable metal isotope.

Impacts of amount of impregnated iron in granular activated carbon on arsenate adsorption capacities and kinetics.

PubMed

Chang, Qigang; Lin, Wei; Ying, Wei-Chi

2012-06-01

Iron-impregnated granular activated carbons (Fe-GAC) can remove arsenic effectively from water. In this study, Fe-GACs with iron content of 1.64 to 28.90% were synthesized using a new multi-step procedure for the investigation of effects of iron amount on arsenic adsorption capacities and kinetics. Langmuir model satisfactorily fit arsenic adsorption on Fe-GACs. The maximum arsenic adsorption capacity (q(m)) increased significantly with iron impregnation and reached 1,867 to 1,912 microg/g with iron content of 9.96 to 13.59%. Further increase of iron content (> 13.59%) caused gradual decrease of q(m). It was found that the amount of impregnated iron showed little impact on the affinity for arsenate. Kinetic study showed that the amount of impregnated iron affected the arsenic intraparticle diffusion rate greatly. The pseudo-second-order kinetic model fit arsenic adsorption kinetics on Fe-GACs better than the pseudo-first-order model. The arsenic adsorption rate increased with increasing of iron content from 1.64% to 13.59%, and then decreased with more impregnated iron (13.59 to 28.90%).

[Adsorption characteristics of acetone and butanone onto honeycomb ZSM-5 molecular sieve].

PubMed

Du, Juan; Luan, Zhi-Qiang; Xie, Qiang; Ye, Ping-Wei; Li, Kai; Wang, Xi-Qin

2013-12-01

Adsorption capacity of acetone and acetone-butanone mixture onto honeycomb ZSM-5 molecular sieve was measured in this paper, and the influences of relative humidity, initial adsorbate concentration and airflow velocity on the adsorption process were investigated. Besides, adsorption performance parameters were calculated by Wheeler's equation. The results showed that relative humidity had no obvious influence on the acetone adsorption performance, which suggests that this material has good hydrophobic ability; in the low concentration range, the dynamic saturated adsorption capacity of acetone increased with the increase of initial concentration, but in the occasion of high concentration of acetone gas (more than 9 mg x L(-1)), the dynamic saturated adsorption capacity maintained at a certain level and did not vary with the increase of initial concentration; the increase of air flow velocity resulted in significant increase of acetone adsorption rate constant, at the same time the critical layer thickness of the adsorbent bed also increased significantly. In the cases of acetone-butanone mixture, the adsorption capacity of butanone onto ZSM-5 was clearly higher than that of acetone.

High-capacity adsorption of Cr(VI) from aqueous solution using a hierarchical porous carbon obtained from pig bone.

PubMed

Wei, Shaochen; Li, Dongtian; Huang, Zhe; Huang, Yaqin; Wang, Feng

2013-04-01

A hierarchical porous carbon obtained from pig bone (HPC) was utilized as the adsorbent for removal of Cr(VI) from aqueous solution. The effects of solution pH value, concentration of Cr(VI), and adsorption temperature on the removal of Cr(VI) were investigated. The experimental data of the HPC fitted well with the Langmuir isotherm and its adsorption kinetic followed pseudo-second order model. Compared with a commercial activated carbon adsorbent (Norit CGP), the HPC showed an high adsorption capability for Cr(VI). The maximum Cr(VI) adsorption capacity of the HPC was 398.40 mg/g at pH 2. It is found that a part of the Cr(VI) was reduced to Cr(III) on the adsorbent surface from desorption experiment data. The regeneration showed adsorption capacity of the HPC can still achieve 92.70 mg/g even after fifth adsorption cycle. Copyright © 2013 Elsevier Ltd. All rights reserved.

CO2 Adsorption in Low-Rank Coals: Progress Toward Assessing the National Capacity to Store CO2 in the Subsurface

NASA Astrophysics Data System (ADS)

Stanton, R. W.; Burruss, R. C.; Flores, R. M.; Warwick, P. D.

2001-05-01

Subsurface environments for geologic storage of CO2 from combustion of fossil fuel include saline formations, depleted oil and gas reservoirs, and unmineable coalbeds. Of these environments, storage in petroleum reservoirs and coal beds offers a potential economic benefit of enhanced recovery of energy resources. Meaningful assessment of the volume and geographic distribution of storage sites requires quantitative estimates of geologic factors that control storage capacity. The factors that control the storage capacity of unmineable coalbeds are poorly understood. In preparation for a USGS assessment of CO2 storage capacity we have begun new measurements of CO2 and CH4 adsorption isotherms of low-rank coal samples from 4 basins. Initial results for 13 samples of low-rank coal beds from the Powder River Basin (9 subbituminous coals), Greater Green River Basin (1 subbituminous coal), Williston Basin (2 lignites) and the Gulf Coast (1 lignite) indicate that their adsorption capacity is up to 10 times higher than it is for CH4. These values contrast with published measurements of the CO2 adsorption capacity of bituminous coals from the Fruitland Formation, San Juan basin, and Gates Formation, British Columbia, that indicate about twice as much carbon dioxide as methane can be adsorbed on coals. Because CH4 adsorption isotherms are commonly measured on coals, CO2 adsorption capacity can be estimated if thecorrect relationship between the gases is known. However, use a factor to predict CO2 adsorption that is twice that of CH4 adsorption, which is common in the published literature, grossly underestimates the storage capacity of widely distributed, thick low-rank coal beds. Complete petrographic and chemical characterization of these low-rank coal samples is in progress. Significant variations in adsorption measurements among samples are depicted depending on the reporting basis used. Properties were measured on an "as received" (moist) basis but can be converted to a

Protein adsorption to poly(ethylenimine)-modified Sepharose FF: I. a critical ionic capacity for drastically enhanced capacity and uptake kinetics.

PubMed

Yu, Lin-Ling; Tao, Shi-Peng; Dong, Xiao-Yan; Sun, Yan

2013-08-30

To explore the details of protein uptake to polymer-grafted ion exchangers, Sepharose FF was modified with poly(ethylenimine) (PEI) to prepare anion exchanger of 10 different ionic capacities (ICs, 100-1220mmol/L). Adsorption equilibria and kinetics of bovine serum albumin (BSA) were then studied. It is found that ionic capacity, i.e., the coupling density of PEI, had significant effect on both adsorption capacity (qm) and effective protein diffusivity (De). With increasing ionic capacity, the qm value increased rapidly at IC<260mmol/L and then increased slowly till reaching a plateau at IC=600mmol/L. In the IC range of 100-600mmol/L, however, the De values kept at a low level (De/D0<0.07); it first decreased from 0.05±0.01 at IC=100mmol/L to 0.01±0.01 at IC=260mmol/L and then increased to 0.06±0.01 at IC=600mmol/L. Thereafter, sharp increases of the qm and De values [36% (from 201 to 273mg/mL) and 670% (from 0.06±0.01 to 0.49±0.04), respectively] were observed in the narrow range of IC from 600 to 740mmol/L. Finally, at IC>740mmol/L, the qm value decreased significantly while the De value increased moderately with increasing the IC. The results indicate that PEI chains played an important role in protein adsorption and transport. In brief, there was a critical IC (cIC) or PEI chain density, above which protein adsorption and transport behaviors changed drastically. The cIC was identified to be about 600mmol/L. Estimation of PEI grafting-layer thickness suggests that PEI chains formed an extended three-dimensional grafting-layer at IC>cIC, which provided high flexibility as well as accessibility of the chains for protein binding. Therefore, at IC>cIC, the adjacent PEI chains became close and flexible enough, leading to facilitated transport of adsorbed protein molecules by the interactions of neighboring chains mediated by the bound molecules. It is regarded as "chain delivery" effect. At the same time, improved accessibility of binding sites led the

Organic Adsorption Capacity of Aluminum for Potential Mars Sample Return Contamination Analysis

NASA Astrophysics Data System (ADS)

Skoog, E. J.; Tuite, M. L., Jr.; Williford, K. H.

2017-12-01

The NASA Mars 2020 rover will sample martian rock and regolith as it searches for biosignatures and chemical potential for life. Possible contamination of martian samples by Earth-derived organic and inorganic materials poses a challenge to the ultimate goal of determining whether features detected within samples are of martian origin. To address this issue, Mars 2020 will implement a contamination knowledge strategy that includes "witness blanks": special sample tubes that contain multiple "getter" materials designed to witness any ambient contamination in the environment during sampling events on Mars. One getter material being considered for use inside witness tubes is aluminum foil. Here we present data from a series of experiments to evaluate the capacity of aluminum foil to adsorb organics and release them by solvent extraction. Strips of clean aluminum foil were suspended in closed vials containing 0.15 mg of pyrene and heated to 50°C to provide a bounding case for ambient pyrene concentration. Another set of foil strips in vials was stored at -20°C to better simulate martian conditions. After ten weeks, these foil strips were exposed to pyrene at additive 15 minute increments to test the time dependence of pyrene adsorption at -20°C. Foil strips were removed from vials and subjected to solvent extraction gas chromatography mass spectrometry. Preliminary results suggest that the pyrene adsorption capacity of aluminum at 50°C is 1-10 ng/cm2 after 24 hours. Further research will test the adsorption capacity of aluminum at varying temperatures, varying times, and varying organic compositions.

The Adsorption Capacity of GONs/CMC/Fe₃O₄ Magnetic Composite Microspheres and Applications for Purifying Dye Wastewater.

PubMed

Lv, Shenghua; Zhu, Linlin; Li, Ying; Jia, Chunmao; Sun, Shiyu

2017-01-11

Graphene oxide nanosheets (GONs)/carboxymethyl chitosan (CMC)/Fe₃O₄ magnetic composite microspheres (MCMs) were prepared by enclosing Fe₃O₄ particles with CMC and GONs in turn. The microstructures of GONs and GONs/CMC/Fe₃O₄ MCMs were characterized by FTIR, XRD, TEM, and SEM. The effects of GON content, pH value, and adsorption time on the adsorption capacity of the MCMs were investigated. The results show that the GONs/CMC/Fe₃O₄ MCMs have a greater specific surface area and a strong adsorption capacity for dye wastewater. Meanwhile, the adsorption mechanism was investigated, and the results accorded with the pseudo-second-order kinetic model and the Freundlich isotherm model. The search results indicate that GONs/CMC/Fe₃O₄ MCMs can be used to purify dye wastewater and has an important potential use in the practical purification of dye wastewater.

Effect of surface area and chemisorbed oxygen on the SO2 adsorption capacity of activated char

USGS Publications Warehouse

Lizzio, A.A.; DeBarr, J.A.

1996-01-01

The objective of this study was to determine whether activated char produced from Illinois coal could be used effectively to remove sulfur dioxide from coal combustion flue gas. Chars were prepared from a high-volatile Illinois bituminous coal under a wide range of pyrolysis and activation conditions. A novel char preparation technique was developed to prepare chars with SO2 adsorption capacities significantly greater than that of a commercial activated carbon. In general, there was no correlation between SO2 adsorption capacity and surface area. Temperature-programmed desorption (TPD) was used to determine the nature and extent of carbon-oxygen (C-O) complexes formed on the char surface. TPD data revealed that SO2 adsorption was inversely proportional to the amount of C-O complex. The formation of a stable C-O complex during char preparation may have served only to occupy carbon sites that were otherwise reactive towards SO2 adsorption. A fleeting C(O) complex formed during SO2 adsorption is postulated to be the reaction intermediate necessary for conversion of SO2 to H2SO4. Copyright ?? 1996 Elsevier Science Ltd.

Functionalized SBA-15 materials for bilirubin adsorption

NASA Astrophysics Data System (ADS)

Tang, Tao; Zhao, Yanling; Xu, Yao; Wu, Dong; Xu, Jun; Deng, Feng

2011-05-01

To investigate the driving force for bilirubin adsorption on mesoporous materials, a comparative study was carried out between pure siliceous SBA-15 and three functionalized SBA-15 mesoporous materials: CH 3-SBA-15 (MS), NH 2-SBA-15 (AS), and CH 3/NH 2-SBA-15 (AMS) that were synthesized by one-pot method. The obtained materials exhibited large surface areas (553-810 m 2/g) and pore size (6.6-7.1 nm) demonstrated by XRD and N 2-ad/desorption analysis. The SEM images showed that the materials had similar fiberlike morphology. The functionalization extent was calculated according to 29Si MAS NMR spectra and it was close to the designed value (10%). The synthesized mesoporous materials were used as bilirubin adsorbents and showed higher bilirubin adsorption capacities than the commercial active carbon. The adsorption capacities of amine functionalized samples AMS and AS were larger than those of pure siliceous SBA-15 and MS, indicating that electrostatic interaction was the dominant driving force for bilirubin adsorption on mesoporous materials. Increasing the ionic strength of bilirubin solution by adding NaCl would decrease the bilirubin adsorption capacity of mesoporous material, which further demonstrated that the electrostatic interaction was the dominant driving force for bilirubin adsorption. In addition, the hydrophobic interaction provided by methyl groups could promote the bilirubin adsorption.

Enhancing adsorption capacity of toxic malachite green dye through chemically modified breadnut peel: equilibrium, thermodynamics, kinetics and regeneration studies.

PubMed

Chieng, Hei Ing; Lim, Linda B L; Priyantha, Namal

2015-01-01

Breadnut skin, in both its unmodified (KS) and base-modified (BM-KS) forms, was investigated for its potential use as a low-cost adsorbent for the removal of toxic dye, malachite green (MG). Characterization of the adsorbents was carried out using scanning electron microscope, X-ray fluorescence and Fourier transform infra-red spectroscopy. Batch adsorption experiments, carried out under optimized conditions, for the adsorption of MG were fitted using five isotherm models (Langmuir, Freundlich, Dubinin-Radushkevich, Temkin and Sips) and six error functions to determine the best-fit model. The adsorption capacity was greatly enhanced when breadnut skin was chemically modified with NaOH, leading to an adsorption capacity of 353.0 mg g(-1), that was far superior to most reported adsorbents for the removal of MG. Thermodynamics studies indicated that the adsorption of MG was spontaneous on KS and BM-KS, and the reactions were endothermic and exothermic, respectively. Kinetics studies showed that both followed the pseudo-second order. Regeneration experiments on BM-KS indicated that its adsorption capacity was still maintained at>90% even after five cycles. It can be concluded that NaOH-modified breadfruit skin has great potential to be utilized in real-life application as a low-cost adsorbent for the removal of MG in wastewater treatment.

Surface complexation modeling calculation of Pb(II) adsorption onto the calcined diatomite

NASA Astrophysics Data System (ADS)

Ma, Shu-Cui; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

2015-12-01

Removal of noxious heavy metal ions (e.g. Pb(II)) by surface adsorption of minerals (e.g. diatomite) is an important means in the environmental aqueous pollution control. Thus, it is very essential to understand the surface adsorptive behavior and mechanism. In this work, the Pb(II) apparent surface complexation reaction equilibrium constants on the calcined diatomite and distributions of Pb(II) surface species were investigated through modeling calculations of Pb(II) based on diffuse double layer model (DLM) with three amphoteric sites. Batch experiments were used to study the adsorption of Pb(II) onto the calcined diatomite as a function of pH (3.0-7.0) and different ionic strengths (0.05 and 0.1 mol L-1 NaCl) under ambient atmosphere. Adsorption of Pb(II) can be well described by Freundlich isotherm models. The apparent surface complexation equilibrium constants (log K) were obtained by fitting the batch experimental data using the PEST 13.0 together with PHREEQC 3.1.2 codes and there is good agreement between measured and predicted data. Distribution of Pb(II) surface species on the diatomite calculated by PHREEQC 3.1.2 program indicates that the impurity cations (e.g. Al3+, Fe3+, etc.) in the diatomite play a leading role in the Pb(II) adsorption and dominant formation of complexes and additional electrostatic interaction are the main adsorption mechanism of Pb(II) on the diatomite under weak acidic conditions.

Modified inverse micelle synthesis for mesoporous alumina with a high D4 siloxane adsorption capacity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhong, Wei; Jiang, Ting; Jafari, Tahereh

In this work, mesoporous aluminas (MAs) with uniform and monomodal pores were fabricated via a modified inverse micelle synthesis method, using a non-polar solvent (to minimize the effect of water content) and short reaction time (for a fast evaporation process). The effects of reaction times (4–8 h), surfactant chain lengths (non-ionic surfactants), and calcination temperatures and hold times (450–600 °C; 1–4 h) on the textural properties of MA were studied. Additionally, the targeted pore sizes of MA were obtained in the range of 3.1–5.4 nm by adjusting the surfactant and reaction time. The surface area and pore volume were controlledmore » by the calcination temperature and hold time while maintaining the thermal stability of the materials. The tuned MA of the large mesopore volume achieved 168 mg/g octamethylcyclotetrasiloxane (D4 siloxane) adsorption capacity, a 32% improvement compared to commercially activated alumina. Finally, after three adsorption recycles, the synthesized MA still maintained approximate 85% of its original adsorption capacity, demonstrating a sustainable adsorption performance and high potential for related industrial applications.« less

Modified inverse micelle synthesis for mesoporous alumina with a high D4 siloxane adsorption capacity

DOE PAGES

Zhong, Wei; Jiang, Ting; Jafari, Tahereh; ...

2016-10-18

In this work, mesoporous aluminas (MAs) with uniform and monomodal pores were fabricated via a modified inverse micelle synthesis method, using a non-polar solvent (to minimize the effect of water content) and short reaction time (for a fast evaporation process). The effects of reaction times (4–8 h), surfactant chain lengths (non-ionic surfactants), and calcination temperatures and hold times (450–600 °C; 1–4 h) on the textural properties of MA were studied. Additionally, the targeted pore sizes of MA were obtained in the range of 3.1–5.4 nm by adjusting the surfactant and reaction time. The surface area and pore volume were controlledmore » by the calcination temperature and hold time while maintaining the thermal stability of the materials. The tuned MA of the large mesopore volume achieved 168 mg/g octamethylcyclotetrasiloxane (D4 siloxane) adsorption capacity, a 32% improvement compared to commercially activated alumina. Finally, after three adsorption recycles, the synthesized MA still maintained approximate 85% of its original adsorption capacity, demonstrating a sustainable adsorption performance and high potential for related industrial applications.« less

Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations.

PubMed

Chen, Yuhong; Wang, Jing; Yuan, Lihua; Zhang, Meiling; Zhang, Cairong

2017-08-02

The generalized gradient approximation (GGA) function based on density functional theory is adopted to investigate the optimized geometrical structure, electron structure and hydrogen storage performance of Sc modified porous graphene (PG). It is found that the carbon ring center is the most stable adsorbed position for a single Sc atom on PG, and the maximum number of adsorbed H₂ molecules is four with the average adsorption energy of -0.429 eV/H₂. By adding a second Sc atom on the other side of the system, the hydrogen storage capacity of the system can be improved effectively. Two Sc atoms located on opposite sides of the PG carbon ring center hole is the most suitable hydrogen storage structure, and the hydrogen storage capacity reach a maximum 9.09 wt % at the average adsorption energy of -0.296 eV/H₂. The adsorption of H₂ molecules in the PG system is mainly attributed to orbital hybridization among H, Sc, and C atoms, and Coulomb attraction between negatively charged H₂ molecules and positively charged Sc atoms.

Sc-Decorated Porous Graphene for High-Capacity Hydrogen Storage: First-Principles Calculations

PubMed Central

Chen, Yuhong; Wang, Jing; Yuan, Lihua; Zhang, Meiling

2017-01-01

The generalized gradient approximation (GGA) function based on density functional theory is adopted to investigate the optimized geometrical structure, electron structure and hydrogen storage performance of Sc modified porous graphene (PG). It is found that the carbon ring center is the most stable adsorbed position for a single Sc atom on PG, and the maximum number of adsorbed H2 molecules is four with the average adsorption energy of −0.429 eV/H2. By adding a second Sc atom on the other side of the system, the hydrogen storage capacity of the system can be improved effectively. Two Sc atoms located on opposite sides of the PG carbon ring center hole is the most suitable hydrogen storage structure, and the hydrogen storage capacity reach a maximum 9.09 wt % at the average adsorption energy of −0.296 eV/H2. The adsorption of H2 molecules in the PG system is mainly attributed to orbital hybridization among H, Sc, and C atoms, and Coulomb attraction between negatively charged H2 molecules and positively charged Sc atoms. PMID:28767084

Experimental investigation and DFT calculation of different amine/ammonium salts adsorption on kaolinite

NASA Astrophysics Data System (ADS)

Chen, Jun; Min, Fan-fei; Liu, Lingyun; Liu, Chunfu; Lu, Fangqin

2017-10-01

The adsorption of four different amine/ammonium salts of DDA (Dodecyl amine), MDA (N-methyldodecyl amine), DMDA (N,N-dimethyldodecyl amine) and DTAC (Dodecyl trimethyl ammonium chloride) on kaolinite particles was investigated in the study through the measurement of contact angles, zeta potentials, aggregation observation, adsorption and sedimentation. The results show that different amine/ammonium salts can adsorb on the kaolinite surface to enhance the hydrophobicity and reduce the electronegativity of kaolinite particle surface, and thus induce a strong hydrophobic aggregation of kaolinite particles which promotes the settlement of kaolinite. To explore the adsorption mechanism of these four amine/ammonium salts on kaolinite surfaces, the adsorptions of DDA+, MDA+, DMDA+ and DTAC+ on kaolinite (001) surface and (00 1 bar) surface are calculated with DFT (Density functional theory). The DFT calculation results indicate that different amine/ammonium cations can strongly adsorbed on kaolinite (001) surface and (00 1 bar) surface by forming Nsbnd H⋯O strong hydrogen bonds or Csbnd H⋯O weak hydrogen bonds, and there are strongly electrostatic attractions between different amine/ammonium cations and kaolinite surfaces. The main adsorption mechanism of amine/ammonium cations on kaolinite is hydrogen-bond interaction and electrostatic attraction.

Consequence of chitosan treating on the adsorption of humic acid by granular activated carbon.

PubMed

Maghsoodloo, Sh; Noroozi, B; Haghi, A K; Sorial, G A

2011-07-15

In this work, equilibrium and kinetic adsorption of humic acid (HA) onto chitosan treated granular activated carbon (MGAC) has been investigated and compared to the granular activated carbon (GAC). The adsorption equilibrium data showed that adsorption behaviour of HA could be described reasonably well by Langmuir adsorption isotherm for GAC and Freundlich adsorption isotherm for MGAC. It was shown that pre-adsorption of chitosan onto the surface of GAC improved the adsorption capacity of HA changing the predominant adsorption mechanism. Monolayer capacities for the adsorption of HA onto GAC and MGAC were calculated 55.8 mg/g and 71.4 mg/g, respectively. Kinetic studies showed that film diffusion and intra-particle diffusion were simultaneously operating during the adsorption process for MGAC. Copyright © 2011 Elsevier B.V. All rights reserved.

Removal of cesium from simulated liquid waste with countercurrent two-stage adsorption followed by microfiltration.

PubMed

Han, Fei; Zhang, Guang-Hui; Gu, Ping

2012-07-30

Copper ferrocyanide (CuFC) was used as an adsorbent to remove cesium. Jar test results showed that the adsorption capacity of CuFC was better than that of potassium zinc hexacyanoferrate. Lab-scale tests were performed by an adsorption-microfiltration process, and the mean decontamination factor (DF) was 463 when the initial cesium concentration was 101.3μg/L, the dosage of CuFC was 40mg/L and the adsorption time was 20min. The cesium concentration in the effluent continuously decreased with the operation time, which indicated that the used adsorbent retained its adsorption capacity. To use this capacity, experiments on a countercurrent two-stage adsorption (CTA)-microfiltration (MF) process were carried out with CuFC adsorption combined with membrane separation. A calculation method for determining the cesium concentration in the effluent was given, and batch tests in a pressure cup were performed to verify the calculated method. The results showed that the experimental values fitted well with the calculated values in the CTA-MF process. The mean DF was 1123 when the dilution factor was 0.4, the initial cesium concentration was 98.75μg/L and the dosage of CuFC and adsorption time were the same as those used in the lab-scale test. The DF obtained by CTA-MF process was more than three times higher than the single-stage adsorption in the jar test. Copyright © 2012 Elsevier B.V. All rights reserved.

Chromatographic performance of monolithic and particulate stationary phases. Hydrodynamics and adsorption capacity.

PubMed

Leinweber, Felix C; Tallarek, Ulrich

2003-07-18

Monolithic chromatographic support structures offer, as compared to the conventional particulate materials, a unique combination of high bed permeability, optimized solute transport to and from the active surface sites and a high loading capacity by the introduction of hierarchical order in the interconnected pore network and the possibility to independently manipulate the contributing sets of pores. While basic principles governing flow resistance, axial dispersion and adsorption capacity are remaining identical, and a similarity to particulate systems can be well recognized on that basis, a direct comparison of sphere geometry with monolithic structures is less obvious due, not least, to the complex shape of theskeleton domain. We present here a simple, widely applicable, phenomenological approach for treating single-phase incompressible flow through structures having a continuous, rigid solid phase. It relies on the determination of equivalent particle (sphere) dimensions which characterize the corresponding behaviour in a particulate, i.e. discontinuous bed. Equivalence is then obtained by dimensionless scaling of macroscopic fluid dynamical behaviour, hydraulic permeability and hydrodynamic dispersion in both types of materials, without needing a direct geometrical translation of their constituent units. Differences in adsorption capacity between particulate and monolithic stationary phases show that the silica-based monoliths with a bimodal pore size distribution provide, due to the high total porosity of the material of more than 90%, comparable maximum loading capacities with respect to random-close packings of completely porous spheres.

A Modular Approach To Study Protein Adsorption on Surface Modified Hydroxyapatite.

PubMed

Ozhukil Kollath, Vinayaraj; Van den Broeck, Freya; Fehér, Krisztina; Martins, José C; Luyten, Jan; Traina, Karl; Mullens, Steven; Cloots, Rudi

2015-07-13

Biocompatible inorganic nano- and microcarriers can be suitable candidates for protein delivery. This study demonstrates facile methods of functionalization by using nanoscale linker molecules to change the protein adsorption capacity of hydroxyapatite (HA) powder. The adsorption capacity of bovine serum albumin as a model protein has been studied with respect to the surface modifications. The selected linker molecules (lysine, arginine, and phosphoserine) can influence the adsorption capacity by changing the electrostatic nature of the HA surface. Qualitative and quantitative analyses of linker-molecule interactions with the HA surface have been performed by using NMR spectroscopy, zeta-potential measurements, X-ray photoelectron spectroscopy, and thermogravimetric analyses. Additionally, correlations to theoretical isotherm models have been calculated with respect to Langmuir and Freundlich isotherms. Lysine and arginine increased the protein adsorption, whereas phosphoserine reduced the protein adsorption. The results show that the adsorption capacity can be controlled with different functionalization, depending on the protein-carrier selections under consideration. The scientific knowledge acquired from this study can be applied in various biotechnological applications that involve biomolecule-inorganic material interfaces. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chloride Ion Adsorption Capacity of Anion Exchange Resin in Cement Mortar

PubMed Central

Lee, Hanseung; Jung, Dohyun; Chen, Zhengxin

2018-01-01

This paper presents the effect of anion exchange resin (AER) on the adsorption of chloride ions in cement mortar. The kinetic and equilibrium behaviors of AER were investigated in distilled water and Ca(OH)2 saturated solutions, and then the adsorption of chloride ions by the AER in the mortar specimen was determined. The AER was used as a partial replacement for sand in the mortar specimen. The mortar specimen was coated with epoxy, except for an exposed surface, and then immersed in a NaCl solution for 140 days. The chloride content in the mortar specimen was characterized by energy dispersive X-ray fluorescence analysis and electron probe microanalysis. The results showed that the AER could adsorb the chloride ions from the solution rapidly but had a relatively low performance when the pH of its surrounding environment increased. When the AER was mixed in the cement mortar, its chloride content was higher than that of the cement matrix around it, which confirms the chloride ion adsorption capacity of the AER. PMID:29621188

Chloride Ion Adsorption Capacity of Anion Exchange Resin in Cement Mortar.

PubMed

Lee, Yunsu; Lee, Hanseung; Jung, Dohyun; Chen, Zhengxin; Lim, Seungmin

2018-04-05

This paper presents the effect of anion exchange resin (AER) on the adsorption of chloride ions in cement mortar. The kinetic and equilibrium behaviors of AER were investigated in distilled water and Ca(OH)₂ saturated solutions, and then the adsorption of chloride ions by the AER in the mortar specimen was determined. The AER was used as a partial replacement for sand in the mortar specimen. The mortar specimen was coated with epoxy, except for an exposed surface, and then immersed in a NaCl solution for 140 days. The chloride content in the mortar specimen was characterized by energy dispersive X-ray fluorescence analysis and electron probe microanalysis. The results showed that the AER could adsorb the chloride ions from the solution rapidly but had a relatively low performance when the pH of its surrounding environment increased. When the AER was mixed in the cement mortar, its chloride content was higher than that of the cement matrix around it, which confirms the chloride ion adsorption capacity of the AER.

Adsorption of reovirus to clay minerals: effects of cation-exchange capacity, cation saturation, and surface area.

PubMed Central

Lipson, S M; Stotzky, G

1983-01-01

The adsorption of reovirus to clay minerals has been reported by several investigators, but the mechanisms defining this association have been studied only minimally. The purpose of this investigation was to elucidate the mechanisms involved with this interaction. More reovirus type 3 was adsorbed, in both distilled and synthetic estuarine water, by low concentrations of montmorillonite than by comparable concentrations of kaolinite containing a mixed complement of cations on the exchange complex. Adsorption to the clays was essentially immediate and was correlated with the cation-exchange capacity of the clays, indicating that adsorption was primarily to negatively charged sites on the clays. Adsorption was greater with low concentrations of clays in estuarine water than in distilled water, as the higher ionic strength of the estuarine water reduced the electrokinetic potential of both clay and virus particles. The addition of cations (as chloride salts) to distilled water enhanced adsorption, with divalent cations being more effective than monovalent cations and 10(-2) M resulting in more adsorption than 10(-3) M. Potassium ions suppressed reovirus adsorption to montmorillonite, probably by collapsing the clay lattices and preventing the expression of the interlayer-derived cation-exchange capacity. More virus was adsorbed by montmorillonite made homoionic to various mono-, di-, and trivalent cations (except by montmorillonite homoionic to potassium) than by comparable concentrations of kaolinite homoionic to the same cations. The sequence of the amount of adsorption to homoionic montmorillonite was Al greater than Ca greater than Mg greater than Na greater than K; the sequence of adsorption to kaolinite was Na greater than Al greater than Ca greater than Mg greater than K. The constant partition-type adsorption isotherms obtained when the clay concentration was maintained constant and the virus concentration was varied indicated that a fixed proportion of the

A Porous Aromatic Framework Constructed from Benzene Rings Has a High Adsorption Capacity for Perfluorooctane Sulfonate

PubMed Central

Luo, Qin; Zhao, Changwei; Liu, Guixia; Ren, Hao

2016-01-01

A low-cost and easily constructed porous aromatic framework (PAF-45) was successfully prepared using the Scholl reaction. PAF-45 was, for the first time, used to remove perfluorooctane sulfonate (PFOS) from aqueous solution. Systematic experiments were performed to determine the adsorption capacity of PAF-45 for PFOS and to characterize the kinetics of the adsorption process. The adsorption of PFOS onto PAF-45 reached equilibrium in 30 min, and the adsorption capacity of PAF-45 for PFOS was excellent (5847 mg g−1 at pH 3). The amount of PFOS adsorbed by PAF-45 increased significantly as the cation (Na+, Mg2+, or Fe3+) concentration increased, which probably occurred because the cations enhanced the interactions between the negatively charged PFOS molecules and the positively charged PAF-45 surface. The cations Na+, Mg2+, and Fe3+ were found to form complexes with PFOS anions in solution. Density functional theory was used to identify the interactions between PFOS and Na+, Mg2+, and Fe3+. We expect that materials of the same type as PAF-45 could be useful adsorbents for removing organic pollutants from industrial wastewater and contaminated surface water. PMID:26843015

A Porous Aromatic Framework Constructed from Benzene Rings Has a High Adsorption Capacity for Perfluorooctane Sulfonate.

PubMed

Luo, Qin; Zhao, Changwei; Liu, Guixia; Ren, Hao

2016-02-04

A low-cost and easily constructed porous aromatic framework (PAF-45) was successfully prepared using the Scholl reaction. PAF-45 was, for the first time, used to remove perfluorooctane sulfonate (PFOS) from aqueous solution. Systematic experiments were performed to determine the adsorption capacity of PAF-45 for PFOS and to characterize the kinetics of the adsorption process. The adsorption of PFOS onto PAF-45 reached equilibrium in 30 min, and the adsorption capacity of PAF-45 for PFOS was excellent (5847 mg g(-1) at pH 3). The amount of PFOS adsorbed by PAF-45 increased significantly as the cation (Na(+), Mg(2+), or Fe(3+)) concentration increased, which probably occurred because the cations enhanced the interactions between the negatively charged PFOS molecules and the positively charged PAF-45 surface. The cations Na(+), Mg(2+), and Fe(3+) were found to form complexes with PFOS anions in solution. Density functional theory was used to identify the interactions between PFOS and Na(+), Mg(2+), and Fe(3+). We expect that materials of the same type as PAF-45 could be useful adsorbents for removing organic pollutants from industrial wastewater and contaminated surface water.

Functionalized graphene sheets with poly(ionic liquid)s and high adsorption capacity of anionic dyes

NASA Astrophysics Data System (ADS)

Zhao, Weifeng; Tang, Yusheng; Xi, Jia; Kong, Jie

2015-01-01

Graphene sheets were covalently functionalized with poly(1-vinylimidazole) (PVI) type poly(ionic liquid), by utilizing a diazonium addition reaction and the subsequent grafting of PVI polymers onto the graphene sheet surface by a quaternarization reaction. The resultant modified graphene sheets showed improved dispersion property when being dissolved in DMF and ethanol. FTIR, XPS, XRD and TEM observations confirmed the success of the covalent functionalization, and thermogravimetric analysis revealed that the grafting ratio of PVI was ∼12 wt%. The obtained PVI-functionalized graphene showed a high capability for removing anionic dyes such as methyl blue (MB) from water solution. The experimental data of isotherm fitted well with the Langmuir adsorption model. The adsorption capacity of 1910 mg g-1 for methyl blue (MB) dye was observed for functionalized graphene sheets with poly(ionic liquid)s, which was higher than that of unmodified graphene. The high adsorption capacity observed in this study emphasizes that poly(ionic liquid)s-modified graphene materials have a great potential for water purification as they are highly efficient and stable adsorbents for sustainability.

Gas adsorption capacity in an all carbon nanomaterial composed of carbon nanohorns and vertically aligned carbon nanotubes.

PubMed

Puthusseri, Divya; Babu, Deepu J; Okeil, Sherif; Schneider, Jörg J

2017-10-04

Whereas vertically aligned carbon nanotubes (VACNTs) typically show a promising adsorption behavior at high pressures, carbon nanohorns (CNHs) exhibit superior gas adsorption properties in the low pressure regime due to their inherent microporosity. These adsorption characteristics are further enhanced when both materials are opened at their tips. The so prepared composite material allows one to investigate the effect of physical entrapment of CO 2 molecules within the specific adsorption sites of VACNTs composed of opened double walled carbon nanotubes (CNTs) and in specific adsorption sites created by spherically aggregated opened single walled carbon nanohorns. Combining 50 wt% of tip opened CNTs with tip opened CNHs increases the CO 2 adsorption capacity of this material by ∼24% at 30 bar and 298 K compared to opened CNHs alone.

Comparative study of carbon nanotubes and granular activated carbon: Physicochemical properties and adsorption capacities.

PubMed

Gangupomu, Roja Haritha; Sattler, Melanie L; Ramirez, David

2016-01-25

The overall goal was to determine an optimum pre-treatment condition for carbon nanotubes (CNTs) to facilitate air pollutant adsorption. Various combinations of heat and chemical pre-treatment were explored, and toluene was tested as an example hazardous air pollutant adsorbate. Specific objectives were (1) to characterize raw and pre-treated single-wall (SW) and multi-wall (MW) CNTs and compare their physical/chemical properties to commercially available granular activated carbon (GAC), (2) to determine the adsorption capacities for toluene onto pre-treated CNTs vs. GAC. CNTs were purified via heat-treatment at 400 °C in steam, followed by nitric acid treatment (3N, 5N, 11N, 16N) for 3-12 h to create openings to facilitate adsorption onto interior CNT sites. For SWNT, Raman spectroscopy showed that acid treatment removed impurities up to a point, but amorphous carbon reformed with 10h-6N acid treatment. Surface area of SWNTs with 3 h-3N acid treatment (1347 m(2)/g) was higher than the raw sample (1136 m(2)/g), and their toluene maximum adsorption capacity was comparable to GAC. When bed effluent reached 10% of inlet concentration (breakthrough indicating time for bed cleaning), SWNTs had adsorbed 240 mg/g of toluene, compared to 150 mg/g for GAC. Physical/chemical analyses showed no substantial difference for pre-treated vs. raw MWNTs. Copyright © 2015 Elsevier B.V. All rights reserved.

Preparation and properties of chitosan-metal complex: Some factors influencing the adsorption capacity for dyes in aqueous solution.

PubMed

Rashid, Sadia; Shen, Chensi; Yang, Jing; Liu, Jianshe; Li, Jing

2018-04-01

Chitosan-metal complexes have been widely studied in wastewater treatment, but there are still various factors in complex preparation which are collectively responsible for improving the adsorption capacity need to be further studied. Thus, this study investigates the factors affecting the adsorption ability of chitosan-metal complex adsorbents, including various kinds of metal centers, different metal salts and crosslinking degree. The results show that the chitosan-Fe(III) complex prepared by sulfate salts exhibited the best adsorption efficiency (100%) for various dyes in very short time duration (10min), and its maximum adsorption capacity achieved 349.22mg/g. The anion of the metal salt which was used in preparation played an important role to enhance the adsorption ability of chitosan-metal complex. SO 4 2- ions not only had the effect of crosslinking through electrostatic interaction with amine group of chitosan polymer, but also could facilitate the chelation of metal ions with chitosan polymer during the synthesis process. Additionally, the pH sensitivity and the sensitivity of ionic environment for chitosan-metal complex were analyzed. We hope that these factors affecting the adsorption of the chitosan-metal complex can help not only in optimizing its use but also in designing new chitosan-metal based complexes. Copyright © 2017. Published by Elsevier B.V.

Powder-based adsorbents having high adsorption capacities for recovering dissolved metals and methods thereof

DOEpatents

Janke, Christopher J.; Dai, Sheng; Oyola, Yatsandra

2016-05-03

A powder-based adsorbent and a related method of manufacture are provided. The powder-based adsorbent includes polymer powder with grafted side chains and an increased surface area per unit weight to increase the adsorption of dissolved metals, for example uranium, from aqueous solutions. A method for forming the powder-based adsorbent includes irradiating polymer powder, grafting with polymerizable reactive monomers, reacting with hydroxylamine, and conditioning with an alkaline solution. Powder-based adsorbents formed according to the present method demonstrated a significantly improved uranium adsorption capacity per unit weight over existing adsorbents.

Foam-based adsorbents having high adsorption capacities for recovering dissolved metals and methods thereof

DOEpatents

Janke, Christopher J.; Dai, Sheng; Oyola, Yatsandra

2015-06-02

Foam-based adsorbents and a related method of manufacture are provided. The foam-based adsorbents include polymer foam with grafted side chains and an increased surface area per unit weight to increase the adsorption of dissolved metals, for example uranium, from aqueous solutions. A method for forming the foam-based adsorbents includes irradiating polymer foam, grafting with polymerizable reactive monomers, reacting with hydroxylamine, and conditioning with an alkaline solution. Foam-based adsorbents formed according to the present method demonstrated a significantly improved uranium adsorption capacity per unit weight over existing adsorbents.

Reactive adsorption of SO2 on activated carbons with deposited iron nanoparticles.

PubMed

Arcibar-Orozco, Javier A; Rangel-Mendez, J Rene; Bandosz, Teresa J

2013-02-15

The effect of iron particle size anchored on the surface of commercial activated carbon on the removal of SO(2) from a gas phase was studied. Nanosize iron particles were deposited using forced hydrolysis of FeCl(3) with or without H(3)PO(4) as a capping agent. Dynamic adsorption experiments were carried out on either dry or pre-humidified materials and the adsorption capacities were calculated. The surface of the initial and exhausted materials was extensively characterized by microscopic, porosity, thermogravimetric and surface chemistry. The results indicate that the SO(2) adsorption capacity increased two and half times after the prehumidification process owing to the formation of H(2)SO(4) in the porous system. Iron species enhance the SO(2) adsorption capacity only when very small nanoparticles are deposited on the pore walls as a thin layer. Large iron nanoparticles block the ultramicropores decreasing the accessibility of the active sites and consuming oxygen that rest adsorption centers for SO(2) molecules. Iron nanoparticles of about 3-4 nm provide highly dispersed adsorption sites for SO(2) molecules and thus increase the adsorption capacity of about 80%. Fe(2)(SO(4))(3) was detected on the surface of exhausted samples. Copyright © 2012 Elsevier B.V. All rights reserved.

Enhanced chromium adsorption capacity via plasma modification of natural zeolites

NASA Astrophysics Data System (ADS)

Cagomoc, Charisse Marie D.; Vasquez, Magdaleno R., Jr.

2017-01-01

Natural zeolites such as mordenite are excellent adsorbents for heavy metals. To enhance the adsorption capacity of zeolite, sodium-exchanged samples were irradiated with 13.56 MHz capacitively coupled radio frequency (RF) argon gas discharge. Hexavalent chromium [Cr(VI)] was used as the test heavy metal. Pristine and plasma-treated zeolite samples were soaked in 50 mg/L Cr solution and the amount of adsorbed Cr(VI) on the zeolites was calculated at predetermined time intervals. Compared with untreated zeolite samples, initial Cr(VI) uptake was 70% higher for plasma-treated zeolite granules (50 W 30 min) after 1 h of soaking. After 24 h, all plasma-treated zeolites showed increased Cr(VI) uptake. For a 2- to 4-month period, Cr(VI) uptake increased about 130% compared with untreated zeolite granules. X-ray diffraction analyses between untreated and treated zeolite samples revealed no major difference in terms of its crystal structure. However, for plasma-treated samples, an increase in the number of surface defects was observed from scanning electron microscopy images. This increase in the number of surface defects induced by plasma exposure played a crucial role in increasing the number of active sorption sites on the zeolite surface.

Ab Initio Cluster Calculations for the Adsorption of Small Molecules on Oxide Surfaces - from Single Molecules to Monolayers

NASA Astrophysics Data System (ADS)

Pykavy, M.; Staemmler, V.; Rittner, F.

2000-04-01

Quantum chemical ab initio cluster calculations were performed for the adsorption of small molecules on metal oxide surfaces. Two systems were studied in detail: The adsorption of N2 on the (110) surface plane of TiO2 (rutile) and the adsorption of CO on the polar (0001) surface of Cr2O3. In both cases a full five-dimensional potential for the interaction of a single molecule with the respective surface was calculated. For N2/TiO2 (110) the minimum was found for the end-on adsorption of N2 atop a coordinately unsaturated surface Ti atom, with an adsorption energy of (35 ± 5) kJ/mol. In the case of CO/Cr2O3 (0001) the CO molecule is adsorbed strongly tilted (almost side-on) along a line connecting two Cr3+ ions at the surface; the calculated adsorption energy is 22 kJ/mol. In conjunction with empirical pair potentials for the N2/N2 and CO/CO interaction in the gas phase, Monte Carlo simulations were carried out to determine adsorption isotherms and the geometric structure of adsorbed monolayers.

The Influence of Salt Anions on Heavy Metal Ion Adsorption on the Example of Nickel

PubMed Central

Mende, Mandy; Schwarz, Dana; Steinbach, Christine; Schwarz, Simona

2018-01-01

The biodegradable polysaccharide chitosan possesses protonated and natural amino groups at medium pH values and has therefore been used as an adsorbing material for nickel salts in water treatment. Nickel is a problematic heavy metal ion which can cause various diseases and disorders in living organisms. Here, we show the influence of oxyanions (e.g., nitrate and sulfate) to the adsorption of nickel ions. Hence, simultaneously we are addressing the increasing global problem of nitrate and sulfate ion pollution in groundwater and surface water. A series of adsorption experiments was carried out in order to determine (i) the adsorption equilibrium, (ii) the adsorption capacity in dependence on the initial nickel ion concentration, and (iii) the influence of the anion presented in solution for the adsorption capacity. Surface morphology of chitosan flakes before and after the adsorption process has been studied with SEM-EDX analysis. The chitosan flakes exhibited promising adsorption capacities of 81.9 mg·g−1 and 21.2 mg·g−1 for nickel (sulfate) and nickel (nitrate), respectively. The calculated values of Gibbs free energy change ΔG0 confirm the higher adsorption of nickel ions in presence of sulfate ions. Hence, higher anion valence leads to a higher adsorption capacity. PMID:29510485

The Adsorption Capacity of GONs/CMC/Fe3O4 Magnetic Composite Microspheres and Applications for Purifying Dye Wastewater

PubMed Central

Lv, Shenghua; Zhu, Linlin; Li, Ying; Jia, Chunmao; Sun, Shiyu

2017-01-01

Graphene oxide nanosheets (GONs)/carboxymethyl chitosan (CMC)/Fe3O4 magnetic composite microspheres (MCMs) were prepared by enclosing Fe3O4 particles with CMC and GONs in turn. The microstructures of GONs and GONs/CMC/Fe3O4 MCMs were characterized by FTIR, XRD, TEM, and SEM. The effects of GON content, pH value, and adsorption time on the adsorption capacity of the MCMs were investigated. The results show that the GONs/CMC/Fe3O4 MCMs have a greater specific surface area and a strong adsorption capacity for dye wastewater. Meanwhile, the adsorption mechanism was investigated, and the results accorded with the pseudo-second-order kinetic model and the Freundlich isotherm model. The search results indicate that GONs/CMC/Fe3O4 MCMs can be used to purify dye wastewater and has an important potential use in the practical purification of dye wastewater. PMID:28772419

Modeling adsorption: Investigating adsorbate and adsorbent properties

NASA Astrophysics Data System (ADS)

Webster, Charles Edwin

1999-12-01

Surface catalyzed reactions play a major role in current chemical production technology. Currently, 90% of all chemicals are produced by heterogeneously catalyzed reactions. Most of these catalyzed reactions involve adsorption, concentrating the substrate(s) (the adsorbate) on the surface of the solid (the adsorbent). Pore volumes, accessible surface areas, and the thermodynamics of adsorption are essential in the understanding of solid surface characteristics fundamental to catalyst and adsorbent screening and selection. Molecular properties such as molecular volumes and projected molecular areas are needed in order to convert moles adsorbed to surface volumes and areas. Generally, these molecular properties have been estimated from bulk properties, but many assumptions are required. As a result, different literature values are employed for these essential molecular properties. Calculated molar volumes and excluded molecular areas are determined and tabulated for a variety of molecules. Molecular dimensions of molecules are important in the understanding of molecular exclusion as well as size and shape selectivity, diffusion, and adsorbent selection. Molecular dimensions can also be used in the determination of the effective catalytic pore size of a catalyst. Adsorption isotherms, on zeolites, (crystalline mineral oxides) and amorphous solids, can be analyzed with the Multiple Equilibrium Analysis (MEA) description of adsorption. The MEA produces equilibrium constants (Ki), capacities (ni), and thermodynamic parameters (enthalpies, ΔHi, and entropies, ΔSi) of adsorption for each process. Pore volumes and accessible surface areas are calculated from the process capacities. Adsorption isotherms can also be predicted for existing and new adsorbate-adsorbent systems with the MEA. The results show that MEA has the potential of becoming a standard characterization method for microporous solids that will lead to an increased understanding of their behavior in gas

Adsorption of Congo red dye onto antimicrobial terephthaloyl thiourea cross-linked chitosan hydrogels.

PubMed

El-Harby, Nouf F; Ibrahim, Shaimaa M A; Mohamed, Nadia A

2017-11-01

Adsorption capacity of three antimicrobial terephthaloyl thiourea cross-linked chitosan hydrogels for Congo red dye removal from its aqueous solution has been investigated for the first time in this work. These hydrogels were prepared by reacting chitosan with various amounts of terephthaloyl diisothiocyanate cross-linker. The effect of the hydrogel structural variations and several dye adsorption processing parameters to achieve the best adsorption capacity were investigated. The hydrogels' structural variations were obtained by varying their terephthaloyl thiourea moieties content. The processing variables included initial concentration of the dye solution, temperature and time of exposure to the dye. The adsorption kinetics and isotherms showed that the sorption processes were better fitted by the pseudo-second-order equation and the Langmuir equation, respectively. On the basis of the Langmuir analysis Congo red dye gave the maximum sorption capacity of 44.248 mg/g. The results obtained confirmed that the sorption phenomena are most likely to be controlled by chemisorption process. The adsorption reaction was endothermic and spontaneous according to the calculated results of adsorption thermodynamics.

Microcolumn studies of dye adsorption onto manganese oxides modified diatomite.

PubMed

Al-Ghouti, M A; Khraisheh, M A M; Ahmad, M N; Allen, S J

2007-07-19

The method described here cannot fully replace the analysis of large columns by small test columns (microcolumns). The procedure, however, is suitable for speeding up the determination of adsorption parameters of dye onto the adsorbent and for speeding up the initial screening of a large adsorbent collection that can be tedious if a several adsorbents and adsorption conditions must be tested. The performance of methylene blue (MB), a basic dye, Cibacron reactive black (RB) and Cibacron reactive yellow (RY) was predicted in this way and the influence of initial dye concentration and other adsorption conditions on the adsorption behaviour were demonstrated. On the basis of the experimental results, it can be concluded that the adsorption of RY onto manganese oxides modified diatomite (MOMD) exhibited a characteristic "S" shape and can be simulated effectively by the Thomas model. It is shown that the adsorption capacity increased as the initial dye concentration increased. The increase in the dye uptake capacity with the increase of the adsorbent mass in the column was due to the increase in the surface area of adsorbent, which provided more binding sites for the adsorption. It is shown that the use of high flow rates reduced the time that RY in the solution is in contact with the MOMD, thus allowing less time for adsorption to occur, leading to an early breakthrough of RY. A rapid decrease in the column adsorption capacity with an increase in particle size with an average 56% reduction in capacity resulting from an increase in the particle size from 106-250 microm to 250-500 microm. The experimental data correlated well with calculated data using the Thomas equation and the bed depth-service time (BDST) equation. Therefore, it might be concluded that the Thomas equation and the BDST equations can produce accurate predication for variation of dye concentration, mass of the adsorbent, flow rate and particle size. In general, the values of adsorption isotherm capacity

Magnetic dendritic materials for highly efficient adsorption of dyes and drugs.

PubMed

Zhou, Li; Gao, Chao; Xu, Weijian

2010-05-01

A versatile and robust adsorbent with both magnetic property and very high adsorption capacity is presented on the basis of functionalization of iron oxide-silica magnetic particles with carboxylic hyperbranched polyglycerol (Fe(3)O(4)/SiO(2)/HPG-COOH). The structure of the resulting product was confirmed by Fourier transform infrared (FTIR) spectra, thermo gravimetric analysis (TGA), zeta-potential, and transmission electron microscopy (TEM). According to the TGA results, the density of the carboxylic groups on the surface of Fe(3)O(4)/SiO(2)/HPG-COOH is calculated to be as high as 3.0 mmol/g, posing a powerful base for adsorbing dyes and drugs. Five kinds of dyes and one representative anticancer drug were chosen to investigate the adsorption capacity of the as-prepared magnetic adsorbent. The adsorbent shows highly efficient adsorption performance for all of the adsorbates especially for the cationic dyes and drug. For example, the saturated adsorption capacity of the Fe(3)O(4)/SiO(2)/HPG-COOH for methyl violet (MV) can reach 0.60 mmol/g, which is much higher than the previous magnetic adsorbents (usually lower than 0.30 mmol/g). 95% of MV and 90% of R6G could be adsorbed within 5 min, and both of the adsorptions reached equilibrium in about 15 min. The adsorption kinetics and isotherm of the adsorbents were investigated in detail and found that the kinetic and equilibrium adsorptions are well-modeled using pseudo-second-order kinetics and Langmuir isotherm model, respectively. In addition, the influences of pH and ionic strength on the adsorption capacity were also examined and found that pH has much greater effect on the adsorption capacity compared with the ionic strength. Regeneration experiments showed that the Fe(3)O(4)/SiO(2)/HPG-COOH can be well-regenerated in ethanol and partially regenerated in 1 M HCl aqueous solution. After regeneration, the magnetic adsorbents can still show high adsorption capacity even for 10 cycles of desorption-adsorption. No

Effect of degree of deacetylation of chitosan on adsorption capacity and reusability of chitosan/polyvinyl alcohol/TiO2 nano composite.

PubMed

Habiba, Umma; Joo, Tan Chin; Siddique, Tawsif A; Salleh, Areisman; Ang, Bee Chin; Afifi, Amalina M

2017-11-01

The chitosan/polyvinyl alcohol/TiO 2 composite was synthesized. Two different degrees of deacetylation of chitosan were prepared by hydrolysis to compare the effectiveness of them. The composite was analyzed via field emission scanning electron microscopy, Fourier transform infrared, X-ray diffraction, thermal gravimetric analysis, weight loss test and adsorption study. The FTIR and XRD results proved the interaction among chitosan, PVA and TiO 2 without any chemical reaction. It was found that, chitosan with higher degree of deacetylation has better stability. Furthermore, it also showed that higher DD of chitosan required less time to reach equilibrium for methyl orange. The adsorption followed the pseudo-second-order kinetic model. The Langmuir and Freundlich isotherm models were fitted well for isotherm study. Adsorption capacity was higher for the composite containing chitosan with higher DD. The dye removal rate was independent of the dye's initial concentration. The adsorption capacity was increased with temperature and it was found from reusability test that the composite containing chitosan with higher DD is more reusable. It was notable that adsorption capacity was even after 15 runs. Therefore, chitosan/PVA/TiO 2 composite can be a very useful material for dye removal. Copyright © 2017 Elsevier B.V. All rights reserved.

Polanyi Evaluation of Adsorptive Capacities of Commercial Activated Carbons

NASA Technical Reports Server (NTRS)

Monje, Oscar; Surma, Jan M.

2017-01-01

Commercial activated carbons from Calgon (207C and OVC) and Cabot Norit (RB2 and GCA 48) were evaluated for use in spacecraft trace contaminant control filters. The Polanyi potential plots of the activated carbons were compared using to those of Barnebey-Cheney Type BD, an untreated activated carbon with similar properties as the acid-treated Barnebey-Sutcliffe Type 3032 utilized in the TCCS. Their adsorptive capacities under dry conditions were measured in a closed loop system and the sorbents were ranked for their ability to remove common VOCs found in spacecraft cabin air. This comparison suggests that these sorbents can be ranked as GCA 48 207C, OVC RB2 for the compounds evaluated.

Studies on adsorption capacity of clay-Sargassum sp biosorbent for Cr (VI) removal in wastewater from electroplating industry

NASA Astrophysics Data System (ADS)

Aprianti, Tine; Aprilyanti, Selvia; Apriani, Rachmawati; Sisnayati

2017-11-01

Various raw biosorbents have been studied for pollutant treatment of heavy metals contained in wastewater. In this study, clay and brown seaweed, Sargassum sp, are used for hexavalent chromium [Cr (VI)] biosorption. The adsorption capacity is adequately improved by combining clay and Sargassum sp as the adsorbent agent. Ion exchange of metal ions has shown strong coordination cross-linkage due to organic functional hydroxyl groups (OH-) contained in brown seaweed that provide sites to capture and bind the metal ions. Clay is known as an inexpensive adsorbent due to its wide availability besides its large specific surface area. Combining clay and Sargassum sp as biosorbent resulting better adsorption, the adsorption capacity reaches most favorable results of 99.39% at Sargassum: clay ratio of 40:60 on contact time 10 h. This study has proven that composit biosorbent used has succeeded in reducing hexavalent chromium pollutant in wastewater.

Summary of Adsorption Capacity and Adsorption Kinetics of Uranium and Other Elements on Amidoxime-based Adsorbents from Time Series Marine Testing at the Pacific Northwest National Laboratory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gill, Gary A.; Kuo, Li-Jung; Strivens, Jonathan E.

The Pacific Northwest National Laboratory (PNNL) has been conducting marine testing of uranium adsorbent materials for the Fuel Resources Program, Department of Energy, Office of Nuclear Energy (DOE-NE) beginning in FY 2012. The marine testing program is being conducted at PNNL’s Marine Sciences Laboratory (MSL), located at Sequim Bay, along the coast of Washington. One of the main efforts of the marine testing program is the determination of adsorption capacity and adsorption kinetics for uranium and selected other elements (e.g. vanadium, iron, copper, nickel, and zinc) for adsorbent materials provided primarily by Oak Ridge National Laboratory (ORNL), but also includesmore » other Fuel Resources Program participants. This report summarizes the major marine testing results that have been obtained to date using time series sampling for 42 to 56 days using either flow-through column or recirculating flume exposures. The major results are highlighted in this report, and the full data sets are appended as a series of Excel spreadsheet files. Over the four year period (2012-2016) that marine testing of amidoxime-based polymeric adsorbents was conducted at PNNL’s Marine Science Laboratory, there has been a steady progression of improvement in the 56-day adsorbent capacity from 3.30 g U/kg adsorbent for the ORNL 38H adsorbent to the current best performing adsorbent prepared by a collaboration between the University of Tennessee and ORNL to produce the adsorbent SB12-8, which has an adsorption capacity of 6.56 g U/kg adsorbent. This nearly doubling of the adsorption capacity in four years is a significant advancement in amidoxime-based adsorbent technology and a significant achievement for the Uranium from Seawater program. The achievements are evident when compared to the several decades of work conducted by the Japanese scientists beginning in the 1980’s (Kim et al., 2013). The best adsorbent capacity reported by the Japanese scientists was 3.2 g U

Kinetics and Thermodynamics of Reserpine Adsorption onto Strong Acidic Cationic Exchange Fiber

PubMed Central

Guo, Zhanjing; Liu, Xiongmin; Huang, Hongmiao

2015-01-01

The kinetics and thermodynamics of the adsorption process of reserpine adsorbed onto the strong acidic cationic exchange fiber (SACEF) were studied by batch adsorption experiments. The adsorption capacity strongly depended on pH values, and the optimum reserpine adsorption onto the SACEF occurred at pH = 5 of reserpine solution. With the increase of temperature and initial concentration, the adsorption capacity increased. The equilibrium was attained within 20 mins. The adsorption process could be better described by the pseudo-second-order model and the Freundlich isotherm model. The calculated activation energy Ea was 4.35 kJ/mol. And the thermodynamic parameters were: 4.97<ΔH<7.44 kJ/mol, -15.29<ΔG<-11.87 kJ/mol and 41.97<ΔS<47.35 J/mol·K. The thermodynamic parameters demonstrated that the adsorption was an endothermic, spontaneous and feasible process of physisorption within the temperature range between 283 K and 323 K and the initial concentration range between 100 mg/L and 300 mg/L. All the results showed that the SACEF had a good adsorption performance for the adsorption of reserpine from alcoholic solution. PMID:26422265

First-principles calculation of adsorption of shale gas on CaCO3 (100) surfaces.

PubMed

Luo, Qiang; Pan, Yikun; Guo, Ping; Wang, Zhouhua; Wei, Na; Sun, Pengfei; Liu, Yuxiao

2017-06-16

To demonstrate the adsorption strength of shale gas to calcium carbonate in shale matrix, the adsorption of shale gas on CaCO3 (100) surfaces was studied using the first-principles method, which is based on the density functional theory (DFT). The structures and electronic properties of CH4, C2H6, CO2 and N2 molecules were calculated by the generalized gradient approximation (GGA), for a coverage of 1 monolayer (ML). Under the same conditions, the density of states (DOS) of CaCO3 (100) surfaces before and after the adsorption of shale gas molecules at high-symmetry adsorption sites were compared. The results showed that the adsorption energies of CH4, C2H6, CO2 and N2 on CaCO3 (100) surfaces were between 0.2683 eV and -0.7388 eV. When a CH4 molecule was adsorbed at a hollow site and its 2 hydrogen atoms were parallel to the long diagonal (H3) on the CaCO3 (100) surface, it had the most stable adsorption, and the adsorption energy was only -0.4160 eV. The change of adsorption energy of CH4 was no more than 0.0535 eV. Compared with the DOS distribution of CH4 before adsorption, it shifted to the left overall after adsorption. At the same time, the partial density of states (PDOS) curves of CaCO3 (100) surfaces before and after adsorption basically overlapped. This work showed that the adsorption effect of shale gas on calcium carbonate is very weak, and the adsorption is physisorption at the molecular level.

Sulfur mustard gas adsorption on ZnO fullerene-like nanocage: Quantum chemical calculations

NASA Astrophysics Data System (ADS)

Kazemi, Mohammad; Rad, Ali Shokuhi

2017-06-01

In the present study, we used density functional theory calculations (at B3LYP and ωB97XD Levels) to search on the adsorption of Sulfur mustard gas (defined as mustard gas) on the surface of fullerene-like ZnO nanocage as a semiconductor. We found three different configurations of adsorbed gas on the surface of this nanostructure semiconductor. The values of adsorption energy of mustard gas are calculated in the range of -144∼ -200 kJ/mol with enthalpies in the range of -132∼-195 kJ/mol and Gibbs free energies in the range of -88∼-144 kJ/mol (T = 298 K, based on ωB97XD level), which indicate exothermic and spontaneous chemisorption. For all geometries, we calculated geometry parameters by taking into account the charge analysis and frontier molecular orbital study. The result of this study can be a support for next studies to develop new nanomaterials as adsorbent/sensor for mustard gas.

Adsorption laboratory experiment for undergraduate chemical engineering: Introducing kinetic, equilibrium and thermodynamic concepts

NASA Astrophysics Data System (ADS)

Muryanto, S.; Djatmiko Hadi, S.

2016-11-01

Adsorption laboratory experiment for undergraduate chemical engineering program is discussed. The experiment demonstrated adsorption of copper ions commonly found in wastewater using bio-sorbent, i.e. agricultural wastes. The adsorption was performed in a batch mode under various parameters: adsorption time (up to 120 min), initial pH (2 to 6), adsorbent dose (2.0 to 12.0 g L-1), adsorbent size (50 to 170 mesh), initial Cu2+ concentration (25 to 100 ppm) and temperatures (room temp to 40°C). The equilibrium and kinetic data of the experiments were calculated using the two commonly used isotherms: Langmuir and Lagergren pseudo-first-order kinetics. The maximum adsorption capacity for Cu2+ was found as 94.34 mg g-1. Thermodynamically, the adsorption process was spontaneous and endothermic. The calculated activation energy for the adsorption was observed as high as 127.94 kJ mol-1. Pedagogically, the experiment was assumed to be important in increasing student understanding of kinetic, equilibrium and thermodynamic concepts.

[Blood plasma protein adsorption capacity of perfluorocarbon emulsion stabilized by proxanol 268 (in vitro and in vivo studies)].

PubMed

Sklifas, A N; Zhalimov, V K; Temnov, A A; Kukushkin, N I

2012-01-01

The adsorption abilities of the perfluorocarbon emulsion stabilized by Proxanol 268 were investigated in vitro and in vivo. In vitro, the saturation point for the blood plasma proteins was nearly reached after five minutes of incubation of the emulsion with human/rabbit blood plasma and was stable for all incubation periods studied. The decrease in volume ratio (emulsion/plasma) was accompanied by the increase in the adsorptive capacity of the emulsion with maximal values at 1/10 (3.2 and 1.5 mg of proteins per 1 ml of the emulsion, for human and rabbit blood plasma, respectively) that was unchanged at lower ratios. In vivo, in rabbits, intravenously injected with the emulsion, the proteins with molecular masses of 12, 25, 32, 44, 55, 70, and 200 kDa were adsorbed by the emulsion (as in vitro) if it was used 6 hours or less before testing. More delayed testing (6 h) revealed elimination of proteins with molecular masses of 25 and 44 kDa and an additional pool of adsorpted new ones of 27, 50, and 150 kDa. Specific adsorptive capacity of the emulsion enhanced gradually after emulsion injection and reached its maximum (3.5-5 mg of proteins per 1 ml of the emulsion) after 24 hours.

Cs/NF3 adsorption on [001]-oriented GaN nanowire surface: A first principle calculation

NASA Astrophysics Data System (ADS)

Diao, Yu; Liu, Lei; Xia, Sihao; Kong, Yike

2017-11-01

In this study, the adsorption mechanism of Cs/NF3 on the [001]-oriented GaN nanowire surface is investigated by using the density function theory based on first-principles. In the Cs/NF3 co-activation process, the system is inclined to form NF3-in structure. Through the calculation results of adsorption energy, NF3 molecule adsorption tends to take an orientation with F atoms on top and the most favorable adsorption site is BGa-N. The NF3 activation process can further cut down the work function of the Cs-covered nanowire surface only when Cs coverage is 0.75 ML and 1 ML, which can be explained by the double dipole moment theory. With increasing Cs coverage, the valence band and conduction band both shift to lower energy side, contributing to the appearance of a downward band bending region and promoting the escape of surface photoelectrons. After NF3 molecule adsorption, the peak of total density of states near Fermi level increase due to the orbital hybridization between NF3-2s, Cs-5s states and N-2p states, which strengthen the conductivity of the nanowire surface and leads to the metallic properties. All these calculations may direct the Cs/NF3 activation process of GaN nanowire optoelectronic devices.

Antifungal activities against toxigenic Fusarium specie and deoxynivalenol adsorption capacity of ion-exchanged zeolites.

PubMed

Savi, Geovana D; Cardoso, William A; Furtado, Bianca G; Bortolotto, Tiago; Zanoni, Elton T; Scussel, Rahisa; Rezende, Lucas F; Machado-de-Ávila, Ricardo A; Montedo, Oscar R K; Angioletto, Elidio

2018-03-04

Zeolites are often used as adsorbents materials and their loaded cations can be exchanged with metal ions in order to add antimicrobial properties. The aim of this study was to use the 4A zeolite and its derived ion-exchanged forms with Zn 2+ , Li + , Cu 2+ and Co 2+ in order to evaluate their antifungal properties against Fusarium graminearum, including their capacity in terms of metal ions release, conidia germination and the deoxynivalenol (DON) adsorption. The zeolites ion-exchanged with Li + , Cu 2+ , and Co 2+ showed an excellent antifungal activity against F. graminearum, using an agar diffusion method, with a zone of inhibition observed around the samples of 45.3 ± 0.6 mm, 25.7 ± 1.5 mm, and 24.7 ± 0.6 mm, respectively. Similar results using agar dilution method were found showing significant growth inhibition of F. graminearum for ion-exchanged zeolites with Zn 2+ , Li + , Cu 2+ , and Co 2+ . The fungi growth inhibition decreased as zeolite-Cu 2+ >zeolite-Li + >zeolite-Co 2+ >zeolite-Zn 2+ . In addition, the conidia germination was strongly affected by ion-exchanged zeolites. With regard to adsorption capacity, results indicate that only zeolite-Li + were capable of DON adsorption significantly (P < 0.001) with 37% at 2 mg mL -1 concentration. The antifungal effects of the ion-exchanged zeolites can be ascribed to the interactions of the metal ions released from the zeolite structure, especially for zeolite-Li + , which showed to be a promising agent against F. graminearum and its toxin.

Kafirin adsorption on ion-exchange resins: isotherm and kinetic studies.

PubMed

Kumar, Prashant; Lau, Pei Wen; Kale, Sandeep; Johnson, Stuart; Pareek, Vishnu; Utikar, Ranjeet; Lali, Arvind

2014-08-22

Kafirin is a natural, hydrophobic and celiac safe prolamin protein obtained from sorghum seeds. Today kafirin is found to be useful in designing delayed delivery systems and coatings of pharmaceuticals and nutraceuticals where its purity is important and this can be obtained by adsorptive chromatography. This study is the first scientific insight into the isotherm and kinetic studies of kafirin adsorption on anion- and cation-exchange resins for practical applications in preparative scale chromatography. Adsorption isotherms of kafirin were determined for five anion- and two cation-exchange resins in batch systems. Isotherm parameters such as maximum binding capacity and dissociation constant were determined from Langmuir isotherm, and adsorptive capacity and affinity constant from Freundlich isotherm. Langmuir isotherm was found to fit the adsorption equilibrium data well. Batch uptake kinetics for kafirin adsorption on these resins was also carried out and critical parameters including the diffusion coefficient, film mass transfer coefficient, and Biot number for film-pore diffusion model were calculated. Both the isotherm and the kinetic parameters were considered for selection of appropriate resin for kafirin purification. UNOsphere Q (78.26 mg/ml) and Toyopearl SP-650M (57.4 mg/ml) were found to offer better kafirin binding capacities and interaction strength with excellent uptake kinetics under moderate operating conditions. With these adsorbents, film diffusion resistance was found to be major governing factor for adsorption (Bi<10 and δ<1). Based on designer objective function, UNOsphere Q was found be best adsorbent for binding of kafirin. The data presented is valuable for designing large scale preparative adsorptive chromatographic kafirin purification systems. Copyright © 2014 Elsevier B.V. All rights reserved.

Predicting CH4 adsorption capacity of microporous carbon using N2 isotherm and a new analytical model

USGS Publications Warehouse

Sun, Jielun; Chen, S.; Rostam-Abadi, M.; Rood, M.J.

1998-01-01

A new analytical pore size distribution (PSD) model was developed to predict CH4 adsorption (storage) capacity of microporous adsorbent carbon. The model is based on a 3-D adsorption isotherm equation, derived from statistical mechanical principles. Least squares error minimization is used to solve the PSD without any pre-assumed distribution function. In comparison with several well-accepted analytical methods from the literature, this 3-D model offers relatively realistic PSD description for select reference materials, including activated carbon fibers. N2 and CH4 adsorption data were correlated using the 3-D model for commercial carbons BPL and AX-21. Predicted CH4 adsorption isotherms, based on N2 adsorption at 77 K, were in reasonable agreement with the experimental CH4 isotherms. Modeling results indicate that not all the pores contribute the same percentage Vm/Vs for CH4 storage due to different adsorbed CH4 densities. Pores near 8-9 A?? shows higher Vm/Vs on the equivalent volume basis than does larger pores.

Determination of Adsorption Capacity and Kinetics of Amidoxime-Based Uranium Adsorbent Braided Material in Unfiltered Seawater Using a Flume Exposure System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gill, Gary A.; Kuo, Li-Jung; Strivens, Jonathan E.

PNNL has developed a recirculating flume system for exposing braided adsorbent material to natural seawater under realistic temperature and flow-rate exposure conditions. The flumes are constructed of transparent acrylic material; they allow external light to pass into the flumes and permit photosynthetic growth of naturally present marine organisms (biofouling). Because the system consists of two flumes, replicate experiments can be conducted in which one of the flumes can be manipulated relative to the other. For example, one flume can be darkened to eliminate light exposure by placing a black tarp over the flume such that dark/light experiments can be conducted.more » Alternatively, two different braided adsorbents can be exposed simultaneously with no potential cross contamination issues. This report describes the first use of the PNNL flume system to study the impact of biofouling on adsorbent capacity. Experiments were conducted with the ORNL AI8 braided adsorbent material in light-exposed and darkened flumes for a 42-day exposure experiment. The major objective of this effort is to develop a system for the exposure of braided adsorbent material to unfiltered seawater, and to demonstrate the system by evaluating the performance of adsorption material when it is exposed to natural marine biofouling as it would be when the technology is used in the marine environment. Exposures of amidoxime-based polymeric braid adsorbents prepared by Oak Ridge Natural Laboratory (ORNL) were exposed to ambient seawater at 20°C in a flume system. Adsorption kinetics and adsorption capacity were assessed using time series determinations of uranium adsorption and one-site ligand saturation modeling. Biofouling in sunlight surface seawater has the potential to significantly add substantial biogenic mass to adsorption material when it is exposed for periods greater than 21 days. The observed biomass increase in the light flume was approximately 80% of the adsorbent mass after 42

Comparison between the loading capacities of columns packed with partially and totally porous fine particles. What is the effective surface area available for adsorption?

PubMed

Gritti, Fabrice; Guiochon, Georges

2007-12-28

The adsorption isotherms of phenol, caffeine, insulin, and lysozyme were measured on two C(18)-bonded silica columns. The first one was packed with classical totally porous particles (3 microm Luna(2)-C(18)from Phenomenex, Torrance, CA, USA), the second one with shell particles (2.7 microm Halo-C(18) from Advanced Materials Technology, Wilmington, DE, USA). The measurements were made at room temperature (T=295+/-1K), using mainly frontal analysis (FA) and also elution by characteristic points (FACP) when necessary. The adsorption energy distributions (AEDs) were estimated by the iterative numerical expectation-maximization (EM) procedure and served to justify the choice of the best adsorption isotherm model for each compound. The best isotherm parameters were derived from either the best fit of the experimental data to a multi-Langmuir isotherm model (MLRA) or from the AED results (equilibrium constants and saturation capacities), when the convergence of the EM program was achieved. The experiments show than the loading capacity of the Luna column is more than twice that of the Halo column for low-molecular-weight compounds. This result was expected; it is in good agreement with the values of the accessible surface area of these two materials, which were calculated from the pore size volume distributions. The pore size volume distributions are validated by the excellent agreement between the calculated and measured exclusion volumes of polystyrene standards by inverse size exclusion chromatography (ISEC). In contrast, the loading capacity ratio of the two columns is 1.5 or less with insulin and lysozyme. This is due to a significant exclusion of these two proteins from the internal pore volumes of the two packing materials. This result raises the problem of the determination of the effective surface area of the packing material, particularly in the case of proteins. This area is about 40 and 30% of the total surface area for insulin and for lysozyme, respectively

Functionalized mesoporous silica materials for molsidomine adsorption: Thermodynamic study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alyoshina, Nonna A.; Parfenyuk, Elena V., E-mail: evp@iscras.ru

2013-09-15

A series of unmodified and organically modified mesoporous silica materials was prepared. The unmodified mesoporous silica was synthesized via sol–gel synthesis in the presence of D-glucose as pore-forming agent. The functionalized by phenyl, aminopropyl and mercaptopropyl groups silica materials were prepared via grafting. The fabricated adsorbent materials were characterized by Fourier transform infrared spectroscopy (FTIR) analysis, N{sub 2} adsorption/desorption and elemental analysis methods. Then their adsorption properties for mesoionic dug molsidomine were investigated at 290–313 K and physiological pH value. Thermodynamic parameters of molsidomine adsorption on the synthesized materials have been calculated. The obtained results showed that the adsorption processmore » of molsidomine on the phenyl modified silica is the most quantitatively and energetically favorable. The unmodified and mercaptopropyl modified silica materials exhibit significantly higher adsorption capacities and energies for molsidomine than the aminopropyl modified sample. The effects are discussed from the viewpoint of nature of specific interactions responsible for the adsorption. - Graphical abstract: Comparative analysis of the thermodynamic characteristics of molsidomine adsorption showed that the adsorption process on mesoporous silica materials is controlled by chemical nature of surface functional groups. Molsidomine adsorption on the phenyl modified silica is the most quantitatively and energetically favorable. Taking into account ambiguous nature of mesoionic compounds, it was found that molsidomine is rather aromatic than dipolar. Display Omitted - Highlights: • Unmodified and organically modified mesoporous silica materials were prepared. • Molsidomine adsorption on the silica materials was studied. • Phenyl modified silica shows the highest adsorption capacity and favorable energy. • Molsidomine exhibits the lowest affinity to aminopropyl modified silica.« less

Ionic Adsorption and Desorption of CNT Nanoropes

PubMed Central

Shang, Jun-Jun; Yang, Qing-Sheng; Yan, Xiao-Hui; He, Xiao-Qiao; Liew, Kim-Meow

2016-01-01

A nanorope is comprised of several carbon nanotubes (CNTs) with different chiralities. A molecular dynamic model is built to investigate the ionic adsorption and desorption of the CNT nanoropes. The charge distribution on the nanorope is obtained by using a modified gradient method based on classical electrostatic theory. The electrostatic interactions among charged carbon atoms are calculated by using the Coulomb law. It was found here that the charged nanorope can adsorb heavy metal ions, and the adsorption and desorption can be realized by controlling the strength of applied electric field. The distance between the ions and the nanorope as well as the amount of ions have an effect on the adsorption capacity of the nanorope. The desorption process takes less time than that of adsorption. The study indicates that the CNT nanorope can be used as a core element of devices for sewage treatment. PMID:28335306

Ionic Adsorption and Desorption of CNT Nanoropes.

PubMed

Shang, Jun-Jun; Yang, Qing-Sheng; Yan, Xiao-Hui; He, Xiao-Qiao; Liew, Kim-Meow

2016-09-28

A nanorope is comprised of several carbon nanotubes (CNTs) with different chiralities. A molecular dynamic model is built to investigate the ionic adsorption and desorption of the CNT nanoropes. The charge distribution on the nanorope is obtained by using a modified gradient method based on classical electrostatic theory. The electrostatic interactions among charged carbon atoms are calculated by using the Coulomb law. It was found here that the charged nanorope can adsorb heavy metal ions, and the adsorption and desorption can be realized by controlling the strength of applied electric field. The distance between the ions and the nanorope as well as the amount of ions have an effect on the adsorption capacity of the nanorope. The desorption process takes less time than that of adsorption. The study indicates that the CNT nanorope can be used as a core element of devices for sewage treatment.

Metal-organic frameworks with high capacity and selectivity for harmful gases

PubMed Central

Britt, David; Tranchemontagne, David; Yaghi, Omar M.

2008-01-01

Benchmarks have been established for the performance of six metal-organic frameworks (MOFs) and isoreticular MOFs (IRMOFs, which have the same underlying topology as MOF-5), MOF-5, IRMOF-3, MOF-74, MOF-177, MOF-199, and IRMOF-62, as selective adsorbents for eight harmful gases: sulfur dioxide, ammonia, chlorine, tetrahydrothiophene, benzene, dichloromethane, ethylene oxide, and carbon monoxide. Kinetic breakthrough measurements are used to determine the calculated dynamic adsorption capacity of each “benchmark” MOF for each gas. The capacity of each MOF is compared to that of a sample of Calgon BPL activated carbon. We find that pore functionality plays a dominant role in determining the dynamic adsorption performance of MOFs. MOFs featuring reactive functionality outperform BPL carbon in all but one case and exhibit high dynamic adsorption capacities up to 35% by weight. PMID:18711128

Adsorption behaviour of methylene blue onto Jordanian diatomite: a kinetic study.

PubMed

Al-Ghouti, Mohammad A; Khraisheh, Majeda A M; Ahmad, Mohammad N M; Allen, Stephen

2009-06-15

The effect of initial concentration, particle size, mass of the adsorbent, pH and agitation speed on adsorption behaviour of methylene blue (MB) onto Jordanian diatomite has been investigated. The maximum adsorption capacity, q, increased from 75 to 105 mg/g when pH of the dye solution increased from 4 to 11. It is clear that the ionisable charge sites on the diatomite surface increased when pH increased from 4 to 11. When the solution pH was above the pH(ZPC), the diatomite surface had a negative charge, while at low pH (pH<5.4) it has a positive charge. The adsorption capacity increased from 88.6 to 143.3mg/g as the initial MB concentrations increased from 89.6 to 225.2mg/dm(3). The experimental results were also applied to the pseudo-first and -second order kinetic models. It is noticed that the whole experimental data of MB adsorption onto diatomite did not follow the pseudo-first order model and had low correlation coefficients (R(2)<0.3). The calculated adsorption capacity, q(e,cal), values obtained from pseudo-first order kinetic model did not give acceptable values, q(e,exp.) The maximum uptake capacity seems to be independent of the particle size of the diatomite when the particle size distribution is less than 250-500 microm. While at larger particle size 250-500 microm, the maximum uptake capacity was dependent on the particle size. It would imply that the MB adsorption is limited by the external surface and that intraparticle diffusion is reduced. The effect of the agitation speeds on the removal of MB from aqueous solution using the diatomite is quite low. The MB removal increased from 43 to 100% when mass of the diatomite increased from 0.3 to 1.7 g.

Covalently bonded ionic liquid onto cellulose for fast adsorption and efficient separation of Cr(VI): Batch, column and mechanism investigation.

PubMed

Dong, Zhen; Zhao, Long

2018-06-01

Combining the advantages of both cellulose and ionic liquid, ionic liquid functionalized cellulose (ILFC) as adsorbent was prepared through radiation grafting glycidyl methacrylate onto cellulose microsphere following by reaction with ionic liquid 1-aminopropyl-3-methyl imidazolium nitrate. Its adsorption properties towards Cr(VI) were investigated in batch and column experiments. In batch experiments, the adsorption kinetics was well fitted with pseudo-second-order mode with equilibrium time of 2 h and the adsorption capacity reached 181.8 mg/g at pH 2 calculated from Langmuir model. In fixed column, both Yoon-Nelson and Thomas models gave satisfactory fit to experimental data and breakthrough curves, and equilibrium adsorption capacity calculated by Thomas model was 161.0 mg/g. Moreover, ILFC exhibited high selectivity towards Cr(VI) even in synthetic chrome-plating wastewater. Besides, adsorption/desorption test revealed ILFC can be regenerated and reused several times without obvious decrease in adsorbed amount. The adsorption process was demonstrated to anion exchange-reduction mechanism via XPS analysis. Copyright © 2018 Elsevier Ltd. All rights reserved.

Density functional theory calculations of biomolecules adsorption on phosphorene for biomedical applications

NASA Astrophysics Data System (ADS)

Rubio-Pereda, Pamela; H. Cocoletzi, Gregorio

2018-01-01

Recent experimental studies have found that phosphorene, the two-dimensional counterpart of black phosphorus, is more biological-friendly, in comparison with graphene, for the design of bio-integrated electronics based devices for biomedical applications. Following this research line, we theoretically investigate by first principle calculations, accounting for van der Waals effects, the interactions between phosphorene and typical amino acids (nonpolar, aromatic, positively charged and negatively charged). Testing different possible molecular orientations adsorption calculations have been done. Structural analysis, Löwdin electron population analysis and the study of the hydrophobic effect upon adsorption orientation were carried out in order to reveal the nature of the composite system interactions. Results show that amino acid molecules physisorb, mediated by an electron transfer process, on the phosphorene surface with a minimum disruption of their structure. Furthermore, the hydrophilic nature of phosphorene dictates the more energetically preferred adsorbed amino acid orientation. Ultimately, the nature of these interactions manifests the biological-friendly characteristic of phosphorene and its potential to be used as part of bioinorganic interfaces.

Amine-tethered solid adsorbents coupling high adsorption capacity and regenerability for CO2 capture from ambient air.

PubMed

Choi, Sunho; Gray, McMahan L; Jones, Christopher W

2011-05-23

Silica supported poly(ethyleneimine) (PEI) materials are prepared via impregnation and demonstrated to be promising adsorbents for CO(2) capture from ultra-dilute gas streams such as ambient air. A prototypical class 1 adsorbent, containing 45 wt% PEI (PEI/silica), and two new modified PEI-based aminosilica adsorbents, derived from PEI modified with 3-aminopropyltrimethoxysilane (A-PEI/silica) or tetraethyl orthotitanate (T-PEI/silica), are prepared and characterized by using thermogravimetric analysis and FTIR spectroscopy. The modifiers are shown to enhance the thermal stability of the polymer-oxide composites, leading to higher PEI decomposition temperatures. The modified adsorbents present extremely high CO(2) adsorption capacities under conditions simulating ambient air (400 ppm CO(2) in inert gas), exceeding 2 mol(CO (2)) kg(sorbent)(-1), as well as enhanced adsorption kinetics compared to conventional class 1 sorbents. The new adsorbents show excellent stability in cyclic adsorption-desorption operations, even under dry conditions in which aminosilica adsorbents are known to lose capacity due to urea formation. Thus, the adsorbents of this type can be considered promising materials for the direct capture of CO(2) from ultra-dilute gas streams such as ambient air. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Study of CO2 adsorption capacity of mesoporous carbon and activated carbon modified by triethylenetetramine (TETA)

NASA Astrophysics Data System (ADS)

Sulistianti, I.; Krisnandi, Y. K.; Moenandar, I.

2017-04-01

Mesoporous carbon was synthesized by soft template method using phloroglucinol and formaldehyde as a carbon source; and Pluronic F-127 as a mesoporous template. The synthesized mesoporous carbon and commercial activated carbon were modified with triethylenetetramine (TETA) to increase CO2 adsorption capacity. Based on FTIR characterization, the synthesized mesoporous carbon and the activated carbon without modification process has similarity pattern. After the modification, both of them showed absorption peaks in the area around 1580 to 1650 cm-1 which is known as N-H bending vibration and absorption peaks in the area around 3150 to 3380 cm-1 which is known as N-H stretching vibration. The XRD results showed two peaks at 2θ = 24.21° and 2θ = 43.85°, according to JCPDS index No. 75-1621 those peak are the typical peaks for hexagonal graphite carbon. In BET analysis, the synthesized mesoporous carbon and activated carbon modified TETA have surface area, pore volume and pore diameter lower than without modification process. In carbon dioxide adsorption testing, the synthesized mesoporous carbon showed better performance than the commercial activated carbon for CO2 adsorption both without modification and by modification. The synthesized mesoporous carbon obtained CO2 adsorption of 9.916 mmol/g and the activated carbon of 3.84 mmol/g for on 3.5 hours of adsorption. It is three times better than activated carbon for adsorption of carbon dioxide. The modified mesoporous carbon has the best performance for adsorption of gas CO2 if compared by unmodified.

Effect of Temperature to Adsorption Capacity and Coefficient Distribution on Rare Earth Elements Adsorption (Y, Gd, Dy) Using SIR

NASA Astrophysics Data System (ADS)

Aziz, N.; Mindaryani, A.; Supranto; Taftazani, A.; Biyantoro, D.

2018-04-01

The use of REE like element of Yttrium (Y) as a superconducting material requires a purity of more than 90%, so it needs to increase the purity of Y from the settling process. The purpose of this research is to study the separation process of REE that is Y, Gd, Dy elements from REE hydroxide (REE(OH)3) using SIR method are consisting of Amberlite XAD-16 resin impregnated with Di-(2-ethylhexyl) phosphate ( D2EHPA) and Tributyl Phosphate (TBP) and determine the isotherm model on REE adsorption and determine the kinetic model of pseudo adsorption reaction. This research was started by activating XAD-16 resin and is mixed with TBP-D2EHPA solvents so it will form SIR, then it is conducted on variation of SIR composition, temperature variation of adsorption process, determination of equilibrium equation and kinetic sorption occurring in SIR adsorption based on experimental data of liquid concentration as function of time. Based on the calculation result, the most effective SIR composition for REE separation is 0.75 g, the equilibrium equation for Y, Gd and Dy follows the Henry equilibrium model and the pseudo kinetic model of the reaction order Y, Gd, and Dy is followed by the pseudo reaction of order 2 The result of separation of LTJ with SIR is said to be effective from another method because purity is obtained that is 96.73% and qualify as a super conductor material.

Adsorption of lead on multi-walled carbon nanotubes with different outer diameters and oxygen contents: kinetics, isotherms and thermodynamics.

PubMed

Yu, Fei; Wu, Yanqing; Ma, Jie; Zhang, Chi

2013-01-01

The effects of different outer diameters and surface oxygen contents on the adsorption of heavy metals onto six types of multi-walled carbon nanotubes (MWCNTs) were investigated in an aqueous solution and lead was chosen as a model metal ion. The results indicated that the percentage removal and adsorption capacity of lead remarkably increased with decreasing outer diameter due to larger specific surface area (SSA). The SSA-normalized maximum adsorption capacity (qmSSA) and SSA-normalized adsorption coefficient (Kd/SSA) were strongly positively correlated with surface oxygen content, implying that lead adsorption onto MWCNTs significantly increases with the rise of oxygen content and decreases with decreasing SSA. The calculated thermodynamic parameters indicated that adsorption of lead on MWCNTs was endothermic and spontaneous. When the oxygen content of MWCNTs increased from 2.0% to 5.9%, the standard free energy (deltaG0) became more negative, which implied that the oxygenated functional groups increased the adsorption affinity of MWCNTs for lead. Through calculation of enthalpy (deltaH0), deltaG0 and free energy of adsorption (Ea), lead adsorption onto MWCNTs was recognized as a chemisorption process. The chemical interaction between lead and the phenolic groups of MWCNTs could be one of the main adsorption mechanisms due to highly positive correlations between the phenolic groups and Kd/SSA or qm/SSA.

Adsorption isotherm, kinetic and mechanism of expanded graphite for sulfadiazine antibiotics removal from aqueous solutions.

PubMed

Zhang, Ling; Wang, Yong; Jin, SuWan; Lu, QunZan; Ji, Jiang

2017-10-01

The adsorption of sulfadiazine from water by expanded graphite (EG), a low cost and environmental-friendly adsorbent, was investigated. Several adsorption parameters (including the initial sulfadiazine concentration, contact time, pH of solution, ionic strength and temperature) were studied. Results of equilibrium experiments indicated that adsorption of sulfadiazine onto EG were better described by the Langmuir and Tempkin models than by the Freundlich model. The maximum adsorption capacity is calculated to be 16.586 mg/g at 298 K. The kinetic data were analyzed by pseudo-first-order, pseudo-second-order and intraparticle models. The results indicated that the adsorption process followed pseudo-second-order kinetics and may be controlled by two steps. Moreover, the pH significantly influenced the adsorption process, with the relatively high adsorption capacity at pH 2-10. The electrostatic and hydrophobic interactions are manifested to be two main mechanisms for sulfadiazine adsorption of EG. Meanwhile, the ionic concentration of Cl - slightly impacted the removal of sulfadiazine. Results of thermodynamics analysis showed spontaneous and exothermic nature of sulfadiazine adsorption on EG. In addition, regeneration experiments imply that the saturated EG could be reused for sulfadiazine removal by immersing sodium hydroxide.

Adsorption and desorption for dynamics transport of hexavalent chromium Cr(Ⅵ) in soil column

NASA Astrophysics Data System (ADS)

Tong, J.

2017-12-01

Batch experiments have been carried out to study the adsorption of heavy metals in soils, and the migration and transformation of hexavalent chromium Cr(Ⅵ) in the soil of a vegetable base were studied by dynamic adsorption and desorption soil column experiments. The aim of this study was to investigate the effect of initial concentration and pH value on the adsorption process of Cr(Ⅵ). Breakthrough curve were used to evaluate the capacity of Cr(Ⅵ) adsorption in soil columns. The results show that the higher the initial concentration, the worse the adsorption capacity of Cr(Ⅵ). The adsorption of Cr(Ⅵ) was strongly sensitive to pH value. The capacity of Cr(Ⅵ) adsorption is maximized at very low pH value. This may be due to changes in pH that cause a series of complex reactions in Cr(Ⅵ). In a strongly acidic environment, the reaction of Cr(Ⅵ) with hydrogen ions is accompanied by the formation of Cr3+, which reacts with the soil free iron-aluminum oxide to produce hydroxide in the soil. The results of the desorption experiments indicate that Cr(Ⅵ) is more likely to leach from this soil, but if the eluent is strong acid solution, the leaching process will be slow and persistent. The program CXTFIT was used to fit the breakthrough curve to estimate parameters. The results of the calculation of the dispersion coefficient (D) can be obtained by this program. The two-site model fit the breakthrough curve data of Cr(Ⅵ) well, and the parameters calculated by CXTFIT can be used to explain the behavior of Cr(Ⅵ) migration and transformation in soil columns. When pH=2, the retardation factor (R) reach at 79.71 while the value of the R is generally around 10 in other experiments. The partitioning coefficient β shows that more than half of the adsorption sites are rate-limited in this adsorption process and non-equilibrium effects the Cr(Ⅵ) transport process in this soil.

Removal of carbonyl sulfide using activated carbon adsorption.

PubMed

Sattler, Melanie L; Rosenberk, Ranjith Samuel

2006-02-01

Wastewater treatment plant odors are caused by compounds such as hydrogen sulfide (H2S), methyl mercaptans, and carbonyl sulfide (COS). One of the most efficient odor control processes is activated carbon adsorption; however, very few studies have been conducted on COS adsorption. COS is not only an odor causing compound but is also listed in the Clean Air Act as a hazardous air pollutant. Objectives of this study were to determine the following: (1) the adsorption capacity of 3 different carbons for COS removal; (2) the impact of relative humidity (RH) on COS adsorption; (3) the extent of competitive adsorption of COS in the presence of H2S; and (4) whether ammonia injection would increase COS adsorption capacity. Vapor phase react (VPR; reactivated), BPL (bituminous coal-based), and Centaur (physically modified to enhance H2S adsorption) carbons manufactured by Calgon Carbon Corp. were tested in three laboratory-scale columns, 6 in. in depth and 1 in. in diameter. Inlet COS concentrations varied from 35 to 49 ppmv (86-120 mg/m3). RHs of 17%, 30%, 50%, and 90% were tested. For competitive adsorption studies, H2S was tested at 60 ppmv, with COS at 30 ppmv. COS, RH, H2S, and ammonia concentrations were measured using an International Sensor Technology Model IQ-350 solid state sensor, Cole-Parmer humidity stick, Interscan Corp. 1000 series portable analyzer, and Drager Accuro ammonia sensor, respectively. It was found that the adsorption capacity of Centaur carbon for COS was higher than the other two carbons, regardless of RH. As humidity increased, the percentage of decrease in adsorption capacity of Centaur carbon, however, was greater than the other two carbons. The carbon adsorption capacity for COS decreased in proportion to the percentage of H2S in the gas stream. More adsorption sites appear to be available to H2S, a smaller molecule. Ammonia, which has been found to increase H2S adsorption capacity, did not increase the capacity for COS.

Adsorption of Heavy Metals by Graphene Oxide/Cellulose Hydrogel Prepared from NaOH/Urea Aqueous Solution

PubMed Central

Chen, Xiong; Zhou, Sukun; Zhang, Liming; You, Tingting; Xu, Feng

2016-01-01

By taking advantage of cellulose, graphene oxide (GO), and the process for crosslinking using epichlorohydrin (ECH), we propose a simple and novel method to prepare GO/cellulose hydrogel with good potential to adsorb metal ions. GO nanosheets containing carboxyl and hydroxyl groups were introduced into the surface of the cellulose hydrogel with retention of the gel structure and its nanoporous property. Due to the introduction of GO, the GO/cellulose composite hydrogels exhibited good compressive strength. Adsorption capacity of Cu2+ significantly increases with an increase in the GO/cellulose ratio and GO/cellulose hydrogel showed high adsorption rates. The calculated adsorption capacities at equilibrium (qecal) for GO/cellulose hydrogel (GO:cellulose = 20:100 in weight) was up to 94.34 mg·g−1, which was much higher than that of the pristine cellulose hydrogels. Furthermore, GO/cellulose hydrogel exhibited high efficient regeneration and metal ion recovery, and high adsorption capacity for Zn2+, Fe3+, and Pb2+. PMID:28773705

Characterization of the cation-binding capacity of a potassium-adsorption filter used in red blood cell transfusion.

PubMed

Suzuki, Takao; Muto, Shigeaki; Miyata, Yukio; Maeda, Takao; Odate, Takayuki; Shimanaka, Kimio; Kusano, Eiji

2015-06-01

A K(+) -adsorption filter was developed to exchange K(+) in the supernatant of stored irradiated red blood cells with Na(+) . To date, however, the filter's adsorption capacity for K(+) has not been fully evaluated. Therefore, we characterized the cation-binding capacity of this filter. Artificial solutions containing various cations were continuously passed through the filter in 30 mL of sodium polystyrene sulfonate at 10 mL/min using an infusion pump at room temperature. The cation concentrations were measured before and during filtration. When a single solution containing K(+) , Li(+) , H(+) , Mg(2+) , Ca(2+) , or Al(3+) was continuously passed through the filter, the filter adsorbed K(+) and the other cations in exchange for Na(+) in direct proportion to the valence number. The order of affinity for cation adsorption to the filter was Ca(2+) >Mg(2+) >K(+) >H(+) >Li(+) . In K(+) -saturated conditions, the filter also adsorbed Na(+) . After complete adsorption of these cations on the filter, their concentration in the effluent increased in a sigmoidal manner over time. Cations that were bound to the filter were released if a second cation was passed through the filter, despite the different affinities of the two cations. The ability of the filter to bind cations, especially K(+) , should be helpful when it is used for red blood cell transfusion at the bedside. The filter may also be useful to gain a better understanding of the pharmacological properties of sodium polystyrene sulfonate. © 2015 The Authors. Therapeutic Apheresis and Dialysis © 2015 International Society for Apheresis.

Effects of sulfur impregnation temperature on the properties and mercury adsorption capacities of activated carbon fibers (ACFs)

USGS Publications Warehouse

Hsi, H.-C.; Rood, M.J.; Rostam-Abadi, M.; Chen, S.; Chang, R.

2001-01-01

Laboratory studies were conducted to determine the role of sulfur functional groups and micropore surface area of carbon-based adsorbents on the adsorption of Hg0 from simulated coal combustion flue gases. In this study, raw activated carbon fibers that are microporous (ACF-20) were impregnated with elemental sulfur between 250 and 650 ??C. The resulting samples were saturated with respect to sulfur content. Total sulfur content of the sulfur impregnated ACF samples decreased with increasing impregnation temperatures from 250 and 500 ??C and then remained constant to 650 ??C. Results from sulfur K-edge X-ray absorption near-edge structure (S-XANES) spectroscopy showed that sulfur impregnated on the ACF samples was in both elemental and organic forms. As sulfur impregnation temperature increased, however, the relative amounts of elemental sulfur decreased with a concomitant increase in the amount of organic sulfur. Thermal analyses and mass spectrometry revealed that sulfur functional groups formed at higher impregnation temperatures were more thermally stable. In general, sulfur impregnation decreased surface area and increased equilibrium Hg0 adsorption capacity when compared to the raw ACF sample. The ACF sample treated with sulfur at 400 ??C had a surface area of only 94 m2/g compared to the raw ACF sample's surface area of 1971 m2/g, but at least 86% of this sample's surface area existed as micropores and it had the largest equilibrium Hg0adsorption capacities (2211-11343 ??g/g). Such a result indicates that 400 ??C is potentially an optimal sulfur impregnation temperature for this ACF. Sulfur impregnated on the ACF that was treated at 400 ??C was in both elemental and organic forms. Thermal analyses and CS2extraction tests suggested that elemental sulfur was the main form of sulfur affecting the Hg0 adsorption capacity. These findings indicate that both the presence of elemental sulfur on the adsorbent and a microporous structure are important properties for

Adsorption behavior and mechanism of acidic blue 25 dye onto cucurbit[8]uril: A spectral and DFT study

NASA Astrophysics Data System (ADS)

Luo, Hanhan; Huang, Xiangyu; Luo, Yuhan; Li, Zhuang; Li, Lan; Gao, Chao; Xiong, Jinyan; Li, Wei

2018-03-01

The acidic blue 25 (AB25) dye was efficiently adsorbed by CB [8]; the saturated adsorption capacity (qexp) reached 434.8 mg/g and was far higher than those of previous reported adsorbents. The Langmuir and Freundich isotherms were used to fit the equilibrium data, and the results showed that the Freundlich isotherm seemed to agree better with the AB25 adsorption. The adsorption kinetics followed the pseudo-second-order model. Calculated thermodynamic parameters showed that the adsorption of AB25 onto CB [8] was a spontaneous and enthalpy-driven process. The adsorption mechanism was explored by N2 adsorption-desorption, TG, FT-IR, UV-vis as well as MD simulation and DFT calculations. TG analysis revealed that a new inclusion complex was produced, and FT-IR,UV-vis spectrum and DFT calculations verify its structure. In this inclusion complex, the AB25 dye molecule inserted into cavities of CB [8] from portal, and the sulfonate and phenyl groups stayed in the hydrophobic cavity. TDDFT calculations indicated that all excitation arisen from π → π* transition.

Construction of horizontal stratum landform-like composite foams and their methyl orange adsorption capacity

NASA Astrophysics Data System (ADS)

Chen, Jiajia; Shi, Xiaowen; Zhan, Yingfei; Qiu, Xiaodan; Du, Yumin; Deng, Hongbing

2017-03-01

Chitosan (CS)/rectorite (REC)/carbon nanotubes (CNTs) composite foams with good mechanical properties were successfully fabricated by unidirectional freeze-casting technique. The morphology of the foam showed the well-ordered porous three-dimensional layers and horizontal stratum landform-like structure. The holes on the layers looked like the wings of butterfly. Additionally, the X-ray photoelectron spectroscopy and energy-dispersive X-ray spectroscopy results indicated the successful addition of CNTs and REC. The intercalated REC with CS chains was confirmed by small-angle X-ray diffraction. The surface structure of the foams was also analyzed by Raman spectroscopy. The adsorption experiments showed that when the mass ratio of CS to REC was 10:1 and CNTs content was 20%, the composite foam performed best in adsorbing low concentration methyl orange, and the largest adsorption capacity was 41.65 mg/g.

Reservoir capacity estimates in shale plays based on experimental adsorption data

NASA Astrophysics Data System (ADS)

Ngo, Tan

from different measurement techniques using representative fluids (such as CH4 and CO2) at elevated pressures, and the adsorbed density can range anywhere between the liquid and the solid state of the adsorbate. Whether these discrepancies are associated with the inherent heterogeneity of mudrocks and/or with poor data quality requires more experiments under well-controlled conditions. Nevertheless, it has been found in this study that methane GIP estimates can vary between 10-45% and 10-30%, respectively, depending on whether the free or the total amount of gas is considered. Accordingly, CO2 storage estimates range between 30-90% and 15-50%, due to the larger adsorption capacity and gas density at similar pressure and temperature conditions. A manometric system has been designed and built that allows measuring the adsorption of supercritical fluids in microporous materials. Preliminary adsorption tests have been performed using a microporous 13X zeolite and CO 2 as an adsorbing gas at a temperature of 25oC and 35oC and at pressures up to 500 psi. Under these conditions, adsorption is quantified with a precision of +/- 3%. However, relative differences up to 15-20% have been observed with respect to data published in the literature on the same adsorbent and at similar experimental conditions. While it cannot be fully explained with uncertainty analysis, this discrepancy can be reduced by improving experiment practice, thus including the application of a higher adsorbent's regeneration temperature, of longer equilibrium times and of a careful flushing of the system between the various experimental steps. Based on the results on 13X zeolite, virtual tests have been conducted to predict the performance of the manometric system to measure adsorption on less adsorbing materials, such as mudrocks. The results show that uncertainties in the estimated adsorbed amount are much more significant in shale material and they increase with increasing pressure. In fact, relative

Molecular simulation of methane adsorption characteristics on coal macromolecule

NASA Astrophysics Data System (ADS)

Yang, Zhiyuan; He, Xiaoxiao; Meng, Zhuoyue; Xue, Wenying

2018-02-01

In this paper, the molecular model of anthracite named Wender2 was selected to study the adsorption behaviour of single component CH4 and the competitive adsorption of CH4/CO2, CH4/H2O and CH4/N2. The molecular model of anthracite was established by molecular simulation software (Materials Studio 8.0), and Grand Canonical Monte Carlo (GCMC) simulations were carried out to investigate the single and binary component adsorption. The effects of pressure and temperature on the adsorption position, adsorption energy and adsorption capacity were mainly discussed. The results show that for the single component adsorption, the adsorption capacity of CH4 increases rapidly with the pressure ascending, and then tends to be stable after the first step. The low temperature is favourable for the adsorption of CH4, and the high temperature promotes desorption quantity of CH4 from the coal. Adsorbent molecules are preferentially adsorbed on the edge of coal macromolecules. The order of adsorption capacity of CH4/CO2, CH4/H2O and CH4/N2 in the binary component is H2O>CO2>CH4>N2. The change of pressure has little effect on the adsorption capacity of the adsorbent in the competitive adsorption, but it has a great influence on the adsorption capacity of the adsorbent, and there is a positive correlation between them.

A first-principles study of hydrogen storage capacity based on Li-Na-decorated silicene.

PubMed

Sheng, Zhe; Wu, Shujing; Dai, Xianying; Zhao, Tianlong; Hao, Yue

2018-05-23

Surface decoration with alkali metal adatoms has been predicted to be promising for silicene to obtain high hydrogen storage capacity. Herein, we performed a detailed study of the hydrogen storage properties of Li and Na co-decorated silicene (Li-Na-decorated silicene) based on first-principles calculations using van der Waals correction. The hydrogen adsorption behaviors, including the adsorption order, the maximum capacity, and the corresponding mechanism were analyzed in detail. Our calculations show that up to three hydrogen molecules can firmly bind to each Li atom and six for each Na atom, respectively. The hydrogen storage capacity is estimated to be as high as 6.65 wt% with a desirable average adsorption energy of 0.29 eV/H2. It is confirmed that both the charge-induced electrostatic interaction and the orbital hybridizations play a great role in hydrogen storage. Our results may enhance our fundamental understanding of the hydrogen storage mechanism, which is of great importance for the practical application of Li-Na-decorated silicene in hydrogen storage.

Metal and proton adsorption capacities of natural and cloned Sphagnum mosses.

PubMed

Gonzalez, Aridane G; Pokrovsky, Oleg S; Beike, Anna K; Reski, Ralf; Di Palma, Anna; Adamo, Paola; Giordano, Simonetta; Angel Fernandez, J

2016-01-01

Terrestrial mosses are commonly used as bioindicators of atmospheric pollution. However, there is a lack of standardization of the biomonitoring preparation technique and the efficiency of metal adsorption by various moss species is poorly known. This is especially true for in vitro-cultivated moss clones, which are promising candidates for a standardized moss-bag technique. We studied the adsorption of copper and zinc on naturally grown Sphagnum peat moss in comparison with in vitro-cultivated Sphagnum palustre samples in order to provide their physico-chemical characterization and to test the possibility of using cloned peat mosses as bioindicators within the protocol of moss-bag technique. We demonstrate that in vitro-grown clones of S. palustre exhibit acid-base properties similar to those of naturally grown Sphagnum samples, whereas the zinc adsorption capacity of the clones is approx. twice higher than that of the samples from the field. At the same time, the field samples adsorbed 30-50% higher amount of Cu(2+) compared to that of the clones. This contrast may be related to fine differences in the bulk chemical composition, specific surface area, morphological features, type and abundance of binding sites at the cell surfaces and in the aqueous solution of natural and cloned Sphagnum. The clones exhibited much lower concentration of most metal pollutants in their tissues relative to the natural samples thus making the former better indicators of low metal loading. Overall, in vitro-produced clones of S. palustre can be considered as an adequate, environmentally benign substitution for protected natural Sphagnum sp. samples to be used in moss-bags for atmospheric monitoring. Copyright © 2015 Elsevier Inc. All rights reserved.

Adsorption of arsenic from aqueous solution using magnetic graphene oxide

NASA Astrophysics Data System (ADS)

Sherlala, A. I. A.; Raman, A. A.; Bello, M. M.

2017-06-01

A binary of graphene oxide (GO) and iron oxide (IO) was prepared and used for the removal of arsenic from aqueous solution. The synthesized compound was characterized using XRD analysis. The prepared composite was used for the adsorption of arsenic from aqueous solution. Central Composite Design was used to design the adsorption experiments and to investigate the effects of operational parameters (initial concentration of arsenic, adsorbent dosage, pH and time) on the adsorption capacity and efficiency. The adsorbent shows a high adsorption capacity for the arsenic. The adsorption efficiency ranges between 33.2 % and 99.95 %. The most significant factors affecting the adsorption capacity were found to be the initial concentration of arsenic and the adsorbent dosage. The initial pH of the solution slightly affects the adsorption capacity, with the maximum adsorption capacity occurring around pH 6 - 7. Thus, the developed adsorbent has a potential for effective removal of arsenic from aqueous solution.

A one-step thermal decomposition method to prepare anatase TiO2 nanosheets with improved adsorption capacities and enhanced photocatalytic activities

NASA Astrophysics Data System (ADS)

Li, Wenting; Shang, Chunli; Li, Xue

2015-12-01

Anatase TiO2 nanosheets (NSs) with high surface area have been prepared via a one-step thermal decomposition of titanium tetraisopropoxide (TTIP) in oleylamine (OM), and their adsorption capacities and photocatalytic activities are investigated by using methylene blue (MB) and methyl orange (MO) as model pollutants. During the synthesis procedure, only one type of surfactant, oleylamine (OM), is used as capping agents and no other solvents are added. Structure and properties of the TiO2 NSs were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), N2 adsorption analysis, UV-vis spectrum, X-ray photoelectron spectroscopy (XPS) and Photoluminescence (PL) methods. The results indicate that the TiO2 NSs possess high surface area up to 378 m2 g-1. The concentration of capping agents is found to be a key factor controlling the morphology and crystalline structure of the product. Adsorption and photodegradation experiments reveal that the prepared TiO2 NSs possess high adsorption capacities of model pollutants MB and high photocatalytic activity, showing that TiO2 NSs can be used as efficient pollutant adsorbents and photocatalytic degradation catalysts of MB in wastewater treatment.

Tunable gas adsorption in graphene oxide framework

NASA Astrophysics Data System (ADS)

Razmkhah, Mohammad; Moosavi, Fatemeh; Taghi Hamed Mosavian, Mohammad; Ahmadpour, Ali

2018-06-01

Effect of length of linker inter-space was studied on the adsorption capacity of CO2 by graphene oxide framework (GOF). Effect of linker inter-space of 14, 11, and 8 Å was studied here. The linker inter-space of 11 Å showed the highest CO2 adsorption capacity. A dual-site Langmuir model was observed for adsorption of CO2 and CH4 into the GOF. According to radial distribution function (RDF), facial and central atoms of linker are the dual-site predicted by Langmuir model. Two distinguishable sites of adsorption and parallel orientation of CO2 are the main reasons of high adsorption capacity in 11 Å linker inter-space. Gas-adsorbent affinity obtains the orientation of CO2 near the linker. The affinity in the 11 Å linker inter-space is the highest. Thus, it forces the CO2 to lay parallel and orient more localized than the other GOFs. In addition, CH4 resulted higher working capacity than CO2 in 14 Å. This occurs because of the change in gas-adsorbent affinity by changing pressure. An entrance adsorption occurs out of the pore of the GOF. This adsorption is not as stable as deep adsorption.

Ultra-high adsorption capacity of MgO/SiO2 composites with rough surfaces for Congo red removal from water.

PubMed

Hu, Mengqing; Yan, Xinlong; Hu, Xiaoyan; Zhang, Jiajin; Feng, Rui; Zhou, Min

2018-01-15

Due to its high isoelectric point, relative safety and low environmental toxicity, magnesium oxide has attracted much attention for its role in the removal of toxic dyes from wastewater. Herein, MgO-SiO 2 composites with rough surfaces were synthesized by a one-step method. The as-prepared composites were characterized for the adsorption of Congo red from water using adsorption kinetics and isotherms. The adsorption capacity of the 20% MgO-SiO 2 sample could be as high as ∼4000mg/g at 25°C, which is the highest value reported to date. The adsorption process of Congo red on the as-synthesized samples obeyed the Langmuir adsorption model. The MgO-SiO 2 composite sample could be regenerated by calcination, and the regeneration efficiency remained for up to 5 cycles of the regeneration. Copyright © 2017 Elsevier Inc. All rights reserved.

Characterizing the capacity of hyporheic sediments to attenuate groundwater nitrate loads by adsorption.

PubMed

Meghdadi, Aminreza

2018-05-02

Nitrate has been recognized as a global threat to environmental health. In this regard, the hyporheic zone (saturated media beneath and adjacent to the stream bed) plays a crucial role in attenuating groundwater nitrate, prior to discharge into surface water. While different nitrate removal pathways have been investigated over recent decades, the adsorption capacity of hyporheic sediments under natural conditions has not yet been identified. In this study, the natural attenuation capacity of the hyporheic-sediments of the Ghezel-Ozan River, located in the north-west of Iran, was determined. The sampled sediments (from 1 m below the stream bed) were characterized via XRD, FT-IR, BET, SEM, BJH, and Zeta potential. Nitrate adsorption was evaluated using a batch experiment with hyporheic pore-water from each study site. The study was performed in the hyporheic sediments of two morphologically different zones, including Z 1 located in the parafluvial zone having the clay sediment texture (57.8% clay) with smectite/Illite mixed layer clay type and Z 2 located in the river confluence area containing silty clay sediment texture (47.6% clay) with smectite/kaolinite mixed layer clay type. Data obtained from the batch experiment were subjected to pseudo-first order, pseudo-second order, intra-particle diffusion, and Elovich mass transfer kinetic models to characterize the nitrate adsorption mechanism. Furthermore, to replicate nitrate removal efficiencies of the hyporheic sediments under natural conditions, the sampled hyporheic pore-waters were applied as initial solutions to run the batch experiment. The results of the artificial nitrate solution correlated well with pseudo-second order (R 2 >95%; in both Z 1 and Z 2 ) and maximum removal efficiencies of 85.3% and 71.2% (adsorbent dosage 90 g/L, pH = 5.5, initial adsorbate concentration of 90 mg/L) were achieved in Z 1 and Z 2 , respectively. The results of the nitrate adsorption analysis revealed that the nitrate

Effects of Igneous Intrusion on Microporosity and Gas Adsorption Capacity of Coals in the Haizi Mine, China

PubMed Central

2014-01-01

This paper describes the effects of igneous intrusions on pore structure and adsorption capacity of the Permian coals in the Huaibei Coalfield, China. Twelve coal samples were obtained at different distances from a ~120 m extremely thick sill. Comparisons were made between unaltered and heat-affected coals using geochemical data, pore-fracture characteristics, and adsorption properties. Thermal alteration occurs down to ~1.3 × sill thickness. Approaching the sill, the vitrinite reflectance (R o) increased from 2.30% to 2.78%, forming devolatilization vacuoles and a fine mosaic texture. Volatile matter (VM) decreased from 17.6% to 10.0% and the moisture decreased from 3.0% to 1.6%. With decreasing distance to the sill, the micropore volumes initially increased from 0.0054 cm3/g to a maximum of 0.0146 cm3/g and then decreased to 0.0079 cm3/g. The results show that the thermal evolution of the sill obviously changed the coal geochemistry and increased the micropore volume and adsorption capacity of heat-affected coal (60–160 m from the sill) compared with the unaltered coals. The trap effect of the sill prevented the high-pressure gas from being released, forming gas pocket. Mining activities near the sill created a low pressure zone leading to the rapid accumulation of methane and gas outbursts in the Haizi Mine. PMID:24723841

Effects of igneous intrusion on microporosity and gas adsorption capacity of coals in the Haizi Mine, China.

PubMed

Jiang, Jingyu; Cheng, Yuanping

2014-01-01

This paper describes the effects of igneous intrusions on pore structure and adsorption capacity of the Permian coals in the Huaibei Coalfield, China. Twelve coal samples were obtained at different distances from a ~120 m extremely thick sill. Comparisons were made between unaltered and heat-affected coals using geochemical data, pore-fracture characteristics, and adsorption properties. Thermal alteration occurs down to ~1.3 × sill thickness. Approaching the sill, the vitrinite reflectance (R(o)) increased from 2.30% to 2.78%, forming devolatilization vacuoles and a fine mosaic texture. Volatile matter (VM) decreased from 17.6% to 10.0% and the moisture decreased from 3.0% to 1.6%. With decreasing distance to the sill, the micropore volumes initially increased from 0.0054 cm(3)/g to a maximum of 0.0146 cm(3)/g and then decreased to 0.0079 cm(3)/g. The results show that the thermal evolution of the sill obviously changed the coal geochemistry and increased the micropore volume and adsorption capacity of heat-affected coal (60-160 m from the sill) compared with the unaltered coals. The trap effect of the sill prevented the high-pressure gas from being released, forming gas pocket. Mining activities near the sill created a low pressure zone leading to the rapid accumulation of methane and gas outbursts in the Haizi Mine.

Chromium (Ⅵ) removal from aqueous solutions through powdered activated carbon countercurrent two-stage adsorption.

PubMed

Wang, Wenqiang

2018-01-01

To exploit the adsorption capacity of commercial powdered activated carbon (PAC) and to improve the efficiency of Cr(VI) removal from aqueous solutions, the adsorption of Cr(VI) by commercial PAC and the countercurrent two-stage adsorption (CTA) process was investigated. Different adsorption kinetics models and isotherms were compared, and the pseudo-second-order model and the Langmuir and Freundlich models fit the experimental data well. The Cr(VI) removal efficiency was >80% and was improved by 37% through the CTA process compared with the conventional single-stage adsorption process when the initial Cr(VI) concentration was 50 mg/L with a PAC dose of 1.250 g/L and a pH of 3. A calculation method for calculating the effluent Cr(VI) concentration and the PAC dose was developed for the CTA process, and the validity of the method was confirmed by a deviation of <5%. Copyright © 2017. Published by Elsevier Ltd.

The influence of iron oxide nanoparticles upon the adsorption of organic matter on magnetic powdered activated carbon.

PubMed

Lompe, Kim Maren; Menard, David; Barbeau, Benoit

2017-10-15

Combining powdered activated carbon (PAC) with magnetic iron oxides has been proposed in the past to produce adsorbents for natural organic matter (NOM) removal that can be easily separated using a magnetic field. However, the trade-off between the iron oxides' benefits and the reduced carbon content, porosity, and surface area has not yet been investigated systematically. We produced 3 magnetic powdered activated carbons (MPAC) with mass fractions of 10%, 38% and 54% maghemite nanoparticles and compared them to bare PAC and pure nanoparticles with respect to NOM adsorption kinetics and isotherms. While adsorption kinetics were not influenced by the presence of the iron oxide nanoparticles (IONP), as shown by calculated diffusion coefficients from the homogeneous surface diffusion model, nanoparticles reduced the adsorption capacity of NOM due to their lower adsorption capacity. Although the nanoparticles added mesoporosity to the composite materials they blocked intrinsic PAC mesopores at mass fractions >38% as measured by N 2 -adsorption isotherms. Below this mass fraction, the adsorption capacity was mainly dependent on the carbon content in MPAC and mesopore blocking was negligible. If NOM adsorption with MPAC is desired, a highly mesoporous PAC and a low IONP mass fraction should be chosen during MPAC synthesis. Copyright © 2017 Elsevier Ltd. All rights reserved.

Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations

DOE PAGES

Han, Yong; Evans, James W.

2015-10-27

Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C6-ring center is above a fcc site, a hcp site, and a surface Ru atom of Ru(0001), respectively. The adsorption energy of a Ru adatom is evaluated at specific sites in these distinct regions. We find the strongest binding at an adsorption site above a C atom inmore » the fcc region, next strongest in the hcp region, then the fcc-hcp boundary (ridge) between these regions, and the weakest binding in the mound region. Behavior is similar to that observed from small-unit-cell calculations of Habenicht et al. [Top. Catal. 57, 69 (2014)], which differ from previous large-scale calculations. We determine the minimum-energy path for local diffusion near the center of the fcc region and obtain a local diffusion barrier of ~0.48 eV. We also estimate a significantly lower local diffusion barrier in the ridge region. These barriers and information on the adsorption energy variation facilitate development of a realistic model for the global potential energy surface for Ru adatoms. Furthermore, this in turn enables simulation studies elucidating diffusion-mediated directed-assembly of Ru nanoclusters during deposition of Ru on G/Ru(0001).« less

Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, Yong; Evans, James W.

2015-10-28

Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C{sub 6}-ring center is above a fcc site, a hcp site, and a surface Ru atom of Ru(0001), respectively. The adsorption energy of a Ru adatom is evaluated at specific sites in these distinct regions. We find the strongest binding at an adsorption site above a C atommore » in the fcc region, next strongest in the hcp region, then the fcc-hcp boundary (ridge) between these regions, and the weakest binding in the mound region. Behavior is similar to that observed from small-unit-cell calculations of Habenicht et al. [Top. Catal. 57, 69 (2014)], which differ from previous large-scale calculations. We determine the minimum-energy path for local diffusion near the center of the fcc region and obtain a local diffusion barrier of ∼0.48 eV. We also estimate a significantly lower local diffusion barrier in the ridge region. These barriers and information on the adsorption energy variation facilitate development of a realistic model for the global potential energy surface for Ru adatoms. This in turn enables simulation studies elucidating diffusion-mediated directed-assembly of Ru nanoclusters during deposition of Ru on G/Ru(0001)« less

Estimating Prion Adsorption Capacity of Soil by BioAssay of Subtracted Infectivity from Complex Solutions (BASICS)

PubMed Central

Wyckoff, A. Christy; Lockwood, Krista L.; Meyerett-Reid, Crystal; Michel, Brady A.; Bender, Heather; VerCauteren, Kurt C.; Zabel, Mark D.

2013-01-01

Prions, the infectious agent of scrapie, chronic wasting disease and other transmissible spongiform encephalopathies, are misfolded proteins that are highly stable and resistant to degradation. Prions are known to associate with clay and other soil components, enhancing their persistence and surprisingly, transmissibility. Currently, few detection and quantification methods exist for prions in soil, hindering an understanding of prion persistence and infectivity in the environment. Variability in apparent infectious titers of prions when bound to soil has complicated attempts to quantify the binding capacity of soil for prion infectivity. Here, we quantify the prion adsorption capacity of whole, sandy loam soil (SLS) typically found in CWD endemic areas in Colorado; and purified montmorillonite clay (Mte), previously shown to bind prions, by BioAssay of Subtracted Infectivity in Complex Solutions (BASICS). We incubated prion positive 10% brain homogenate from terminally sick mice infected with the Rocky Mountain Lab strain of mouse-adapted prions (RML) with 10% SLS or Mte. After 24 hours samples were centrifuged five minutes at 200×g and soil-free supernatant was intracerebrally inoculated into prion susceptible indicator mice. We used the number of days post inoculation to clinical disease to calculate the infectious titer remaining in the supernatant, which we subtracted from the starting titer to determine the infectious prion binding capacity of SLS and Mte. BASICS indicated SLS bound and removed ≥ 95% of infectivity. Mte bound and removed lethal doses (99.98%) of prions from inocula, effectively preventing disease in the mice. Our data reveal significant prion-binding capacity of soil and the utility of BASICS to estimate prion loads and investigate persistence and decomposition in the environment. Additionally, since Mte successfully rescued the mice from prion disease, Mte might be used for remediation and decontamination protocols. PMID:23484043

Estimating prion adsorption capacity of soil by BioAssay of Subtracted Infectivity from Complex Solutions (BASICS).

PubMed

Wyckoff, A Christy; Lockwood, Krista L; Meyerett-Reid, Crystal; Michel, Brady A; Bender, Heather; VerCauteren, Kurt C; Zabel, Mark D

2013-01-01

Prions, the infectious agent of scrapie, chronic wasting disease and other transmissible spongiform encephalopathies, are misfolded proteins that are highly stable and resistant to degradation. Prions are known to associate with clay and other soil components, enhancing their persistence and surprisingly, transmissibility. Currently, few detection and quantification methods exist for prions in soil, hindering an understanding of prion persistence and infectivity in the environment. Variability in apparent infectious titers of prions when bound to soil has complicated attempts to quantify the binding capacity of soil for prion infectivity. Here, we quantify the prion adsorption capacity of whole, sandy loam soil (SLS) typically found in CWD endemic areas in Colorado; and purified montmorillonite clay (Mte), previously shown to bind prions, by BioAssay of Subtracted Infectivity in Complex Solutions (BASICS). We incubated prion positive 10% brain homogenate from terminally sick mice infected with the Rocky Mountain Lab strain of mouse-adapted prions (RML) with 10% SLS or Mte. After 24 hours samples were centrifuged five minutes at 200 × g and soil-free supernatant was intracerebrally inoculated into prion susceptible indicator mice. We used the number of days post inoculation to clinical disease to calculate the infectious titer remaining in the supernatant, which we subtracted from the starting titer to determine the infectious prion binding capacity of SLS and Mte. BASICS indicated SLS bound and removed ≥ 95% of infectivity. Mte bound and removed lethal doses (99.98%) of prions from inocula, effectively preventing disease in the mice. Our data reveal significant prion-binding capacity of soil and the utility of BASICS to estimate prion loads and investigate persistence and decomposition in the environment. Additionally, since Mte successfully rescued the mice from prion disease, Mte might be used for remediation and decontamination protocols.

Phosphate adsorption performance of a novel filter substrate made from drinking water treatment residuals.

PubMed

Wang, Wendong; Ma, Cui; Zhang, Yinting; Yang, Shengjiong; Shao, Yue; Wang, Xiaochang

2016-07-01

Phosphate is one of the most predominant pollutants in natural waters. Laboratory experiments were conducted to investigate the phosphate adsorption performance of a (NFS) made from drinking water treatment residuals. The adsorption of phosphate on the NFS fitted well with the Freundlich isotherm and pseudo second-order kinetic models. At pH7.0, the maximum adsorption capacity of 1.03mg/g was achieved at 15°C corresponding to the wastewater temperature in cold months, and increased notably to 1.31mg/g at 35°C. Under both acidic conditions (part of the adsorption sites was consumed) and basic conditions (negative charges formed on the surface of NFS, which led to a static repulsion of PO4(3-) and HPO4(2-)), the adsorption of phosphate was slightly inhibited. Further study showed that part of the adsorption sites could be recovered by 0.25mol/L NaOH. The activation energy was calculated to be above 8.0kJ/mol, indicating that the adsorption of phosphate on NFS was probably a chemical process. Considering the strong phosphate adsorption capacity and recoverability, NFS showed great promise on enhancing phosphate removal from the secondary treated wastewater in the filtration process. Copyright © 2016. Published by Elsevier B.V.

Synthesis of graphene aerogel for adsorption of bisphenol A

NASA Astrophysics Data System (ADS)

Trinh, Truong Thi Phuong Nguyet Xuan; Long, Nguyen Huynh Bach Son; Quang, Dong Thanh; Hieu, Nguyen Huu

2018-04-01

In this research, graphene aerogel (GA) was synthesized by chemical reduction method using ethylene diamine as a reducing agent. The morphology and properties of GA were characterized by calculating apparent density, Fourier transform infrared spectroscopy, X-ray diffraction, Raman spectroscopy, field emission scanning electron microscopy, and Brunauer-Emmett-Teller (BET) specific surface area. High-performance liquid chromatography (HPLC) was used to quantify the amount of the residual bisphenol A (BPA) concentration. The analysis results showed that GA exhibited low density ranging from 4-8 mg/cm3, hydrophobicity, high porosity, and specific surface area of 1883 m2/g according to BET. The obtained GA was used as an adsorbent for BPA. The effects of pH, contact time, and initial BPA concentration on the adsorption were investigated. The adsorption equilibrium time could be reached within 240 minutes. The adsorption data were well-fitted to pseudo-second-order kinetic equation and Langmuir isotherm model. The maximum adsorption capacity of GA for BPA calculated by the Langmuir model was 185.185 mg/g at pH 7. Accordingly, GA could be considered as promising adsorbents for BPA in water.

Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality.

PubMed

Wei, Qichao; Zhao, Weilong; Yang, Yang; Cui, Beiliang; Xu, Zhijun; Yang, Xiaoning

2018-03-19

Considerable interest in characterizing protein/peptide-surface interactions has prompted extensive computational studies on calculations of adsorption free energy. However, in many cases, each individual study has focused on the application of free energy calculations to a specific system; therefore, it is difficult to combine the results into a general picture for choosing an appropriate strategy for the system of interest. Herein, three well-established computational algorithms are systemically compared and evaluated to compute the adsorption free energy of small molecules on two representative surfaces. The results clearly demonstrate that the characteristics of studied interfacial systems have crucial effects on the accuracy and efficiency of the adsorption free energy calculations. For the hydrophobic surface, steered molecular dynamics exhibits the highest efficiency, which appears to be a favorable method of choice for enhanced sampling simulations. However, for the charged surface, only the umbrella sampling method has the ability to accurately explore the adsorption free energy surface. The affinity of the water layer to the surface significantly affects the performance of free energy calculation methods, especially at the region close to the surface. Therefore, a general principle of how to discriminate between methodological and sampling issues based on the interfacial characteristics of the system under investigation is proposed. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Removal of Congo Red from Aqueous Solution by Anion Exchange Membrane (EBTAC): Adsorption Kinetics and Themodynamics.

PubMed

Khan, Muhammad Imran; Akhtar, Shahbaz; Zafar, Shagufta; Shaheen, Aqeela; Khan, Muhammad Ali; Luque, Rafael; Rehman, Aziz Ur

2015-07-08

The adsorption behavior of anionic dye congo red (CR) from aqueous solutions using an anion exchange membrane (EBTAC) has been investigated at room temperature. The effect of several factors including contact time, membrane dosage, ionic strength and temperature were studied. Kinetic models, namely pseudo-first-order and pseudo-second-order, liquid film diffusion and Elovich models as well as Bangham and modified freundlich Equations, were employed to evaluate the experimental results. Parameters such as adsorption capacities, rate constant and related correlation coefficients for every model were calculated and discussed. The adsorption of CR on anion exchange membranes followed pseudo-second-order Kinetics. Thermodynamic parameters, namely changes in Gibbs free energy ( ∆G° ), enthalpy ( ∆H° ) and entropy ( ∆S° ) were calculated for the adsorption of congo red, indicating an exothermic process.

Removal of Congo Red from Aqueous Solution by Anion Exchange Membrane (EBTAC): Adsorption Kinetics and Themodynamics

PubMed Central

Khan, Muhammad Imran; Akhtar, Shahbaz; Zafar, Shagufta; Shaheen, Aqeela; Khan, Muhammad Ali; Luque, Rafael; ur Rehman, Aziz

2015-01-01

The adsorption behavior of anionic dye congo red (CR) from aqueous solutions using an anion exchange membrane (EBTAC) has been investigated at room temperature. The effect of several factors including contact time, membrane dosage, ionic strength and temperature were studied. Kinetic models, namely pseudo-first-order and pseudo-second-order, liquid film diffusion and Elovich models as well as Bangham and modified freundlich Equations, were employed to evaluate the experimental results. Parameters such as adsorption capacities, rate constant and related correlation coefficients for every model were calculated and discussed. The adsorption of CR on anion exchange membranes followed pseudo-second-order Kinetics. Thermodynamic parameters, namely changes in Gibbs free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) were calculated for the adsorption of congo red, indicating an exothermic process. PMID:28793430

Evaluation of the adsorptive behavior of cesium and strontium on hydroxyapatite and zeolite for decontamination of radioactive substances.

PubMed

Ozeki, K; Aoki, H

2016-08-12

Removal of radioactive substances, such as cesium (Cs) and strontium (Sr), has become an emerging issue after the Fukushima Daiichi Nuclear Power Plant Disaster. To assess the possibility that hydroxyapatite (HA) and zeolites can be used for removal of radioactive substances, the adsorption capacities of Cs and Sr on the HA and a zeolite were investigated. The influence of Fe ions on Cs and Sr adsorption on the HA and the zeolite was also evaluated, because Fe ions are the most effective inhibitor of Cs adsorption on the zeolite.In the Cs adsorption process on the HA and the zeolite, the zeolite showed a higher adsorption ratio than the HA, and the maximum sorption capacity of the zeolite was calculated as 196 mg/g, whereas the HA showed a higher Sr adsorption ratio than the zeolite. The maximum sorption capacity of Sr on the HA was 123 mg/g. Under coexistence with Fe, Cs adsorption on the zeolite decreased with increasing Fe concentration, reaching 2.0 ± 0.8% at 0.1 M Fe concentration. In contrast, Cs adsorption on the zeolite was improved by adding the HA. In the case of coexistence of the HA, the Cs adsorption on the mixture of the HA and the zeolite was 52.4% ± 3.6 % at 0.1 M Fe concentration, although Cs adsorption on the HA alone was quite low. In the Fe adsorption processes of the HA and the zeolite, the HA exhibited a maximum sorption capacity of 256 mg/g, which was much higher than that of the zeolite (111 mg/g). The high affinity of Fe on the HA contributes to the improvement of the deteriorated Cs adsorption on the zeolite due to Fe ions.

Mercury adsorption properties of sulfur-impregnated adsorbents

USGS Publications Warehouse

Hsi, N.-C.; Rood, M.J.; Rostam-Abadi, M.; Chen, S.; Chang, R.

2002-01-01

Carbonaceous and noncarbonaceous adsorbents were impregnated with elemental sulfur to evaluate the chemical and physical properties of the adsorbents and their equilibrium mercury adsorption capacities. Simulated coal combustion flue gas conditions were used to determine the equilibrium adsorption capacities for Hg0 and HgCl2 gases to better understand how to remove mercury from gas streams generated by coal-fired utility power plants. Sulfur was deposited onto the adsorbents by monolayer surface deposition or volume pore filling. Sulfur impregnation increased the total sulfur content and decreased the total and micropore surface areas and pore volumes for all of the adsorbents tested. Adsorbents with sufficient amounts of active adsorption sites and sufficient microporous structure had mercury adsorption capacities up to 4,509 ??g Hg/g adsorbent. Elemental sulfur, organic sulfur, and sulfate were formed on the adsorbents during sulfur impregnation. Correlations were established with R2>0.92 between the equilibrium Hg0/HgCl2 adsorption capacities and the mass concentrations of elemental and organic sulfur. This result indicates that elemental and organic sulfur are important active adsorption sites for Hg0 and HgCl2.

Role of adsorption in combined membrane fouling by biopolymers coexisting with inorganic particles.

PubMed

Chen, Xu-di; Wang, Zhi; Liu, Dan-Yang; Xiao, Kang; Guan, Jing; Xie, Yuefeng F; Wang, Xiao-Mao; Waite, T David

2018-01-01

This study was conducted in order to obtain a better understanding of the combined fouling by biopolymers coexisting with inorganic particles from the aspects of fouling index, fouling layer structure and biopolymer-particle interactions. Calcium alginate was used as the model biopolymer and Fe 2 O 3 , Al 2 O 3 , kaolin, and SiO 2 were used as model inorganic particles. Results showed that the combined fouling differed greatly among the four types of inorganic particles. The differences were attributed particularly to the different adsorption capacities for calcium alginate by the particles with this capacity decreasing in the order of Fe 2 O 3 , Al 2 O 3 , kaolin and SiO 2 . Particle size measurement and electron microscopic observation indicated the formation of agglomerates between calcium alginate and those inorganic particles exhibiting strong adsorption capacity. A structure was proposed for the combined fouling layer comprised of a backbone cake layer of alginate-inorganic particle agglomerates with the pores partially filled with discontinuous calcium alginate gels. The filterability of the fouling layer was primarily determined by the abundance of the gels. The strength of physical interaction between calcium alginate and each type of inorganic particle was calculated from the respective surface energies and zeta potentials. Calculation results showed that the extent of physical interaction increased in the order of Al 2 O 3 , Fe 2 O 3 , kaolin and SiO 2 , with this order differing from that of adsorption capacity. Chemical interactions may also play an important role in the adsorption of alginate and the consequent combined fouling. High-resolution XPS scans revealed a slight shift of electron binding energies when alginate was adsorbed. Copyright © 2017 Elsevier Ltd. All rights reserved.

Adsorption of polycyclic aromatic hydrocarbons on graphene oxides and reduced graphene oxides.

PubMed

Sun, Yubing; Yang, Shubin; Zhao, Guixia; Wang, Qi; Wang, Xiangke

2013-11-01

Graphene has attracted increasing attention in multidisciplinary studies because of its unique physical and chemical properties. Herein, the adsorption of polycyclic aromatic hydrocarbons (PAHs), such as naphthalene (NAP), anthracene (ANT), and pyrene (PYR), on reduced graphene oxides (rGOs) and graphene oxides (GOs) as a function of pH, humic acid (HA), and temperature were elucidated by means of a batch technique. For comparison, nonpolar and nonporous graphite were also employed in this study. The increasing of pH from 2 to 11 did not influence the adsorption of PAHs on rGOs, whereas the suppressed adsorption of NAP on rGOs was observed both in the presence of HA and under high-temperature conditions. Adsorption isotherms of PAHs on rGOs were in accordance with the Polanyi-Dubinin-Ashtahhov (PDA) model, providing evidence that pore filling and flat surface adsorption were involved. The saturated adsorbed capacities (in mmol g(-1)) of rGOs for PAHs calculated from the PDA model significantly decreased in the order of NAP>PYR>ANT, which was comparable to the results of theoretical calculations. The pore-filling mechanism dominates the adsorption of NAP on rGOs, but the adsorption mechanisms of ANT and PYR on rGOs are flat surface adsorption. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fiber-based adsorbents having high adsorption capacities for recovering dissolved metals and methods thereof

DOEpatents

Janke, Christopher J.; Dai, Sheng; Oyola, Yatsandra

2016-09-06

A fiber-based adsorbent and a related method of manufacture are provided. The fiber-based adsorbent includes polymer fibers with grafted side chains and an increased surface area per unit weight over known fibers to increase the adsorption of dissolved metals, for example uranium, from aqueous solutions. The polymer fibers include a circular morphology in some embodiments, having a mean diameter of less than 15 microns, optionally less than about 1 micron. In other embodiments, the polymer fibers include a non-circular morphology, optionally defining multiple gear-shaped, winged-shaped or lobe-shaped projections along the length of the polymer fibers. A method for forming the fiber-based adsorbents includes irradiating high surface area polymer fibers, grafting with polymerizable reactive monomers, reacting the grafted fibers with hydroxylamine, and conditioning with an alkaline solution. High surface area fiber-based adsorbents formed according to the present method demonstrated a significantly improved uranium adsorption capacity per unit weight over existing adsorbents.

Fiber-based adsorbents having high adsorption capacities for recovering dissolved metals and methods thereof

DOEpatents

Janke, Christopher J; Dai, Sheng; Oyola, Yatsandra

2014-05-13

A fiber-based adsorbent and a related method of manufacture are provided. The fiber-based adsorbent includes polymer fibers with grafted side chains and an increased surface area per unit weight over known fibers to increase the adsorption of dissolved metals, for example uranium, from aqueous solutions. The polymer fibers include a circular morphology in some embodiments, having a mean diameter of less than 15 microns, optionally less than about 1 micron. In other embodiments, the polymer fibers include a non-circular morphology, optionally defining multiple gear-shaped, winged-shaped or lobe-shaped projections along the length of the polymer fibers. A method for forming the fiber-based adsorbents includes irradiating high surface area polymer fibers, grafting with polymerizable reactive monomers, reacting the grafted fibers with hydroxylamine, and conditioning with an alkaline solution. High surface area fiber-based adsorbents formed according to the present method demonstrated a significantly improved uranium adsorption capacity per unit weight over existing adsorbents.

Preparation of porous diatomite-templated carbons with large adsorption capacity and mesoporous zeolite K-H as a byproduct.

PubMed

Liu, Dong; Yuan, Weiwei; Deng, Liangliang; Yu, Wenbin; Sun, Hongjuan; Yuan, Peng

2014-06-15

In this study, KOH activation was performed to enhance the porosity of the diatomite-templated carbon and to increase its adsorption capacity of methylene blue (MB). In addition to serving as the activation agent, KOH was also used as the etchant to remove the diatomite templates. Zeolite K-H was synthesized as a byproduct via utilization of the resultant silicon- and potassium-containing solutions created from the KOH etching of the diatomite templates. The obtained diatomite-based carbons were composed of macroporous carbon pillars and tubes, which were derived from the replication of the diatomite templates and were well preserved after KOH activation. The abundant micropores in the walls of the carbon pillars and tubes were derived from the break and reconfiguration of carbon films during both the removal of the diatomite templates and KOH activation. Compared with the original diatomite-templated carbons and CO2-activated carbons, the KOH-activated carbons had much higher specific surface areas (988 m(2)/g) and pore volumes (0.675 cm(3)/g). Moreover, the KOH-activated carbons possessed larger MB adsorption capacity (the maximum Langmuir adsorption capacity: 645.2 mg/g) than those of the original carbons and CO2-activated carbons. These results showed that KOH activation was a high effective activation method. The zeolite K-H byproduct was obtained by utilizing the silicon- and potassium-containing solution as the silicon and potassium sources. The zeolite exhibited a stick-like morphology and possessed nanosized particles with a mesopore-predominant porous structure which was observed by TEM for the first time. Copyright © 2014 Elsevier Inc. All rights reserved.

Removal of vertigo blue dyes from Batik textile wastewater by adsorption onto activated carbon and coal bottom ash

NASA Astrophysics Data System (ADS)

Kusmiyati, L., Puspita Adi; Deni, V.; Robi Indra, S.; Islamica, Dlia; Fuadi, M.

2016-04-01

Removal of vertigo blue dye from batik textile wastewater was studied by adsorptionprocess onto activated carbon (AC) and coal bottom ash (CBA).The influence of experimental conditions (pH solution, dye concentration, and contact time) were studied on the both adsorbents. At equilibrium conditions, the data were fitted to Langmuir and Freundlich adsorption models. The maximum adsorption capacity calculated from the Langmuir model for carbon active was 6.29mg/g at pH that found to be considerably higher than that obtained for coal bottom ash 3.72mg/g pH 9. From Freundlich model, the maximum adsorption capacity is less for coal bottom ash (pH 9) than that for carbon active (pH4).

Characteristics and mechanisms of nickel adsorption on biochars produced from wheat straw pellets and rice husk.

PubMed

Shen, Zhengtao; Zhang, Yunhui; McMillan, Oliver; Jin, Fei; Al-Tabbaa, Abir

2017-05-01

The adsorption characteristics and mechanisms of Ni 2+ on four-standard biochars produced from wheat straw pellets (WSP550, WSP700) and rice husk (RH550, RH700) at 550 and 700 °C, respectively, were investigated. The kinetic results show that the adsorption of Ni 2+ on the biochars reached an equilibrium within 5 min. The increase of the solid to liquid ratio resulted in an increase of Ni 2+ removal percentage but a decrease of the adsorbed amount of Ni 2+ per weight unit of biochar. The Ni 2+ removal percentage increased with the increasing of initial solution pH values at the range of 2-4, was relatively constant at the pH range of 4-8, and significantly increased to ≥98% at pH 9 and stayed constantly at the pH range of 9-10. The calculated maximum adsorption capacities of Ni 2+ for the biochars follow the order of WSP700 > WSP550 > RH700 > RH550. Both cation exchange capacity and pH of biochar can be a good indicator of the maximum adsorption capacity for Ni 2+ showing a positively linear and exponential relationship, respectively. This study also suggests that a carefully controlled standardised production procedure can make it reliable to compare the adsorption capacities between different biochars and investigate the mechanisms involved.

Adsorption-desorption behavior of atrazine on agricultural soils in China.

PubMed

Yue, Lin; Ge, ChengJun; Feng, Dan; Yu, Huamei; Deng, Hui; Fu, Bomin

2017-07-01

Adsorption and desorption are important processes that affect atrazine transport, transformation, and bioavailability in soils. In this study, the adsorption-desorption characteristics of atrazine in three soils (laterite, paddy soil and alluvial soil) were evaluated using the batch equilibrium method. The results showed that the kinetics of atrazine in soils was completed in two steps: a "fast" adsorption and a "slow" adsorption and could be well described by pseudo-second-order model. In addition, the adsorption equilibrium isotherms were nonlinear and were well fitted by Freundlich and Langmuir models. It was found that the adsorption data on laterite, and paddy soil were better fitted by the Freundlich model; as for alluvial soil, the Langmuir model described it better. The maximum atrazine sorption capacities ranked as follows: paddy soil>alluvial soil>laterite. Results of thermodynamic calculations indicated that atrazine adsorption on three tested soils was spontaneous and endothermic. The desorption data showed that negative hysteresis occurred. Furthermore, lower solution pH value was conducive to the adsorption of atrazine in soils. The atrazine adsorption in these three tested soils was controlled by physical adsorption, including partition and surface adsorption. At lower equilibrium concentration, the atrazine adsorption process in soils was dominated by surface adsorption; while with the increase of equilibrium concentration, partition was predominant. Copyright © 2016. Published by Elsevier B.V.

Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.

PubMed

Heinen, Jurn; Burtch, Nicholas C; Walton, Krista S; Fonseca Guerra, Célia; Dubbeldam, David

2016-12-12

For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor-acceptor interactions. Using a density-function-theory-based energy decomposition scheme, we develop a physically justifiable classical force field that incorporates the missing orbital interactions using an appropriate functional form. Our first-principles derived force field shows greatly improved quantitative agreement with the inflection points, initial uptake, saturation capacity, and enthalpies of adsorption obtained from our in-house adsorption experiments. While IAST fails to make accurate predictions, our improved force field model is able to correctly predict the multicomponent behavior. Our approach is also transferable to other OMS structures, allowing the accurate study of their separation performances for olefins/paraffins and further mixtures involving complex donor-acceptor interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Adsorption of Congo red from aqueous solution on hydroxyapatite].

PubMed

Zhan, Yan-Hui; Lin, Jian-Wei

2013-08-01

The adsorption of Congo red (CR) from aqueous solution on hydroxyapatite was investigated using batch experiments. The hydroxyapatite was effective for CR removal from aqueous solution. The adsorption kinetics of CR on hydroxyapatite well followed a pseudo-second-order model. The equilibrium adsorption data of CR on hydroxyapatite could be described by the Langmuir, Freundlich and Dubinin-Radushkevich (D-R) isotherm models. Thermodynamic parameters such as Gibbs free energy change, enthalpy change and entropy change were calculated and showed that the adsorption of CR on hydroxyapatite was spontaneous and exothermic in nature. The CR adsorption capacity for hydroxyapatite decreased significantly with increasing pH from 8 to 10. Thermal regeneration showed that hydroxyapatite could be used for six desorption-adsorption cycles with high removal efficiency for CR in each cycle. The mechanisms for CR adsorption on hydroxyapatite with pH value below the pH at point of zero charge (pH(PZC)) include electrostatic attraction, hydrogen bonding and Lewis acid-base interaction. The mechanisms for CR adsorption on hydroxyapatite with pH value above its pH(PZC) include hydrogen bonding and Lewis acid-base interaction. Results of this work indicate that hydroxyapatite is a promising adsorbent for CR removal from aqueous solution.

Adsorption of antibiotics on microplastics.

PubMed

Li, Jia; Zhang, Kaina; Zhang, Hua

2018-06-01

Microplastics and antibiotics are two classes of emerging contaminants with proposed negative impacts to aqueous ecosystems. Adsorption of antibiotics on microplastics may result in their long-range transport and may cause compound combination effects. In this study, we investigated the adsorption of 5 antibiotics [sulfadiazine (SDZ), amoxicillin (AMX), tetracycline (TC), ciprofloxacin (CIP), and trimethoprim (TMP)] on 5 types of microplastics [polyethylene (PE), polystyrene (PS), polypropylene (PP), polyamide (PA), and polyvinyl chloride (PVC)] in the freshwater and seawater systems. Scanning Electron Microscope (SEM) and X-ray diffractometer (XRD) analysis revealed that microplastics have different surface characterizes and various degrees of crystalline. Adsorption isotherms demonstrated that PA had the strongest adsorption capacity for antibiotics with distribution coefficient (K d ) values ranged from 7.36 ± 0.257 to 756 ± 48.0 L kg -1 in the freshwater system, which can be attributed to its porous structure and hydrogen bonding. Relatively low adsorption capacity was observed on other four microplastics. The adsorption amounts of 5 antibiotics on PS, PE, PP, and PVC decreased in the order of CIP > AMX > TMP > SDZ > TC with K f correlated positively with octanol-water partition coefficients (Log K ow ). Comparing to freshwater system, adsorption capacity in seawater decreased significantly and no adsorption was observed for CIP and AMX. Our results indicated that commonly observed polyamide particles can serve as a carrier of antibiotics in the aquatic environment. Copyright © 2018 Elsevier Ltd. All rights reserved.

Sonochemical surface functionalization of exfoliated LDH: Effect on textural properties, CO2 adsorption, cyclic regeneration capacities and subsequent gas uptake for simultaneous methanol synthesis.

PubMed

Ezeh, Collins I; Huang, Xiani; Yang, Xiaogang; Sun, Cheng-Gong; Wang, Jiawei

2017-11-01

To improve CO 2 adsorption, amine modified Layered double hydroxide (LDH) were prepared via a two stage process, SDS/APTS intercalation was supported by ultrasonic irradiation and then followed by MEA extraction. The prepared samples were characterised using Scanning electron microscope-Energy dispersive X-ray spectroscopy (SEM-EDX), X-ray Photoelectron Spectroscopy (XPS), X-ray diffraction (XRD), Temperature Programmed Desorption (TPD), Brunauer-Emmett-Teller (BET), and Thermogravimetric analysis (TGA), respectively. The characterisation results were compared with those obtained using the conventional preparation method with consideration to the effect of sonochemical functionalization on textural properties, adsorption capacity, regeneration and lifetime of the LDH adsorbent. It is found that LDHs prepared by sonochemical modification had improved pore structure and CO 2 adsorption capacity, depending on sonic intensity. This is attributed to the enhanced deprotonation of activated amino functional groups via the sonochemical process. Subsequently, this improved the amine loading and effective amine efficiency by 60% of the conventional. In addition, the sonochemical process improved the thermal stability of the adsorbent and also, reduced the irreversible CO 2 uptake, CUirrev, from 0.18mmol/g to 0.03mmol/g. Subsequently, improving the lifetime and ease of regenerating the adsorbent respectively. This is authenticated by subjecting the prepared adsorbents to series of thermal swing adsorption (TSA) cycles until its adsorption capacity goes below 60% of the original CO 2 uptake. While the conventional adsorbent underwent a 10 TSA cycles before breaking down, the sonochemically functionalized LDH went further than 30 TSA cycles. Copyright © 2017 Elsevier B.V. All rights reserved.

Lithium and sodium adsorption properties of two-dimensional aluminum nitride

NASA Astrophysics Data System (ADS)

Sengupta, Amretashis

2018-09-01

In this work the lithiation and sodiation properties of 2-dimensional (2D) AlN sheets are studied from density functional theory (DFT) simulations. 2D AlN showed theoretical specific capacity of 500.8 and 385.3 mA h g-1, maximum open circuit voltage of 1.49 and 1.86 V and diffusion barriers 0.40 and 0.15 eV, for Li and Na adsorption respectively. The calculations show 2D AlN as a possible alternative as anode material in Li-ion and Na-ion batteries. Further the high specific capacity and small diffusion barriers for Na atoms can make 2D AlN useful in supercapacitors. The change in carrier transport properties due to Li/Na adsorption on monolayer AlN can also be useful in chemical/bio-sensors and nanoelectronics devices.

Dissociative adsorption of water on Au/MgO/Ag(001) from first principles calculations

NASA Astrophysics Data System (ADS)

Nevalaita, J.; Häkkinen, H.; Honkala, K.

2015-10-01

The molecular and dissociative adsorption of water on a Ag-supported 1 ML, 2 ML and 3 ML-a six atomic layer-thick MgO films with a single Au adatom is investigated using density functional theory calculations. The obtained results are compared to a bulk MgO(001) surface with an Au atom. On thin films the negatively charged Au strengthens the binding of the polar water molecule due to the attractive Au-H interaction. The adsorption energy trends of OH and H with respect to the film thickness depend on an adsorption site. In the case OH or H binds atop Au on MgO/Ag(001), the adsorption becomes more exothermic with the increasing film thickness, while the reverse trend is seen when the adsorption takes place on bare MgO/Ag(001). This behavior can be explained by different bonding mechanisms identified with the Bader analysis. Interestingly, we find that the rumpling of the MgO film and the MgO-Ag interface distance correlate with the charge transfer over the thin film and the interface charge, respectively. Moreover, we employ a modified Born-Haber-cycle to analyze the effect of film thickness to the adsorption energy of isolated Au and OH species on MgO/Ag(001). The analysis shows that the attractive Coulomb interaction between the negatively charged adsorbate and the positive MgO-Ag-interface does not completely account for the weaker binding with increasing film thickness. The redox energy associated with the charge transfer from the interface to the adsorbate is more exothermic with the increasing film thickness and partly compensates the decrease in the attractive Coulomb interaction.

Study of the scale-up, formulation, ageing and ammonia adsorption capacity of MIL-100(Fe), Cu-BTC and CPO-27(Ni) for use in respiratory protection filters.

PubMed

Hindocha, S; Poulston, S

2017-09-01

The metal-organic frameworks (MOFs) MIL-100(Fe), Cu-BTC and CPO-27(Ni) were synthesised in 1 kg batches. The materials were then formed in two different industrially relevant ways. Firstly, dry granulation was used to produce pellets which were sieved to give material with a 300-1000 μm size, and the fines were subsequently recycled to mimic a large scale industrial process. Secondly, wet granulation with a polymer was used to produce granules which were again sieved to 300-1000 μm. XRD data shows that the structures of MIL-100(Fe) and CPO-27(Ni) remain intact during both forming processes, whilst Cu-BTC is shown to degrade during processing. This is in line with the ammonia adsorption data obtained for the formed materials which evaluated the ammonia adsorption capacity of the materials using breakthrough measurements. MIL-100(Fe) and CPO-27(Ni) are shown to have capacities of 47 mg g -1 and 62 mg g -1 respectively whilst Cu-BTC has a decreased capacity of 37 mg g -1 from 97 mg g -1 upon forming. The formed materials were also aged at 25 °C and 80% humidity for a week and the ammonia adsorption capacity re-evaluated. As expected, Cu-BTC decomposed under these conditions, whilst MIL-100(Fe) and CPO-27(Ni) show slightly decreased ammonia adsorption capacities of 36 mg g -1 and 60 mg g -1 respectively.

Nature of adsorption on TiC(111) investigated with density-functional calculations

NASA Astrophysics Data System (ADS)

Ruberto, Carlo; Lundqvist, Bengt I.

2007-06-01

Extensive density-functional calculations are performed for chemisorption of atoms in the three first periods (H, B, C, N, O, F, Al, Si, P, S, and Cl) on the polar TiC(111) surface. Calculations are also performed for O on TiC(001), for full O(1×1) monolayer on TiC(111), as well as for bulk TiC and for the clean TiC(111) and (001) surfaces. Detailed results concerning atomic structures, energetics, and electronic structures are presented. For the bulk and the clean surfaces, previous results are confirmed. In addition, detailed results are given on the presence of C-C bonds in the bulk and at the surface, as well as on the presence of a Ti-based surface resonance (TiSR) at the Fermi level and of C-based surface resonances (CSR’s) in the lower part of the surface upper valence band. For the adsorption, adsorption energies Eads and relaxed geometries are presented, showing great variations characterized by pyramid-shaped Eads trends within each period. An extraordinarily strong chemisorption is found for the O atom, 8.8eV /adatom. On the basis of the calculated electronic structures, a concerted-coupling model for the chemisorption is proposed, in which two different types of adatom-substrate interactions work together to provide the obtained strong chemisorption: (i) adatom-TiSR and (ii) adatom-CSR’s. This model is used to successfully describe the essential features of the calculated Eads trends. The fundamental nature of this model, based on the Newns-Anderson model, should make it apt for general application to transition-metal carbides and nitrides and for predictive purposes in technological applications, such as cutting-tool multilayer coatings and MAX phases.

Adsorption characteristics of siloxanes in landfill gas by the adsorption equilibrium test.

PubMed

Nam, Sangchul; Namkoong, Wan; Kang, Jeong-Hee; Park, Jin-Kyu; Lee, Namhoon

2013-10-01

Due to the increase in energy cost by constantly high oil prices and the obligation to reduce greenhouse effect gases, landfill gas is frequently used as an alternative energy source for producing heat and electricity. Most of landfill gas utility facilities, however, are experiencing problems controlling siloxanes from landfill gas as their catalytic oxidizers are becoming fouled by silicon dioxide dust. To evaluate adsorption characteristics of siloxanes, an adsorption equilibrium test was conducted and parameters in the Freundlich and Langmuir isotherms were analyzed. Coconut activated carbon (CA1), coal activated carbon (CA2), impregnated activated carbon (CA3), silicagel (NCA1), and activated alumina (NCA2) were used for the adsorption of the mixed siloxane which contained hexamethyldisiloxane (L2), octamethylcyclotetrasiloxane (D4), and decamethylcyclopentasiloxane (D5). L2 had higher removal efficiency in noncarbon adsorbents compared to carbon adsorbents. The application of Langmuir and Freundlich adsorption isotherm demonstrated that coconut based CA1 and CA3 provided higher adsorption capacity on L2. And CA2 and NCA1 provided higher adsorption capacity on D4 and D5. Based on the experimental results, L2, D4, and D5 were converted by adsorption and desorption in noncarbon adsorbents. Adsorption affinity of siloxane is considered to be affect by the pore size distribution of the adsorbents and by the molecular size of each siloxane. Copyright © 2013 Elsevier Ltd. All rights reserved.

Dimethyl methylphosphonate adsorption and decomposition on MoO2 as studied by ambient pressure x-ray photoelectron spectroscopy and DFT calculations

NASA Astrophysics Data System (ADS)

Head, Ashley R.; Tsyshevsky, Roman; Trotochaud, Lena; Yu, Yi; Karslıoǧlu, Osman; Eichhorn, Bryan; Kuklja, Maija M.; Bluhm, Hendrik

2018-04-01

Organophosphonates range in their toxicity and are used as pesticides, herbicides, and chemical warfare agents (CWAs). Few laboratories are equipped to handle the most toxic molecules, thus simulants such as dimethyl methylphosphonate (DMMP), are used as a first step in studying adsorption and reactivity on materials. Benchmarked by combined experimental and theoretical studies of simulants, calculations offer an opportunity to understand how molecular interactions with a surface changes upon using a CWA. However, most calculations of DMMP and CWAs on surfaces are limited to adsorption studies on clusters of atoms, which may differ markedly from the behavior on bulk solid-state materials with extended surfaces. We have benchmarked our solid-state periodic calculations of DMMP adsorption and reactivity on MoO2 with ambient pressure x-ray photoelectron spectroscopy studies (APXPS). DMMP is found to interact strongly with a MoO2 film, a model system for the MoO x component in the ASZM-TEDA© gas filtration material. Density functional theory modeling of several adsorption and decomposition mechanisms assist the assignment of APXPS peaks. Our results show that some of the adsorbed DMMP decomposes, with all the products remaining on the surface. The rigorous calculations benchmarked with experiments pave a path to reliable and predictive theoretical studies of CWA interactions with surfaces.

Improving the capacity of lithium-sulfur batteries by tailoring the polysulfide adsorption efficiency of hierarchical oxygen/nitrogen-functionalized carbon host materials.

PubMed

Schneider, Artur; Janek, Jürgen; Brezesinski, Torsten

2017-03-22

The use of monolithic carbons with structural hierarchy and varying amounts of nitrogen and oxygen functionalities as sulfur host materials in high-loading lithium-sulfur cells is reported. The primary focus is on the strength of the polysulfide/carbon interaction with the goal of assessing the effect of (surface) dopant concentration on cathode performance. The adsorption capacity - which is a measure of the interaction strength between the intermediate lithium polysulfide species and the carbon - was found to scale almost linearly with the nitrogen level. Likewise, the discharge capacity of lithium-sulfur cells increased linearly. This positive correlation can be explained by the favorable effect of nitrogen on both the chemical and electronic properties of the carbon host. The incorporation of additional oxygen-containing surface groups into highly nitrogen-functionalized carbon helped to further enhance the polysulfide adsorption efficiency, and therefore the reversible cell capacity. Overall, the areal capacity could be increased by almost 70% to around 3 mA h cm -2 . We believe that the design parameters described here provide a blueprint for future carbon-based nanocomposites for high-performance lithium-sulfur cells.

An adsorbent with a high adsorption capacity obtained from the cellulose sludge of industrial residues.

PubMed

Orlandi, Géssica; Cavasotto, Jéssica; Machado, Francisco R S; Colpani, Gustavo L; Magro, Jacir Dal; Dalcanton, Francieli; Mello, Josiane M M; Fiori, Márcio A

2017-02-01

One of the major problems in effluent treatment plants of the cellulose and paper industry is the large amount of residual sludge generated. Therefore, this industry is trying to develop new methods to treat such residues and to use them as new products, such as adsorbents. In this regard, the objective of this work was to develop an adsorbent using the raw activated sludge generated by the cellulose and paper industry. The activated cellulose sludge, after being dried, was chemically activated with 42.5% (v/v) phosphoric acid at 85 °C for 1 h and was charred at 500 °C, 600 °C and 700 °C for 2 h. The efficiency of the obtained adsorbent materials was evaluated using kinetic tests with methylene blue solutions. Using the adsorption kinetics, it was verified that the three adsorbents showed the capacity to adsorb dye, and the adsorbent obtained at a temperature of 600 °C showed the highest adsorption capacity of 107.1 mg g -1 . The kinetic model that best fit the experimental data was pseudo-second order. The Langmuir-Freudlich isotherm adequately described the experimental data. As a result, the cellulose sludge generated by the cellulose and paper industries could be used as an adsorbent. Copyright © 2016 Elsevier Ltd. All rights reserved.

Adsorption effect on the formation of conductive path in defective TiO2: ab initio calculations

NASA Astrophysics Data System (ADS)

Li, Lei; Li, Wenshi; Qin, Han; Yang, Jianfeng; Mao, Ling-Feng

2017-10-01

Although the metal/TiO2/metal junctions providing resistive switching properties have attracted lots of attention in recent decades, revealing the atomic-nature of conductive path in TiO2 active layer remains a critical challenge. Here the effects of metal adsorption on defective TiO2(1 1 0) surface are theoretically investigated via ab initio calculations. The dependence of the conductive path on the adsorption of Ti/Zr/Cu/Pt/O atoms above a lattice Ti-ion in (1 1 0) plane and at 〈1 1 0〉 direction of the defective TiO2(0 0 1) surface are compared. It is found that Ti adsorptions in both sites give larger contributions to the presence of conductive path with more stability and larger transport coefficients at Fermi level, whereas the O adsorptions at both sites fail to produce conductive path. Moreover, the adsorptions of Zr/Cu/Pt atoms reduce the existence possibility of conductive path, especially absorbed above the lattice Ti-ion at 〈1 1 0〉 direction. Thus, it is helpful to clarify the interaction of the metal electrode and oxide layer in resistive random access memory.

Theoretical study on the gas adsorption capacity and selectivity of CPM-200-In/Mg and CPM-200-In/Mg-X (-X = -NH2, -OH, -N, -F).

PubMed

Liu, Xiao-le; Chen, Guang-Hui; Wang, Xiu-Jun; Li, Peng; Song, Yi-Bing; Li, Rui-Yan

2017-11-15

The adsorption capacities of a heterometallic metal-organic framework (CPM-200-In/Mg) to VOCs (HCHO, C 2 H 4 , CH 4 , C 2 H 2 , C 3 H 8 , C 2 H 6 , C 2 H 3 Cl, C 2 H 2 Cl 2 , CH 2 Cl 2 and CHCl 3 ) and some inorganic gas molecules (HCN, SO 2 , NO, CO 2 , CO, H 2 S and NH 3 ), as well as its selectivity in ternary mixture systems of natural gas and post-combustion flue gas are theoretically explored at the grand canonical Monte Carlo (GCMC) and density functional theory (DFT) levels. It is shown that CPM-200-In/Mg is suitable for the adsorption of VOCs, particularly for HCHO (up to 0.39 g g -1 at 298 K and 1 bar), and the adsorption capacities of some inorganic gas molecules such as SO 2 , H 2 S and CO 2 match well with the sequence of their polarizability (SO 2 > H 2 S > CO 2 ). The large adsorption capacities of HCN and HCHO in the framework result from the strong interaction between adsorbates and metal centers, based on analyzing the radial distribution functions (RDF). Comparing C 2 H 4 and CH 4 molecules interacting with CPM-200-In/Mg by VDW interaction, we speculate that the high adsorption capacities of their chlorine derivatives in the framework could be due to the existence of halogen bonding or strong electrostatic and VDW interactions. It is found that the basic groups, including -NH 2 , -N and -OH, can effectively improve both the adsorption capacities and selectivity of CPM-200-In/Mg for harmful gases. Note that the adsorption capacity of CPM-200-In/Mg-NH 2 (site 2) (245 cm 3 g -1 ) for CO 2 exceeded that of MOF-74-Mg (228 cm 3 g -1 ) at 273 K and 1 bar and that for HCHO can reach 0.41 g g -1 , which is almost twice that of 438-MOF and nearly 45 times of that in active carbon. Moreover, for natural gas mixtures, the decarburization and desulfurization abilities of CPM-200-In/Mg-NH 2 (site 2) have exceeded those of the MOF-74 series, while for post-combustion flue gas mixtures, the desulfurization ability of CPM-200-In/Mg-NH 2 (site 2) is still

Adsorption of pharmaceuticals onto trimethylsilylated mesoporous SBA-15.

PubMed

Bui, Tung Xuan; Pham, Viet Hung; Le, Son Thanh; Choi, Heechul

2013-06-15

The adsorption of a complex mixture of 12 selected pharmaceuticals to trimethylsilylated mesoporous SBA-15 (TMS-SBA-15) has been investigated by batch adsorption experiments. The adsorption of pharmaceuticals to TMS-SBA-15 was highly dependent on the solution pH and pharmaceutical properties (i.e., hydrophobicity (logKow) and acidity (pKa)). Good log-log linear relationships between the adsorption (Kd) and pH-dependent octanol-water coefficients (Kow(pH)) were then established among the neutral, anionic, and cationic compounds, suggesting hydrophobic interaction as a primary driving force in the adsorption. In addition, the neutral species of each compound accounted for a major contribution to the overall compound adsorption onto TMS-SBA-15. The adsorption kinetics of pharmaceuticals was evaluated by the nonlinear first-order and pseudo-second-order models. The first-order model gave a better fit for five pharmaceuticals with lower adsorption capacity, whereas the pseudo-second-order model fitted better for seven pharmaceuticals having higher adsorption capacity. In the same group of properties, pharmaceuticals having higher adsorption capacity exhibited faster adsorption rates. The rate-limiting steps for adsorption of pharmaceuticals onto TMS-SBA-15 are boundary layer diffusion and intraparticle diffusion including diffusion in mesopores and micropores. In addition, the adsorption of pharmaceuticals to TMS-SBA-15 was not influenced by the change of initial pharmaceutical concentration (10-100μgL(-1)) and the presence of natural organic matter. Copyright © 2013 Elsevier B.V. All rights reserved.

2,4-D adsorption to biochars: effect of preparation conditions on equilibrium adsorption capacity and comparison with commercial activated carbon literature data.

PubMed

Kearns, J P; Wellborn, L S; Summers, R S; Knappe, D R U

2014-10-01

Batch isotherm experiments were conducted with chars to study adsorption of the herbicide 2,4-dichlorophenoxyacetic acid (2,4-D). Chars generated from corncobs, bamboo and wood chips in a laboratory pyrolyzer at 400-700 °C were compared with traditional kiln charcoals collected from villages in S/SE Asia and with activated carbons (ACs). 2,4-D uptake by laboratory chars obtained from bamboo and wood chips after 14 h of pyrolysis at 700 °C, from wood chips after 96 h of pyrolysis at 600 °C, and one of the field-collected chars (basudha) was comparable to ACs. H:C and O:C ratios declined with pyrolysis temperature and duration while surface area increased to >500 m(2)/g. Increasing pyrolysis intensity by increasing temperature and/or duration of heating was found to positively influence adsorption capacity yield (mg(2,4-D/g(feedstock))) over the range of conditions studied. Economic analysis showed that high temperature chars can be a cost-effective alternative to ACs for water treatment applications. Copyright © 2014 Elsevier Ltd. All rights reserved.

The Calculation of Adsorption Isotherms from Chromatographic Peak Shapes

ERIC Educational Resources Information Center

Neumann, M. G.

1976-01-01

Discusses the relationship between adsorption isotherms and elution peak shapes in gas chromatography, and describes a laboratory experiment which involves the adsorption of hexane, cyclohexane, and benzene on alumina at different temperatures. (MLH)

[Toluene, Benzene and Acetone Adsorption by Activated Carbon Coated with PDMS].

PubMed

Liu, Han-bing; Jiang, Xin; Wang, Xin; Yang, Bing; Xue, Nan-dong; Zhang, Shi-lei

2016-04-15

To improve the adsorption selectivity of volatile organic compounds ( VOCs) , activated carbon ( AC) was modified by polydimethylsiloxane (PDMS) and characterized by BET analysis and Boehm titration. Dynamic adsorption column experiments were conducted and Yoon-Neslon(Y-N) model was used to identify adsorption effect for toluene, beuzene and acetone on AC when relative humidity was 0%, 50% and 90%, respectively. The results showed that the BET area, micropore volume and surface functional groups decreased with the PDMS modification, and surface hydrophobicity of the modified AC was enhanced leading to a lower water adsorption capacity. The results of dynamic adsorption showed that the adsorption kinetics and capacity of Bare-AC decreased with the increase of relative humidity, and the adsorption capacities of PDMS coated AC were 1.86 times (toluene) and 1.92 times (benzene) higher than those of Bare-AC, while a significant improvement of adsorption capacity for acetone was not observed. These findings suggest that polarity of molecule can be an important influencing factor for adsorption on hydrophobic surface developed by PDMS.

DFT study of CO2 and H2O co-adsorption on carbon models of coal surface.

PubMed

Gao, Zhengyang; Ding, Yi

2017-06-01

The moisture content of coal affects the adsorption capacity of CO 2 on the coal surface. Since the hydrogen bonds are formed between H 2 O and oxygen functional group, the H 2 O cluster more easily adsorbs on the coal micropore than CO 2 molecule. The coal micropores are occupied by H 2 O molecules that cannot provide extra space for CO 2 adsorption, which may leads to the reduction of CO 2 adsorption capacity. However, without considering factors of micropore and oxygen functional groups, the co-adsorption mechanisms of CO 2 and adsorbed H 2 O molecule are not clear. Density functional theory (DFT) calculations were performed to elucidate the effect of adsorbed H 2 O to CO 2 adsorption. This study reports some typical coal-H 2 O···CO 2 complexes, along with a detailed analysis of the geometry, energy, electrostatic potential (ESP), atoms in molecules (AIM), reduced density gradient (RDG), and energy decomposition analysis (EDA). The results show that H 2 O molecule can more stably adsorb on the aromatic ring surface than CO 2 molecule, and the absolute values of local ESP maximum and minimum of H 2 O cluster are greater than CO 2 . AIM analysis shows a detailed interaction path and strength between atoms in CO 2 and H 2 O, and RDG analysis shows that the interactions among CO 2 , H 2 O, and coal model belong to weak van der Waals force. EDA indicates that electrostatic and long-range dispersion terms play a primary role in the co-adsorption of CO 2 and H 2 O. According to the DFT calculated results without considering micropore structure and functional group, it is shown that the adsorbed H 2 O can promote CO 2 adsorption on the coal surface. These results demonstrate that the micropore factor plays a dominant role in affecting CO 2 adsorption capacity, the attractive interaction of adsorbed H 2 O to CO 2 makes little contribution.

Enhancing Adsorption Capacity while Maintaining Specific Recognition Performance of Mesoporous Silica: A Novel Imprinting Strategy with Amphiphilic Ionic Liquid as Surfactant.

PubMed

Ding, Shichao; Li, Zhiling; Cheng, Yuan; Du, Chunbao; Gao, Junfeng; Zhang, Yong-Wei; Zhang, Nan; Li, Zhaotong; Chang, Ninghui; Hu, Xiaoling

2018-06-21

In order to facilitate the broad applications of molecular recognition materials in biomedical areas, it is critical to enhance their adsorption capacity while maintaining their excellent recognition performance. In this work, we designed and synthesized well-defined peptide-imprinted mesoporous silica (PIMS) for specific recognition of an immunostimulating hexapeptide from human casein (IHHC) by using amphiphilic ionic liquid as the surfactant to anchor IHHC via a combination of one step sol-gel method and docking oriented imprinting approach. Thereinto, theoretical calculation was employed to reveal the multiple binding interactions and dual-template configuration between amphiphilic ionic liquid and IHHC. The fabricated PIMS was characterized and an in-depth analysis of specific recognition mechanism was conducted. Results revealed that both adsorption and recognition capabilities of PIMS far exceeded that of the NIMS's. More significantly, the PIMS exhibited a superior binding capacity (60.5 mg g-1), which could increase 18.9% than the previous work. The corresponding imprinting factor and selectivity coefficient could reach up to 4.51 and 3.30, respectively. The PIMS also possessed lickety-split kinetic binding for IHHC, which the equilibrium time was only 10 min. All of these merits were due to the high surface area and the synergistic effect of multiple interactions (including hydrogen bonding, π-π stacking, ion-ion electrostatic interactions and van der Waals interactions, etc.) between PIMS and IHHC in imprinted sites. The present work suggests the potential application of PIMS for large-scale and high-effective separation of IHHC, which may lead to their broad applications in drug/gene deliver, biosensors, catalyst and so on. © 2018 IOP Publishing Ltd.

Adsorption of organic molecules on mineral surfaces studied by first-principle calculations: A review.

PubMed

Zhao, Hongxia; Yang, Yong; Shu, Xin; Wang, Yanwei; Ran, Qianping

2018-04-09

First-principle calculations, especially by the density functional theory (DFT) methods, are becoming a power technique to study molecular structure and properties of organic/inorganic interfaces. This review introduces some recent examples on the study of adsorption models of organic molecules or oligomers on mineral surfaces and interfacial properties obtained from first-principles calculations. The aim of this contribution is to inspire scientists to benefit from first-principle calculations and to apply the similar strategies when studying and tailoring interfacial properties at the atomistic scale, especially for those interested in the design and development of new molecules and new products. Copyright © 2017. Published by Elsevier B.V.

How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments?

PubMed

Terzyk, Artur P; Furmaniak, Sylwester; Harris, Peter J F; Gauden, Piotr A; Włoch, Jerzy; Kowalczyk, Piotr; Rychlicki, Gerhard

2007-11-28

A plausible model for the structure of non-graphitizing carbon is one which consists of curved, fullerene-like fragments grouped together in a random arrangement. Although this model was proposed several years ago, there have been no attempts to calculate the properties of such a structure. Here, we determine the density, pore size distribution and adsorption properties of a model porous carbon constructed from fullerene-like elements. Using the method proposed recently by Bhattacharya and Gubbins (BG), which was tested in this study for ideal and defective carbon slits, the pore size distributions (PSDs) of the initial model and two related carbon models are calculated. The obtained PSD curves show that two structures are micro-mesoporous (with different ratio of micro/mesopores) and the third is strictly microporous. Using the grand canonical Monte Carlo (GCMC) method, adsorption isotherms of Ar (87 K) are simulated for all the structures. Finally PSD curves are calculated using the Horvath-Kawazoe, non-local density functional theory (NLDFT), Nguyen and Do, and Barrett-Joyner-Halenda (BJH) approaches, and compared with those predicted by the BG method. This is the first study in which different methods of calculation of PSDs for carbons from adsorption data can be really verified, since absolute (i.e. true) PSDs are obtained using the BG method. This is also the first study reporting the results of computer simulations of adsorption on fullerene-like carbon models.

[Adsorption of heavy metals on the surface of birnessite relationship with its Mn average oxidation state and adsorption sites].

PubMed

Wang, Yan; Tan, Wen-Feng; Feng, Xiong-Han; Qiu, Guo-Hong; Liu, Fan

2011-10-01

Adsorption characteristics of mineral surface for heavy metal ions are largely determined by the type and amount of surface adsorption sites. However, the effects of substructure variance in manganese oxide on the adsorption sites and adsorption characteristics remain unclear. Adsorption experiments and powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) were combined to examine the adsorption characteristics of Pb2+, Cu2+, Zn2+ and Cd2+ sequestration by birnessites with different Mn average oxidation state (AOS), and the Mn AOS dependent adsorption sites and adsorption characteristics. The results show that the maximum adsorption capacity of Pb2+, Cu2+, Zn2+ and Cd2+ increased with increasing birnessite Mn AOS. The adsorption capacity followed the order of Pb2+ > Cu2+ > Zn2+ > Cd2+. The observations suggest that there exist two sites on the surface of birnessite, i. e., high-binding-energy site (HBE site) and low-binding-energy site (LBE site). With the increase of Mn AOS for birnessites, the amount of HBE sites for heavy metal ions adsorption remarkably increased. On the other hand, variation in the amount of LBE sites was insignificant. The amount of LBE sites is much more than those of HBE sites on the surface of birnessite with low Mn AOS. Nevertheless, both amounts on the surface of birnessite with high Mn AOS are very close to each other. Therefore, the heavy metal ions adsorption capacity on birnessite is largely determined by the amount of HBE sites. On birnessite surface, adsorption of Cu2+, Zn2+, and Cd2+ mostly occurred at HBE sites. In comparison with Zn2+ and Cd2+, more Cu2+ adsorbed on the LBW sites. Pb2+ adsorption maybe occupy at both LBE sites and HBE sites simultaneously.

Study of Adsorption Mechanism of Congo Red on Graphene Oxide/PAMAM Nanocomposite

PubMed Central

Rafi, Mohammad; Samiey, Babak; Cheng, Chil-Hung

2018-01-01

Graphene oxide/poly(amidoamine) (GO/PAMAM) nanocomposite adsorbed high quantities of congo red (CR) anionic dye in 0.1 M NaCl solution, with the maximum adsorption capacity of 198 mg·g−1. The kinetics and thermodynamics of adsorption were investigated to elucidate the effects of pH, temperature, shaking rate, ionic strength, and contact time. Kinetic data were analyzed by the KASRA model and the KASRA, ISO, and pore-diffusion equations. Adsorption adsorption isotherms were studied by the ARIAN model and the Henry, Langmuir, and Temkin equations. It was shown that adsorption sites of GO/PAMAM at experimental conditions were phenolic hydroxyl groups of GO sheets and terminal amine groups of PAMAM dendrimer. Analysis of kinetic data indicated that amine sites were located on the surface, and that hydroxyl sites were placed in the pores of adsorbent. CR molecules interacted with the adsorption sites via hydrogen bonds. The molecules were adsorbed firstly on the amine sites, and then on the internal hydroxyl sites. Adsorption kinetic parameters indicated that the interaction of CR to the –NH3+ sites was the rate-controlling step of adsorption of CR on this site and adsorption activation energies calculated for different parts of this step. On the other hand, kinetic parameters showed that the intraparticle diffusion was the rate-controlling step during the interaction of CR molecules to –OH sites and activation energy of this step was not calculable. Finally, the used GO/PAMAM was completely regenerated by using ethylenediamine. PMID:29587463

Powdered activated carbon adsorption of two fishy odorants in water: Trans,trans-2,4-heptadienal and trans,trans-2,4-decadienal.

PubMed

Li, Xin; Wang, Jun; Zhang, Xiaojian; Chen, Chao

2015-06-01

Powdered activated carbon (PAC) adsorption of two fishy odorants, trans,trans-2,4-heptadienal (HDE) and trans,trans-2,4-decadienal (DDE), was investigated. Both the pseudo first-order and the pseudo second-order kinetic models well described the kinetics curves, and DDE was more readily removed by PAC. In isotherm tests, both Freundlich and Modified Freundlich isotherms fitted the experimental data well. PAC exhibited a higher adsorption capacity for DDE than for HDE, which could be ascribed to the difference in their hydrophobicity. The calculated thermodynamic parameters (ΔG0, ΔH0, and ΔS0) indicated an exothermic and spontaneous adsorption process. PAC dosage, pH, and natural organic matter (NOM) presence were found to influence the adsorption process. With increasing PAC dosage, the pseudo first-order and pseudo second-order rate constants both increased. The value of pH had little influence on HDE or DDE molecules but altered the surface charge of PAC, and the maximum adsorption capacity occurred at pH9. The presence of NOM, especially the fraction with molecular weight less than 1k Dalton, hindered the adsorption. The study showed that preloaded NOM impaired the adsorption capacity of HDE or DDE more severely than simultaneously fed NOM did. Copyright © 2015. Published by Elsevier B.V.

Water adsorption in SAPO-34: elucidating the role of local heterogeneities and defects using dispersion-corrected DFT calculations.

PubMed

Fischer, Michael

2015-10-14

The chabazite-type silicoaluminophosphate SAPO-34 is a promising adsorbent for applications in thermal energy storage using water adsorption-desorption cycles. In order to develop a microscopic understanding of the impact of local heterogeneities and defects on the water adsorption properties, the interaction of different models of SAPO-34 with water was studied using dispersion-corrected density-functional theory (DFT-D) calculations. In addition to SAPO-34 with isolated silicon atoms, the calculations considered models incorporating two types of heterogeneities (silicon islands, aluminosilicate domains), and two defect-containing (partially and fully desilicated) systems. DFT-D optimisations were performed for systems with small amounts of adsorbed water, in which all H2O molecules can interact with framework protons, and systems with large amounts of adsorbed water (30 H2O molecules per unit cell). At low loadings, the host-guest interaction energy calculated for SAPO-34 with isolated Si atoms amounts to approximately -90 kJ mol(-1). While the presence of local heterogeneities leads to the creation of some adsorption sites that are energetically slightly more favourable, the interaction strength is drastically reduced in systems with defects. At high water loadings, energies in the range of -70 kJ mol(-1) are obtained for all models. The DFT-D interaction energies are in good agreement with experimentally measured heats of water adsorption. A detailed analysis of the equilibrium structures was used to gain insights into the binding modes at low coverages, and to assess the extent of framework deprotonation and changes in the coordination environment of aluminium atoms at high water loadings.

Simultaneous removal of potent cyanotoxins from water using magnetophoretic nanoparticle of polypyrrole: adsorption kinetic and isotherm study.

PubMed

Hena, S; Rozi, R; Tabassum, S; Huda, A

2016-08-01

Cyanotoxins, microcystins and cylindrospermopsin, are potent toxins produced by cyanobacteria in potable water supplies. This study investigated the removal of cyanotoxins from aqueous media by magnetophoretic nanoparticle of polypyrrole adsorbent. The adsorption process was pH dependent with maximum adsorption occurring at pH 7 for microcystin-LA, LR, and YR and at pH 9 for microcystin-RR and cylindrospermopsin (CYN). Kinetic studies and adsorption isotherms reflected better fit for pseudo-second-order rate and Langmuir isotherm model, respectively. Thermodynamic calculations showed that the cyanotoxin adsorption process is endothermic and spontaneous in nature. The regenerated adsorbent can be successfully reused without appreciable loss of its original capacity.

Enhancement of methylbenzene adsorption capacity through cetyl trimethyl ammonium bromide-modified activated carbon derived from Astragalus residue

NASA Astrophysics Data System (ADS)

Feng, Ningchuan; Zhang, Yumei; Fan, Wei; Zhu, Meilin

2018-02-01

Activated carbon was prepared from astragalus residue by KOH and then treated with cetyl trimethyl ammonium bromide (CTAB) and used for the removal of methylbenzene from aqueous solution. The samples were characterized by FTIR, XRD, SEM and Boehm titration. The results showed that CTAB changed the physicochemical properties of activated carbon significantly. The isotherm adsorption studies of methylbenzene onto the astragalus residue activated carbon (ASC) and CTAB-modified astragalus residue activated carbon (ASCCTAB) were examined by using batch techniques and agreed well with the Langmuir model. The maximum adsorption capacity of ASC and ASC-CTAB for methylbenzene determined from the Langmuir model was183.56 mg/g and 235.18 mg/g, respectively. The results indicated that using CTAB as a modifier for ASC modification could markedly enhance the methylbenzene removal from water.

Enhanced Defluoridation Capacity From Aqueous Media via Hydroxyapatite Decorated With Carbon Nanotube.

PubMed

Tang, Qingzi; Duan, Tongdan; Li, Peng; Zhang, Ping; Wu, Daishe

2018-01-01

In this work, the potential of a novel hydroxyapatite decorated with carbon nanotube composite (CNT-HAP) for fluoride removal was investigated. The synthesized CNT-HAP composite was systematically characterized by X-ray diffraction(XRD), Fourier Transform infrared spectroscopy(FTIR), scanning electron microscope (SEM) and Brunauer-Emmett-Teller(BET). Batch adsorption experiments were conducted to investigate the defluorination capacity of CNT-HAP. The CNT-HAP composite has a maximum adsorption capacity of 11.05 mg·g -1 for fluoride, and the isothermal adsorption data were fitted by the Freundlich model to calculate the thermodynamic parameters. Thermodynamic analysis implies that the adsorption of fluoride on CNT-HAP is a spontaneous process. Furthermore, the adsorption of fluoride follows pseudo-second-order model. The effects of solution pH, co-existing anions and reaction temperature on defluorination efficiency were examined to optimize the operation conditions for fluoride adsorption. It is found that the optimized pH-value for fluoride removal by CNT-HAP composite is 6. In addition, among five common anions studied in this work, the presence of [Formula: see text] and [Formula: see text] could considerably affect the fluoride removal by CNT-HPA in aqueous media. Finally, the underlying mechanism for the fluoride removal by CNT-HAP is analyzed, and an anion exchange process is proposed.

Enhanced defluoridation capacity from aqueous media via hydroxyapatite decorated with carbon nanotube

NASA Astrophysics Data System (ADS)

Tang, Qingzi; Duan, Tongdan; Li, Peng; Zhang, Ping; Wu, Daishe

2018-04-01

In this work, the potential of a novel carbon nanotube-doped hydroxyapatite composite (CNT-HAP) for fluoride removal was investigated. The synthesized CNT-HAP composite was systematically characterized by X-ray diffraction(XRD), Fourier Transform infrared spectroscopy(FTIR), scanning electron microscope (SEM) and Brunauer–Emmett–Teller(BET). Batch adsorption experiments were conducted to investigate the defluorination capacity of CNT-HAP. The CNT-HAP composite has a maximum adsorption capacity of 11.05 mg·g-1 for fluoride, and the isothermal adsorption data were fitted by the Freundlich model to calculate the thermodynamic parameters. Thermodynamic analysis implies that the adsorption of fluoride on CNT-HAP is a spontaneous process. Furthermore, the adsorption of fluoride follows pseudo-second-order model. The effects of solution pH, co-existing anions and reaction temperature on defluorination efficiency were examined to optimize the operation conditions for fluoride adsorption. It is found that the optimized pH value for fluoride removal by CNT-HAP composite is 6. In addition, among five common anions studied in this work, the presence of HCO3- and PO43- could considerably affect the fluoride removal by CNT-HPA in aqueous media. Finally, the underlying mechanism for the fluoride removal by CNT-HAP is analysed, and an anion exchange process is proposed.

Enhanced Defluoridation Capacity From Aqueous Media via Hydroxyapatite Decorated With Carbon Nanotube

PubMed Central

Tang, Qingzi; Duan, Tongdan; Li, Peng; Zhang, Ping; Wu, Daishe

2018-01-01

In this work, the potential of a novel hydroxyapatite decorated with carbon nanotube composite (CNT-HAP) for fluoride removal was investigated. The synthesized CNT-HAP composite was systematically characterized by X-ray diffraction(XRD), Fourier Transform infrared spectroscopy(FTIR), scanning electron microscope (SEM) and Brunauer–Emmett–Teller(BET). Batch adsorption experiments were conducted to investigate the defluorination capacity of CNT-HAP. The CNT-HAP composite has a maximum adsorption capacity of 11.05 mg·g−1 for fluoride, and the isothermal adsorption data were fitted by the Freundlich model to calculate the thermodynamic parameters. Thermodynamic analysis implies that the adsorption of fluoride on CNT-HAP is a spontaneous process. Furthermore, the adsorption of fluoride follows pseudo-second-order model. The effects of solution pH, co-existing anions and reaction temperature on defluorination efficiency were examined to optimize the operation conditions for fluoride adsorption. It is found that the optimized pH-value for fluoride removal by CNT-HAP composite is 6. In addition, among five common anions studied in this work, the presence of HCO3- and PO43- could considerably affect the fluoride removal by CNT-HPA in aqueous media. Finally, the underlying mechanism for the fluoride removal by CNT-HAP is analyzed, and an anion exchange process is proposed. PMID:29696138

Activated Carbon Preparation and Modification for Adsorption

NASA Astrophysics Data System (ADS)

Cao, Yuhe

Butanol is considered a promising, infrastructure-compatible biofuel. Butanol has a higher energy content than ethanol and can be used in conventional gas engines without modifications. Unfortunately, the fermentation pathway for butanol production is restricted by its toxicity to the microbial strains used in the process. Butanol is toxic to the microbes, and this can slow fermentation rates and reduce butanol yields. Gas stripping technology can efficiently remove butanol from the fermentation broth as it is produced, thereby decreasing its inhibitory effects. Traditional butanol separation heavily depends on the energy intensive distillation method. One of the main issues in acetone-butanol-ethanol fermentation is that butanol concentrations in the fermentation broth are low, ranging from 1 to 1.2 percent in weight, because of its toxicity to the microorganisms. Therefore distillation of butanol is even worse than distillation of corn ethanol. Even new separation methods, such as solid- extraction methods involve adding substances, such as polymer resin and zeolite or activated carbon, to biobutanol fermentatioon broth did not achieve energy efficient separation of butanol due to low adsorption selectivity and fouling in broth. Gas-stripping - condensation is another new butanol recovery method, however, the butanol in gas-stripping stream is too low to be condensed without using expensive and energy intensive liquid nitrogen. Adsorption can then be used to recover butanol from the vapor phase. Activated carbon (AC) samples and zeolite were investigated for their butanol vapor adsorption capacities. Commercial activated carbon was modified via hydrothermal H2O2 treatment, and the specific surface area and oxygen-containing functional groups of activated carbon were tested before and after treatment. Hydrothermal H2O 2 modification increased the surface oxygen content, Brunauer-Emmett-Teller surface area, micropore volume, and total pore volume of active carbon

Diaminoethane adsorption and water substitution on hydrated TiO2: a thermochemical study based on first-principles calculations.

PubMed

Hémeryck, Anne; Motta, Alessandro; Swiatowska, Jolanta; Pereira-Nabais, Catarina; Marcus, Philippe; Costa, Dominique

2013-07-14

Epoxy-amines are used as structural adhesives deposited on Ti. The amine adhesion to a Ti surface depends highly on the surface state (oxidation, hydroxylation). Amines may adsorb above preadsorbed water molecules or substitute them to bind directly to surface Ti(4+) Lewis acid sites. The adsorption of a model amine molecule, diaminoethane (DAE), on a model surface, hydrated TiO2-anatase (101) surface, is investigated using Density Functional Theory including Dispersive forces (DFT-D) calculations. DAE adsorption and water substitution by DAE are exothermic processes and turn nearly isoenergetic at high coverage with adsorption-substitution energies around -0.3 eV (including dispersion forces and ZPE). Complementary ab initio molecular dynamics studies also suggest that the formation of an amine-water interaction induces water desorption from the surface at room temperature, a preliminary step towards the amine-Ti bond formation. An atomistic thermodynamic approach is developed to evaluate the interfacial free energy balance of both processes (adsorption and substitution). The main contributions to the energetic balance are dispersive interactions between molecules and the surface on the exergonic side, translational and rotational entropic contributions on the endergonic one. The substitution process is stabilized by 0.55 eV versus the adsorption one when free solvation, rotational and vibrational energies are considered. The main contribution to this free energy gain is due to water solvation. The calculations suggest that in toluene solvent with a water concentration of 10(-4) M or less, a full DAE layer replaces a preadsorbed water layer for a threshold concentration of DAE ≥ 0.1 M.

H{sub 2} adsorption in Li-decorated porous graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seenithurai, S.; Pandyan, R. Kodi; Kumar, S. Vinodh

Porous graphene (PG) has been decorated with Li atoms and subsequently studied the hydrogen (H{sub 2}) adsorption characteristics, by using Density Functional Theory (DFT)-based calculations. A 2×2 PG has been decorated with eight Li atoms. Upto four H{sub 2} molecules get adsorbed on each Li atom. The maximum H{sub 2} storage capacity that could be achieved in 2×2PG-8Li is 8.95 wt% which is higher than the U.S. DOE’s revised target for the on-board vehicles. The average H{sub 2} adsorption binding energy is 0.535 eV/H{sub 2}, which lies between 0.2-0.6 eV/H{sub 2} that is required for achieving adsorption and desorption atmore » near ambient conditions. Thus, Li-decorated PG could be a viable option for on-board automobile applications.« less

Structure and adsorption properties of a porous cooper hexacyanoferrate polymorph

NASA Astrophysics Data System (ADS)

Roque-Malherbe, R.; Carballo, E.; Polanco, R.; Lugo, F.; Lozano, C.

2015-11-01

The key questions addressed here were: the structure elucidation and the investigation of the adsorption space and framework expansion effect of a Cu(II) hexacyanoferrate (III) polymorph (labeled Cu-PBA-I). The structural analysis was performed with a broad set of characterization methods. Additionally, a low and high pressure carbon dioxide adsorption investigation was performed, assuming, to comprehend the adsorption experiments, that the adsorbent plus the adsorbed phase were a solid solution. We concluded: that the Cu-PBA-I presented the following composition, K1/4 Cu (II)[ Fe (III)(CN)6 ] 3 / 4⋄1/4 nH2 O , exhibited an antiferromagnetic behavior and displayed a thermally stable I 4 bar m 2 space group lattice in the degassed state. Moreover, the low pressure adsorption study allowed the calculation of the micropore volume, W=0.09 cm3/g and the isosteric heat of adsorption, qiso=19 kJ/mol; further, the high pressure adsorption data revealed an extremely high adsorption capacity owing to a framework expansion effect. Finally, the DRIFTS spectrum of adsorbed CO2 displayed peaks corresponding to carbon dioxide physically adsorbed and interacting with electron accepting Lewis acid sites. Hence, was produced an excellent adsorbent which combine porosity and anti-ferromagnetism, antagonist properties rarely found together.

Heavy metal adsorption changes of EAF steel slag after phosphorus adsorption.

PubMed

Song, Guanling; Cao, Lijing; Chen, Xiao; Hou, Wenhua; Wang, Qunhui

2012-01-01

A kind of electric arc furnace (EAF) steel slag was phosphated, and its isothermal and dynamic adsorptions of copper, cadmium, and lead ions were measured to determine if heavy metal adsorption changes after phosphorus adsorption. The surface area increased greatly after the slag was phosphated. Isothermal adsorption experiments showed that the theoretical Q(max) of the EAF steel slag on Cu(2+), Cd(2+), and Pb(2+) improved 59, 50, and 89% respectively after it was phosphated. Dynamic adsorption results showed that the greatest adsorption capacities of unit volume of Cu(2+), Cd(2+), and Pb(2+) were 2.2, 1.8, and 1.8 times that of the column packed with original EAF steel slag when the column was packed with phosphate EAF steel slag at the same heavy metal ion concentration. The breakthrough time, the exhaustion time and elution efficiency of the column also increased when the column was packed with phosphated EAF steel slag compared with that packed with original EAF steel slag. Phosphorus adsorption could further improve the heavy metal ion adsorption of the EAF steel slag.

Adsorption of selected volatile organic vapors on multiwall carbon nanotubes.

PubMed

Shih, Yang-hsin; Li, Mei-syue

2008-06-15

Carbon nanotubes are expected to play an important role in sensing, pollution treatment and separation techniques. This study examines the adsorption behaviors of volatile organic compounds (VOCs), n-hexane, benzene, trichloroethylene and acetone on two multiwall carbon nanotubes (MWCNTs), CNT1 and CNT2. Among these VOCs, acetone exhibits the highest adsorption capacity. The highest adsorption enthalpies and desorption energies of acetone were also observed. The strong chemical interactions between acetone and both MWCNTs may be the result from chemisorption on the topological defects. The adsorption heats of trichloroethylene, benzene, and n-hexane are indicative of physisorption on the surfaces of both MWCNTs. CNT2 presents a higher adsorption capacity than CNT1 due to the existence of an exterior amorphous carbon layer on CNT2. The amorphous carbon enhances the adsorption capacity of organic chemicals on carbon nanotubes. The morphological and structure order of carbon nanotubes are the primary affects on the adsorption process of organic chemicals.

Evaluation of adsorption capacities of humic acids extracted from Algerian soil on polyaniline for application to remove pollutants such as Cd(II), Zn(II) and Ni(II) and characterization with cavity microelectrode.

PubMed

Terbouche, Achour; Ramdane-Terbouche, Chafia Ait; Hauchard, Didier; Djebbar, Safia

2011-01-01

The adsorption capacities of new humic acids isolated from Yakouren forest (YHA) and Sahara (Tamenrasset: THA) soils (Algeria) and commercial humic acid (PFHA) on polyaniline emeraldine base (PEB) were studied at pH 6.6. Also the adsorption of heavy metals such as Cd2+, Zn2+ and Ni2+ on humic acid-polyaniline systems (HA-PEB) was investigated at the same conditions. HA-PEB compounds were characterized by scanning electron microscopy (SEM), infrared spectrometry and cavity microelectrode. In addition, batch adsorption and cavity microelectrode were used in the adsorption study of Cd2+, Zn2+ and Ni2+ on HA-PEB. To develop biocaptors of polluting metals using a cavity microelectrode modified by HA-PEB systems, the adsorption kinetic and adsorption capacity were investigated. The SEM analysis showed that the presence of humic acid affected the PEB surface and caused the formation of a granular morphology. The maximum adsorption capacities (q(max)) of PFHA, THA and YHA determined by adsorption isotherms were 91.31, 132.1 and 151.0 mg/g, respectively. Batch adsorption results showed that q(max) of Cd2+, Zn2+ and Ni2+ on HA-PEB followed the order: THA-PEB > YHA-PEB > PFHA-PEB. The voltammograms obtained with HA-PEB modified cavity microelectrode showed the appearance of new redox couples reflecting the adsorption of HA on PEB. Metal-humic acid-polyaniline voltammograms were characterized by appearance of oxidation-reduction couples or reduction wave corresponding to metal. Finally, the result may be exploited to develop a biocaptor based on the cavity microelectrode amended by THA-PEB and YHA-PEB.

Adsorption Energies of Carbon, Nitrogen, and Oxygen Atoms on the Low-temperature Amorphous Water Ice: A Systematic Estimation from Quantum Chemistry Calculations

NASA Astrophysics Data System (ADS)

Shimonishi, Takashi; Nakatani, Naoki; Furuya, Kenji; Hama, Tetsuya

2018-03-01

We propose a new simple computational model to estimate the adsorption energies of atoms and molecules to low-temperature amorphous water ice, and we present the adsorption energies of carbon (3 P), nitrogen (4 S), and oxygen (3 P) atoms based on quantum chemistry calculations. The adsorption energies were estimated to be 14,100 ± 420 K for carbon, 400 ± 30 K for nitrogen, and 1440 ± 160 K for oxygen. The adsorption energy of oxygen is consistent with experimentally reported values. We found that the binding of a nitrogen atom is purely physisorption, while that of a carbon atom is chemisorption, in which a chemical bond to an O atom of a water molecule is formed. That of an oxygen atom has a dual character, with both physisorption and chemisorption. The chemisorption of atomic carbon also implies the possibility of further chemical reactions to produce molecules bearing a C–O bond, though this may hinder the formation of methane on water ice via sequential hydrogenation of carbon atoms. These properties would have a large impact on the chemical evolution of carbon species in interstellar environments. We also investigated the effects of newly calculated adsorption energies on the chemical compositions of cold dense molecular clouds with the aid of gas-ice astrochemical simulations. We found that abundances of major nitrogen-bearing molecules, such as N2 and NH3, are significantly altered by applying the calculated adsorption energy, because nitrogen atoms can thermally diffuse on surfaces, even at 10 K.

Pore size dependent molecular adsorption of cationic dye in biomass derived hierarchically porous carbon.

PubMed

Chen, Long; Ji, Tuo; Mu, Liwen; Shi, Yijun; Wang, Huaiyuan; Zhu, Jiahua

2017-07-01

Hierarchically porous carbon adsorbents were successfully fabricated from different biomass resources (softwood, hardwood, bamboo and cotton) by a facile two-step process, i.e. carbonization in nitrogen and thermal oxidation in air. Without involving any toxic/corrosive chemicals, large surface area of up to 890 m 2 /g was achieved, which is comparable to commercial activated carbon. The porous carbons with various surface area and pore size were used as adsorbents to investigate the pore size dependent adsorption phenomenon. Based on the density functional theory, effective (E-SSA) and ineffective surface area (InE-SSA) was calculated considering the geometry of used probing adsorbate. It was demonstrated that the adsorption capacity strongly depends on E-SSA instead of total surface area. Moreover, a regression model was developed to quantify the adsorption capacities contributed from E-SSA and InE-SSA, respectively. The applicability of this model has been verified by satisfactory prediction results on porous carbons prepared in this work as well as commercial activated carbon. Revealing the pore size dependent adsorption behavior in these biomass derived porous carbon adsorbents will help to design more effective materials (either from biomass or other carbon resources) targeting to specific adsorption applications. Copyright © 2017 Elsevier Ltd. All rights reserved.

Adsorptive removal of Cr3+ from aqueous solutions using chitosan microfibers immobilized with plant polyphenols as biosorbents with high capacity and selectivity

NASA Astrophysics Data System (ADS)

Zhang, Ting; Wang, Yujia; Kuang, Yiwen; Yang, Ruilin; Ma, Jun; Zhao, Shilin; Liao, Yang; Mao, Hui

2017-05-01

A novel biosorbent was facilely prepared by immobilizing bayberry tannin (BT, a typical natural polyphenols) onto chitosan microfiber (CM). The as-prepared CM-BT adsorbent featured to a well-defined microfibrous morphology and highly distributed adsorption sites, which was highly efficient and selective for the adsorptive removal of Cr3+ from aqueous solutions. Based on batch experiments, the adsorption of Cr3+ on CM-BT was pH-dependent, and the optimized adsorption pH was determined to be 5.5. The adsorption capacity of CM-BT to Cr3+ was high up to 20.90 mg/g. The co-existing cations, such as Mg2+, Ca2+, Fe3+ and Cu2+, exhibited no significant influences on the adsorption of Cr3+ on CM-BT. The adsorption kinetics were well fitted by the pseudo-second-order rate model (R2 > 0.99) while the adsorption isotherms were well described by the Langmuir model (R2 > 0.98). Importantly, CM-BT was effective for the continues treatment of low concentration Cr3+ (2.0 mg/L) contaminated wastewater. Before reached the breakthrough point (5% of the initial Cr3+ concentration, 0.1 mg/L), the treated volume was as high as 894 bed volume, manifesting the great potential of CM-BT in practical treatment of Cr3+ contaminated wastewater.

Kinetic and thermodynamic studies on the adsorption of anionic surfactant on quaternary ammonium cationic cellulose.

PubMed

Zhang, Yuanzhang; Shi, Wenjian; Zhou, Hualan; Fu, Xing; Chen, Xuan

2010-06-01

Removal of anionic surfactants from aqueous solutions by adsorption onto quaternary ammonium cationic cellulose (QACC) was investigated. The effects of solution acidity, initial concentration, adsorption time, and temperature on the adsorption of sodium dodecyl-benzene sulfonate (SDBS), sodium lauryl sulfate (SLS), and sodium dodecyl sulfonate (SDS) were studied. The kinetic experimental data fit well with the pseudo-second-order model; the rate constant of the adsorption increased with temperature. The values of apparent activation energy for the adsorption were calculated as ranging from 10.2 to 17.4 kJ/ mol. The adsorption isotherm can be described by the Langmuir isotherm. The values of thermodynamic parameters (deltaH0, deltaS0, and deltaG0) for the adsorption indicated that this process was spontaneous and endothermic. At 318 K, the saturated adsorption capacities of QACC for SDBS, SLS, and SDS were 1.75, 1.53, and 1.39 mmol/g, respectively. The adsorption process was mainly chemisorption and partially physisorption. The results show that QACC is effective for the removal of anionic surfactants.

Hydrogen adsorption strength and sites in the metal organic framework MOF5: Comparing experiment and model calculations

NASA Astrophysics Data System (ADS)

Mulder, F. M.; Dingemans, T. J.; Schimmel, H. G.; Ramirez-Cuesta, A. J.; Kearley, G. J.

2008-07-01

Hydrogen adsorption in porous, high surface area, and stable metal organic frameworks (MOF's) appears a novel route towards hydrogen storage materials [N.L. Rosi, J. Eckert, M. Eddaoudi, D.T. Vodak, J. Kim, M. O'Keeffe, O.M. Yaghi, Science 300 (2003) 1127; J.L.C. Rowsell, A.R. Millward, K. Sung Park, O.M. Yaghi, J. Am. Chem. Soc. 126 (2004) 5666; G. Ferey, M. Latroche, C. Serre, F. Millange, T. Loiseau, A. Percheron-Guegan, Chem. Commun. (2003) 2976; T. Loiseau, C. Serre, C. Huguenard, G. Fink, F. Taulelle, M. Henry, T. Bataille, G. Férey, Chem. Eur. J. 10 (2004) 1373]. A prerequisite for such materials is sufficient adsorption interaction strength for hydrogen adsorbed on the adsorption sites of the material because this facilitates successful operation under moderate temperature and pressure conditions. Here we report detailed information on the geometry of the hydrogen adsorption sites, based on the analysis of inelastic neutron spectroscopy (INS). The adsorption energies for the metal organic framework MOF5 equal about 800 K for part of the different sites, which is significantly higher than for nanoporous carbon materials (˜550 K) [H.G. Schimmel, G.J. Kearley, M.G. Nijkamp, C.T. Visser, K.P. de Jong, F.M. Mulder, Chem. Eur. J. 9 (2003) 4764], and is in agreement with what is found in first principles calculations [T. Sagara, J. Klassen, E. Ganz, J. Chem. Phys. 121 (2004) 12543; F.M. Mulder, T.J. Dingemans, M. Wagemaker, G.J. Kearley, Chem. Phys. 317 (2005) 113]. Assignments of the INS spectra is realized using comparison with independently published model calculations [F.M. Mulder, T.J. Dingemans, M. Wagemaker, G.J. Kearley, Chem. Phys. 317 (2005) 113] and structural data [T. Yildirim, M.R. Hartman, Phys. Rev. Lett. 95 (2005) 215504].

Adsorption properties of biomass-based activated carbon prepared with spent coffee grounds and pomelo skin by phosphoric acid activation

NASA Astrophysics Data System (ADS)

Ma, Xiaodong; Ouyang, Feng

2013-03-01

Activated carbon prepared from spent coffee grounds and pomelo skin by phosphoric acid activation had been employed as the adsorbent for ethylene and n-butane at room temperature. Prepared activated carbon was characterized by means of nitrogen adsorption-desorption, X-ray powder diffraction, scanning electron microscope and Fourier transform infrared spectroscope. It was confirmed that pore structure played an important role during the adsorption testes. Adsorption isotherms of ethylene and n-butane fitted well with Langmuir equation. The prepared samples owned better adsorption capacity for n-butane than commercial activated carbon. Isosteric heats of adsorptions at different coverage were calculated through Clausius-Clapeyron equation. Micropore filling effect was explained in a thermodynamic way.

Thermodynamical and structural insights of orange II adsorption by Mg{sub R}AlNO{sub 3} layered double hydroxides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mustapha Bouhent, Mohamed; Laboratoire des Materiaux Inorganiques, UMR CNRS 6002, Universite Blaise Pascal, F-63177 Aubiere Cedex; Derriche, Zoubir, E-mail: derriche_zoubir@yahoo.co

2011-05-15

[Mg{sub 1-x} Al{sub x}(OH){sub 2}][(NO{sub 3}){sub x}, nH{sub 2}O] Layered Double Hydroxide (LDH) sorbents with variable Mg/Al molar (R=(1-x)/x) ratios were investigated for adsorption of azo dye, orange II (OII) at various pH and temperature conditions. Mg{sub 2}AlNO{sub 3} displays the highest adsorption capacity with 3.611 mmol of OII per gram of Mg{sub 2}AlNO{sub 3} at 40 {sup o}C. Adsorption isotherms have been fitted using the Langmuir model and free energy of adsorption ({Delta}G{sup o}), enthalpy ({Delta}H{sup o}) and entropy ({Delta}S{sup o}) were calculated. The experimental values for {Delta}G{sup o} in temperature range between 10 and 40 {sup o}C weremore » found to be negative indicating that a spontaneous process occurred. Positive calculated enthalpy values, characteristic of an endothermic process were found. Characterization of solids (PXRD, FTIR, UV-vis, TGA/DTA, adsorption isotherm BET analysis, SEM and Zetametry) before and after adsorption showed that adsorption proceeds in two steps. First, adsorption occurs at the LDH surface, followed by intercalation via anion exchange. -- Graphical Abstract: Structural and thermodynamical insight of adsorption/Intercalation of OII in Mg{sub R}Al LDH Display Omitted Highlights: {yields} The nitrate containing hydrotalcite-like compounds (Mg{sub R}AlNO{sub 3} LDH) were prepared by the coprecipitation method. {yields} Adsorption of anionic orange dye(OII) is studied on LDHs at different temperatures. {yields} The adsorption process is well described by the Langmuir isotherm model. {yields} Mg{sub 2}AlNO{sub 3} displays the highest adsorption capacity with 3.611 mmol of OII per gram of Mg{sub 2}AlNO{sub 3} at 40 {sup o}C. {yields} Adsorption process does not occur on the surface of the LDH only but an intercalation process is also occurring concomitantly according to the thermodynamical values.« less

Eco-friendly polyvinyl alcohol/carboxymethyl cellulose hydrogels reinforced with graphene oxide and bentonite for enhanced adsorption of methylene blue.

PubMed

Dai, Hongjie; Huang, Yue; Huang, Huihua

2018-04-01

Eco-friendly polyvinyl alcohol/carboxymethyl cellulose (isolated from pineapple peel) hydrogels reinforced with graphene oxide and bentonite were prepared as efficient adsorbents for methylene blue (MB). The structure and morphology of the prepared hydrogels were characterized by Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM), X-ray diffraction (XRD), thermogravimetry (TG) and differential scanning calorimetry (DSC). Introducing graphene oxide and bentonite into the hydrogels evidently enhanced the thermal stability, swelling ability and MB adsorption capacity. The effects of initial concentration of MB, pH, contact time and temperature on MB adsorption capacity of the prepared hydrogels were investigated. Adsorption kinetics and equilibrium adsorption isotherm fitted pseudo-second-order kinetic model and Langmuir isotherm model well, respectively. After introducing graphene oxide and bentonite into the hydrogels, the maximum adsorption capacity calculated from the Langmuir isotherm model reached 172.14 mg/g at 30 °C, obviously higher than the hydrogels prepared without these additions (83.33 mg/g). Furthermore, all the prepared hydrogels also displayed good reusability for the efficient removal of MB. Consequently, the prepared hydrogels could be served as eco-friendly, stable, efficient and reusable adsorbents for anionic dyes in wastewater treatment. Copyright © 2017 Elsevier Ltd. All rights reserved.

Preparation of methacrylic acid-modified rice husk improved by an experimental design and application for paraquat adsorption.

PubMed

Hsu, Shih-Tong; Chen, Lung-Chuan; Lee, Cheng-Chieh; Pan, Ting-Chung; You, Bing-Xuan; Yan, Qi-Feng

2009-11-15

Methacrylic acid (MAA) grafted rice husk was synthesized using graft copolymerization with Fenton's reagent as the redox initiator and applied to the adsorption of paraquat. The highest grafting percentage of 44.3% was obtained using the traditional kinetic method. However, a maximum grafting percentage of 65.3% was calculated using the central composite design. Experimental results based on the recipes predicted from the statistical analysis are consistent with theoretical calculations. A representative polymethacrylic acid-g-rice husk (PMAA-g-rice husk) copolymer was hydrolyzed to a salt type and applied to the adsorption of paraquat. The adsorption equilibrium data correlate more closely with the Langmuir isotherm than with the Freundlich equation. The maximum adsorption capacity of modified rice husk is 292.5mg/g-adsorbent. This value exceeds those for Fuller's earth and activated carbon, which are the most common binding agents used for paraquat. The samples at various stages were characterized by solid-state (13)C NMR spectroscopy.

A fundamental study of the impact of pressure on the adsorption mechanism in reversed-phase liquid chromatography.

PubMed

Åsberg, Dennis; Samuelsson, Jörgen; Fornstedt, Torgny

2016-07-29

A fundamental investigation of the pressure effect on individual adsorption sites was undertaken based on adsorption energy distribution and adsorption isotherm measurements. For this purpose, we measured adsorption equilibrium data at pressures ranging from 100 to 1000bar at constant flow and over a wide concentration range for three low-molecular-weight solutes, antipyrine, sodium 2-naphthalenesulfonate, and benzyltriethylammonium chloride, on an Eternity C18 stationary phase. The adsorption energy distribution was bimodal for all solutes, remaining clearly so at all pressures. The bi-Langmuir model best described the adsorption in these systems and two types of adsorption sites were identified, one with a low and another with a high energy of interaction. Evidence exists that the low-energy interactions occur at the interface between the mobile and stationary phases and that the high-energy interactions occur nearer the silica surface, deeper in the C18 layer. The contribution of each type of adsorption site to the retention factor was calculated and the change in solute molar volume from the mobile to stationary phase during the adsorption process was estimated for each type of site. The change in solute molar volume was 2-4 times larger at the high-energy site, likely because of the greater loss of solute solvation layer when penetrating deeper into the C18 layer. The association equilibrium constant increased with increasing pressure while the saturation capacity of the low-energy site remained almost unchanged. The observed increase in saturation capacity for the high-energy site did not affect the column loading capacity, which was almost identical at 50- and 950-bar pressure drops over the column. Copyright © 2016 Elsevier B.V. All rights reserved.

Paraquat adsorption on NaX and Al-MCM-41.

PubMed

Rongchapo, Wina; Deekamwong, Krittanun; Loiha, Sirinuch; Prayoonpokarach, Sanchai; Wittayakun, Jatuporn

2015-01-01

The aim of this work is to determine paraquat adsorption capacity of zeolite NaX and Al-MCM-41. All adsorbents were synthesized by hydrothermal method using rice husk silica. For Al-MCM-41, aluminum (Al) was added to the synthesis gel of MCM-41 with Al content of 10, 15, 20 and 25 wt%. The faujasite framework type of NaX and mesoporous characteristic of Al-MCM-41 were confirmed by X-ray diffraction. Surface area of all adsorbents determined by N2 adsorption-desorption analysis was higher than 650 m2/g. Al content and geometry were determined by X-ray fluorescence and 27Al nuclear magnetic resonance, respectively. Morphology of Al-MCM-41 were studied by transmission electron microscopy; macropores and defects were observed. The paraquat adsorption experiments were conducted using a concentration range of 80-720 mg/L for NaX and 80-560 mg/L for Al-MCM-41. The paraquat adsorption isotherms from all adsorbents fit well with the Langmuir model. The adsorption capacity of NaX was 120 mg/g-adsorbent. Regarding Al-MCM-41, the 10% Al-MCM-41 exhibited the lowest capacity of 52 mg/g-adsorbent while the other samples had adsorption capacity of 66 mg/g-adsorbent.

Effect of hydrophobicity of pharmaceuticals and personal care products for adsorption on activated carbon: Adsorption isotherms, kinetics and mechanism.

PubMed

Kaur, Harkirat; Bansiwal, Amit; Hippargi, Girivyankatesh; Pophali, Girish R

2017-09-11

Adsorption of three pharmaceuticals and personal care products (PPCPs), namely caffeine, ibuprofen and triclosan on commercial powdered activated carbon was examined in aqueous medium. The contaminants were chosen based on their diverse log K ow (octanol-water partition coefficient) viz. - 0.07 for caffeine, 3.97 for ibuprofen and 4.76 for triclosan to examine the role of hydrophobicity on adsorption process. The adsorbent characterisation was achieved using BET surface area, SEM, pore size distribution studies and FTIR. Influence of mass of PAC, contact time, solution pH and initial concentration on adsorption capacity of PAC was studied. Adsorption isotherms and kinetics were applied to establish the mechanism of adsorption. The kinetics followed pseudo-second order with physisorption occurring through particle diffusion. The Freundlich model fitted best among the isotherm models. The adsorption capacity increased in the order CFN < IBU < TCS which correlates with increasing hydrophobicity (log K ow ), molecular weight and decreasing water solubility, respectively. We conclude that micro-pollutant hydrophobicity contributes towards adsorption on activated carbon.

Copper(II) adsorption on the kaolinite(001) surface: Insights from first-principles calculations and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Kong, Xiang-Ping; Wang, Juan

2016-12-01

The adsorption behavior of Cu(II) on the basal hydroxylated kaolinite(001) surface in aqueous environment was investigated by first-principles calculations and molecular dynamics simulations. Structures of possible monodentate and bidentate inner-sphere adsorption complexes of Cu(II) were examined, and the charge transfer and bonding mechanism were analyzed. Combining the binding energy of complex, the radial distribution function of Cu(II) with oxygen and the extended X-ray absorption fine structure data, monodentate complex on site of surface oxygen with ;upright; hydrogen and bidentate complex on site of two oxygens (one with ;upright; hydrogen and one with ;lying; hydrogen) of single Al center have been found to be the major adsorption species of Cu(II). Both adsorption species are four-coordinated with a square planar geometry. The distribution of surface hydroxyls with ;lying; hydrogen around Cu(II) plays a key role in the structure and stability of adsorption complex. Upon the Mulliken population analysis and partial density of states, charge transfer occurs with Cu(II) accepting some electrons from both surface oxygens and aqua oxygens, and the bonding Cu 3d-O 2p state filling is primarily responsible for the strong covalent interaction of Cu(II) with surface oxygen.

Pentaethylenehexamine-Loaded Hierarchically Porous Silica for CO2 Adsorption

PubMed Central

Ji, Changchun; Huang, Xin; Li, Lei; Xiao, Fukui; Zhao, Ning; Wei, Wei

2016-01-01

Recently, amine-functionalized materials as a prospective chemical sorbent for post combustion CO2 capture have gained great interest. However, the amine grafting for the traditional MCM-41, SBA-15, pore-expanded MCM-41 or SBA-15 supports can cause the pore volume and specific surface area of sorbents to decrease, significantly affecting the CO2 adsorption-desorption dynamics. To overcome this issue, hierarchical porous silica with interparticle macropores and long-range ordering mesopores was prepared and impregnated with pentaethylenehexamine. The pore structure and amino functional group content of the modified silicas were analyzed by scanning electron microscope, transmission electron microscope, N2 adsorption, X-ray powder diffraction, and Fourier transform infrared spectra. Moreover, the effects of the pore structure as well as the amount of PEHA loading of the samples on the CO2 adsorption capacity were investigated in a fixed-bed adsorption system. The CO2 adsorption capacity reached 4.5 mmol CO2/(g of adsorbent) for HPS−PEHA-70 at 75 °C. Further, the adsorption capacity for HPS-PEHA-70 was steady after a total of 15 adsorption-desorption cycles. PMID:28773956

Factors influencing antibiotics adsorption onto engineered adsorbents.

PubMed

Xia, Mingfang; Li, Aimin; Zhu, Zhaolian; Zhou, Qin; Yang, Weiben

2013-07-01

The study evaluated the adsorption of two antibiotics by four engineered adsorbents (hypercrosslinked resin MN-202, macroporous resin XAD-4, activated carbon F-400, and multi-walled carbon nanotubes (MWCNT)) from aqueous solutions. The dynamic results demonstrated the dominant influence of pore size in adsorption. The adsorption amounts of antibiotics on XAD-4 were attributed to the hydrophobic effect, whereas steric hindrance or micropore-filling played a main role in the adsorption of antibiotics by F-400 because of its high microporosity. Aside from F-400, similar patterns of pH-dependent adsorption were observed, implying the importance of antibiotic molecular forms to the adsorption process for adsorbents. Increasing the ionic concentration with CaC12 produced particular adsorption characteristics on MWCNT at pH 2.0 and F-400 at pH 8.0, which were attributed to the highly available contact surfaces and molecular sieving, respectively. Its hybrid characteristics incorporating a considerable portion of mesopores and micropores made hypercross linked MN-202 a superior antibiotic adsorbent with high adsorption capacity. Furthermore, the adsorption capacity of MWCNT on the basis of surface area was more advantageous than that of the other adsorbents because MWCNT has a much more compact molecular arrangement.

Incorporating water-release and lateral protein interactions in modeling equilibrium adsorption for ion-exchange chromatography.

PubMed

Thrash, Marvin E; Pinto, Neville G

2006-09-08

The equilibrium adsorption of two albumin proteins on a commercial ion exchanger has been studied using a colloidal model. The model accounts for electrostatic and van der Waals forces between proteins and the ion exchanger surface, the energy of interaction between adsorbed proteins, and the contribution of entropy from water-release accompanying protein adsorption. Protein-surface interactions were calculated using methods previously reported in the literature. Lateral interactions between adsorbed proteins were experimentally measured with microcalorimetry. Water-release was estimated by applying the preferential interaction approach to chromatographic retention data. The adsorption of ovalbumin and bovine serum albumin on an anion exchanger at solution pH>pI of protein was measured. The experimental isotherms have been modeled from the linear region to saturation, and the influence of three modulating alkali chlorides on capacity has been evaluated. The heat of adsorption is endothermic for all cases studied, despite the fact that the net charge on the protein is opposite that of the adsorbing surface. Strong repulsive forces between adsorbed proteins underlie the endothermic heat of adsorption, and these forces intensify with protein loading. It was found that the driving force for adsorption is the entropy increase due to the release of water from the protein and adsorbent surfaces. It is shown that the colloidal model predicts protein adsorption capacity in both the linear and non-linear isotherm regions, and can account for the effects of modulating salt.

Adsorption of Copper Ion using Acrylic Acid-g-Polyaniline in Aqueous Solution

NASA Astrophysics Data System (ADS)

Kamarudin, Sabariah; Mohammad, Masita

2018-04-01

A conductive polymer, polyaniline (PANI) has unique electrical behaviour, stable in the environment, easy synthesis and have wide application in various fields. Modification of PANI in order to improve its adsorption capacity has been done. In this study, the polyaniline-grafted acrylic acid has been prepared and followed by adsorption of copper ion in aqueous solution. Acrylic acid, PANI and acrylic acid-g-polyaniline (Aag-PANI) were characterized by FTIR and SEM to determine its characteristic. The adsorption capacity was investigated to study the removal capacity of Cu ion from aqueous solution. Two parameters were selected which are pH (2, 4 and 6) and initial metal ion concentration (50 mg/L, 100 mg/L and 200 mg/L). The maximum adsorption capacity for PANI and Aag-PANI are 1.7 mg/g and 64.6 mg/g, respectively, at an initial concentration of 100 mg/L. The Langmuir adsorption isotherm model and Freundlich adsorption isotherm model have been used and showed that it is heterolayer adsorption by follows the Freundlich isotherm model.

Fabrication of cellulose nanocrystal from Carex meyeriana Kunth and its application in the adsorption of methylene blue.

PubMed

Yang, Xue; Liu, Hui; Han, Fuyi; Jiang, Shuai; Liu, Lifang; Xia, Zhaopeng

2017-11-01

Cellulose nanocrystal (CNC) was extracted from Carex meyeriana Kunth (CMK) by a combination of TEMPO oxidation and mechanical homogenization method, and used to remove methylene blue (MB) from aqueous solution. After alkali-oxygen treatment, the aqueous biphasic system (polyethylene glycol/inorganic salt) was applied to further remove lignin from CMK. The characteriazation of CNC, and the effects of H 2 O 2 dosage, CNC dosage, adsorption time, and initial MB concentration on the MB removal capacity of CNC were investigated. The results showed that the removal percentage of MB by CNC was raised with the increase of H 2 O 2 and CNC dosage. The adsorption kinetics of prepared CNC followed the pseudo-second-order model, and the adsorption isotherms fitted well to the Langmuir model with a calculated maximum adsoption capacity of 217.4mg/g, which was higher than those of CNC extracted by acid hydrolysis method, indicating CNC extracted from CMK had promising potentials in the field of MB adsorption. Copyright © 2017 Elsevier Ltd. All rights reserved.

Carbon dots decorated magnetic ZnFe2O4 nanoparticles with enhanced adsorption capacity for the removal of dye from aqueous solution

NASA Astrophysics Data System (ADS)

Shi, Weilong; Guo, Feng; Wang, Huibo; Liu, Changan; Fu, Yijun; Yuan, Songliu; Huang, Hui; Liu, Yang; Kang, Zhenhui

2018-03-01

Widely used synthetic dyes have been caused serious environmental pollution. Therefore, it is imperative to acquire highly efficient adsorbent to remove them. Here, we report the carbon dots/ZnFe2O4 (CDs/ZFO) composites were prepared through a facile hydrothermal route for absorption removal of dye from aqueous solution. The characterizations reveal the CDs were uniformly deposited on the surfaces of ZFO nanoparticles in the composite. The CDs/ZFO composites as adsorbents exhibit enhanced adsorption behavior for methyl orange (MO) in comparison of pristine ZFO, in which the 5% CDs/ZFO (with the CDs mass content of 5 wt%) shows the highest absorption activity. Experimental studies on adsorption isotherms of MO over the 5% CDs/ZFO composite indicate that experimental data were found to follow Langmuir model with a monolayer adsorption capacity of 181.2 mg g-1. The corresponding adsorption kinetics was fitted well with the pseudo-second-order kinetic model. Moreover, thermodynamics parameters including ΔG°, ΔH° and ΔS° were tested, demonstrating that the adsorption of MO over CDs/ZFO composite was spontaneous and exothermic in nature. The remarkably increased adsorption performance of CDs/ZFO composites can be attributed to abundant oxygen-containing groups on the surface of CDs.

Adsorption Characteristics of Pb(2+) onto Wine Lees-Derived Biochar.

PubMed

Zhu, Qihong; Wu, Jun; Wang, Lilin; Yang, Gang; Zhang, Xiaohong

2016-08-01

Biochar has great advantages in soil amendment and polluted soil remediation. Herein, the pore and adsorption properties of wine lees-derived biochar were explored. Specifically, the adsorption isotherm and kinetics of Pb(2+) onto wine lees-derived biochar were examined. Experimental results revealed that wine lees-derived biochar featured large specific surface area and total pore volume, and high contents of -COOH and -OH on its surface. Adsorption of Pb(2+) onto wine lees-derived biochar proceeded via a multilayer adsorption mechanism, as described by the Freundlich adsorption model. Adsorption kinetics followed the Lagergren pseudo-second-order kinetics model; adsorption equilibrium was achieved within 30-60 min. Furthermore, the effect of solution pH on the adsorption of Pb(2+) was investigated. Within the studied pH range of 3-6, the adsorption capacity increased with increasing pH. Under established optimized conditions, wine lees-derived biochar achieved a Pb(2+) adsorption capacity of 79.12 mg/g.

Adsorption of crude and engine oils from water using raw rice husk.

PubMed

Razavi, Zahra; Mirghaffari, Nourollah; Rezaei, Behzad

2014-01-01

The raw rice husk (RRH) was used as a low cost adsorbent to remove three oil compounds with different viscosities (crude oil, engine oil and spent engine oil) from an aqueous environment. Some of the sorbent specifications were characterized using a CHNSO analyzer, Fourier transform infrared, scanning electron microscope and inductively coupled plasma spectroscopy. With decreasing RRH particles size, the oil adsorption percentage was reduced for crude, spent and engine oils from 50 to 30%, 65 to 20% and 70 to 0.01%, respectively. This was probably due to damage of the microcavities. The removal percentage by sorbent at optimized conditions was 88, 80 and 55% for engine, spent and crude oils, respectively, corresponding to their descending viscosity. The adsorption of crude and spent oils on rice husk followed the Freundlich isotherm model, while the adsorption of engine oil was fitted by the Langmuir model. The maximum adsorption capacity (qmax), calculated from the Langmuir model for the adsorption of engine oil on RRH, was 1,250 mg/g.

Synthesis of activated carbon-based amino phosphonic acid chelating resin and its adsorption properties for Ce(III) removal.

PubMed

Chen, Tao; Yan, Chunjie; Wang, Yixia; Tang, Conghai; Zhou, Sen; Zhao, Yuan; Ma, Rui; Duan, Ping

2015-01-01

This work aims to investigate the adsorption of Ce(III) onto chelating resin based on activated carbon (CRAC). The CRAC adsorbent was prepared from activated carbon (AC) followed by oxidation, silane coupling, ammoniation and phosphorylation, and characterized by Fourier transform-infrared spectrometry, nitrogen adsorption measurements and scanning electron microscopy. The effects of solution pH, adsorbent dosage and contact time were studied by batch technique. Langmuir and Freundlich isotherms were used to describe the adsorption behaviour of Ce(III) by CRAC, and the results showed that the adsorption behaviour well fitted the Langmuir model. The maximum uptake capacity (qmax) calculated by using the Langmuir equation for cerium ions was found to be 94.34 mg/g. A comparison of the kinetic models and the overall experimental data was best fitted with the type 1 pseudo second-order kinetic model. The calculated thermodynamic parameters (ΔG°, ΔH° and ΔS°) showed that the adsorption for Ce(III) was feasible, spontaneous and exothermic at 25-45 °C. The CRAC showed an excellent adsorptive selectivity towards Ce(III). Moreover, more than 82% of Ce(III) adsorbed onto CRAC could be desorbed with HCl and could be used several times.

Evaluating metal-organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mason, JA; Sumida, K; Herm, ZR

Two representative metal-organic frameworks, Zn4O(BTB)(2)(BTB3- = 1,3,5-benzenetribenzoate; MOF-177) and Mg-2(dobdc) (dobdc(4-) = 1,4-dioxido-2,5-benzenedicarboxylate; Mg-MOF-74, CPO-27-Mg), are evaluated in detail for their potential use in post-combustion CO2 capture via temperature swing adsorption (TSA). Low-pressure single-component CO2 and N-2 adsorption isotherms were measured every 10 degrees C from 20 to 200 degrees C, allowing the performance of each material to be analyzed precisely. In order to gain a more complete understanding of the separation phenomena and the thermodynamics of CO2 adsorption, the isotherms were analyzed using a variety of methods. With regard to the isosteric heat of CO2 adsorption, Mg-2(dobdc) exhibits anmore » abrupt drop at loadings approaching the saturation of the Mg2+ sites, which has significant implications for regeneration in different industrial applications. The CO2/N-2 selectivities were calculated using ideal adsorbed solution theory (IAST) for MOF-177, Mg-2(dobdc), and zeolite NaX, and working capacities were estimated using a simplified TSA model. Significantly, MOF-177 fails to exhibit a positive working capacity even at regeneration temperatures as high as 200 degrees C, while Mg-2(dobdc) reaches a working capacity of 17.6 wt% at this temperature. Breakthrough simulations were also performed for the three materials, demonstrating the superior performance of Mg-2(dobdc) over MOF-177 and zeolite NaX. These results show that the presence of strong CO2 adsorption sites is essential for a metal-organic framework to be of utility in post-combustion CO2 capture via a TSA process, and present a methodology for the evaluation of new metal-organic frameworks via analysis of single-component gas adsorption isotherms.« less

Novel Al-doped carbon nanotubes with adsorption and coagulation promotion for organic pollutant removal.

PubMed

Kang, Dongjuan; Yu, Xiaolin; Ge, Maofa; Xiao, Feng; Xu, Hui

2017-04-01

Al-doped carbon nanotubes (Al-doped CNTs) were prepared as a multifunctional integrated material of adsorbent and coagulant aid for organic pollutant removal from aqueous solution. It was observed that aluminum species were dispersed homogeneously on the surface of CNTs, and mainly anchored onto defect structures of the CNTs. The introduction of aluminium efficiently improved adsorption ability for methyl orange (MO) onto the CNTs, and maximum adsorption capacity calculated from the Langmuir isotherm model can reach 69.7mg/g. The MO adsorption kinetics can be better described by the pseudo-second-order and pore diffusion kinetic models, and the diffusion of MO anions into pores of the Al-doped CNT adsorbent should be the rate-determining step. Thermodynamic analyses indicated that the adsorption of MO onto Al-CNTs-2.0 was endothermic and spontaneous. Moreover, adsorption capacity for MO on the Al-doped CNTs was evidently dependent on the CNT dose, solution pH and adsorbent dose. From the perspective of low-cost and multifunctional, suspension obtained during the Al-doped CNT adsorbent preparation, was tested as coagulant to remove humic acid (HA). A significant observation is that the suspension exhibited an excellent coagulation performance for HA, because abundant aluminous polymer and Al-doped CNTs existed in the suspension. Copyright © 2016. Published by Elsevier B.V.

Adsorption coefficients for TNT on soil and clay minerals

NASA Astrophysics Data System (ADS)

Rivera, Rosángela; Pabón, Julissa; Pérez, Omarie; Muñoz, Miguel A.; Mina, Nairmen

2007-04-01

To understand the fate and transport mechanisms of TNT from buried landmines is it essential to determine the adsorption process of TNT on soil and clay minerals. In this research, soil samples from horizons Ap and A from Jobos Series at Isabela, Puerto Rico were studied. The clay fractions were separated from the other soil components by centrifugation. Using the hydrometer method the particle size distribution for the soil horizons was obtained. Physical and chemical characterization studies such as cation exchange capacity (CEC), surface area, percent of organic matter and pH were performed for the soil and clay samples. A complete mineralogical characterization of clay fractions using X-ray diffraction analysis reveals the presence of kaolinite, goethite, hematite, gibbsite and quartz. In order to obtain adsorption coefficients (K d values) for the TNT-soil and TNT-clay interactions high performance liquid chromatography (HPLC) was used. The adsorption process for TNT-soil was described by the Langmuir model. A higher adsorption was observed in the Ap horizon. The Freundlich model described the adsorption process for TNT-clay interactions. The affinity and relative adsorption capacity of the clay for TNT were higher in the A horizon. These results suggest that adsorption by soil organic matter predominates over adsorption on clay minerals when significant soil organic matter content is present. It was found that, properties like cation exchange capacity and surface area are important factors in the adsorption of clayey soils.

First-principles calculations of the indigo encapsulation and adsorption by MgO nanotubes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sánchez-Ochoa, F., E-mail: fsanchez@ifuap.buap.mx; Cocoletzi, Gregorio H.; Canto, Gabriel I.

2014-06-07

We have performed ab-initio calculations to investigate the structural and electronic properties of (m,m) chiral magnesium oxide nanotubes, (m,m)MgONTs, to explore the encapsulation, inclusion, and adsorption of dyes (organic molecules) such as Indigo (IND). Studies start by determining the structural parameters of the MgO nanotubes with different diameters and the IND. The indigo encapsulation into the MgONT is studied considering four (m,m) chiralities which yield 4 different NT diameters. In the endohedral functionalization, the indigo is within the NT at a tilt angle as in previous theoretical studies of organic molecules inside carbon and boron-nitride nanotubes. Results show that themore » encapsulation is a strong exothermic process with the m = 6 case exhibiting the largest encapsulation energy. It is also explored the indigo adsorption on the NT surface in the parallel and perpendicular configurations. The perpendicular configuration of the IND adsorption on the (8,8)MgONT exhibits the largest energy. The indigo inclusion within the NTs meets a potential barrier when m < 6, however this barrier diminishes as the index increases. Additionally, we have determined the total density of states (DOS), partial DOS, electron charge redistributions, and the highest occupied molecular orbital–lowest unoccupied molecular orbital levels for the NTs with m = 6. Very strong binding energies and electron charge transfer from the IND to NTs is present in the atomic structures.« less

Adsorptive Removal and Adsorption Kinetics of Fluoroquinolone by Nano-Hydroxyapatite

PubMed Central

Chen, Yajun; Lan, Tao; Duan, Lunchao; Wang, Fenghe; Zhao, Bin; Zhang, Shengtian; Wei, Wei

2015-01-01

Various kinds of antibiotics, especially fluoroquinolone antibiotics (FQs) have been widely used for the therapy of infectious diseases in human and livestock. For their poorly absorbed by living organisms, large-scale misuse or abuse of FQs will foster drug resistance among pathogenic bacteria, as well as a variety of environmental problems when they were released in the environment. In this work, the adsorption properties of two FQs, namely norfloxacin (NOR) and ciprofloxacin (CIP), by nano-hydroxyapatite (n-HAP) were studied by batch adsorption experiments. The adsorption curves of FQs by n-HAP were simulated by Langmuir and Freundlich isotherms. The results shown that NOR and CIP can be adsorbed effectively by the adsorbent of n-HAP, and the adsorption capacity of FQs increase with increasing dosage of n-HAP. The optimum dosage of n-HAP for FQs removal was 20 g·L-1, in which the removal efficiencies is 51.6% and 47.3%, and an adsorption equilibrium time is 20 min. The maximum removal efficiency occurred when pH is 6 for both FQs. The adsorption isotherm of FQs fits well for both Langmuir and Freundlich equations. The adsorption of both FQs by n-HAP follows second-order kinetics. PMID:26698573

Utilization of activated carbon produced from fruit juice industry solid waste for the adsorption of Yellow 18 from aqueous solutions.

PubMed

Angin, Dilek

2014-09-01

The use of activated carbon obtained from sour cherry (Prunus cerasus L.) stones for the removal of a basic textile dye, which is Yellow 18, from aqueous solutions at different contact times, pH values and solution temperatures was investigated. The surface area and micropore volume of chemically modified activated carbon were 1704 m(2) g(-1) and 0.984 cm(3) g(-1), respectively. The experimental data indicated that the adsorption isotherms were well described by the Langmuir equilibrium isotherm equation and the calculated adsorption capacity was 75.76 mg g(-1) at 318 K. The adsorption kinetic of Yellow 18 obeys the pseudo-second-order kinetic model. The thermodynamic parameters were calculated to estimate the nature of adsorption. The activation energy of the system was calculated as 0.71-2.36 kJ/mol. According to these results, prepared activated carbon could be used as a low-cost adsorbent to compare with the commercial activated carbon for the removal of Yellow 18 from wastewater. Copyright © 2014 Elsevier Ltd. All rights reserved.

In silico approach to investigating the adsorption mechanisms of short chain perfluorinated sulfonic acids and perfluorooctane sulfonic acid on hydrated hematite surface.

PubMed

Feng, Hongru; Lin, Yuan; Sun, Yuzhen; Cao, Huiming; Fu, Jianjie; Gao, Ke; Zhang, Aiqian

2017-05-01

Short chain perfluorinated sulfonic acids (PFSAs) that were introduced as alternatives for perfluorooctane sulfonic acid (PFOS) have been widely produced and used. However, few studies have investigated the environmental process of short chain PFSAs, and the related adsorption mechanisms still need to be uncovered. The water-oxide interface is one of the major environmental interfaces that plays an important role in affecting the adsorption behaviour and transport potential of the environmental pollutant. In this study, we performed molecular dynamics simulations and quantum chemistry calculations to investigate the adsorption mechanisms of five PFSAs and their adsorption on hydrated hematite surface as well. Different to the vertical configuration reported for PFOS on titanium oxide, all PFSAs share the same adsorption configuration as the long carbon chains parallel to the surface. The formation of hydrogen bonds between F and inter-surface H helps to stabilize the unique configuration. As a result, the sorption capacity increases with increasing C-F chain length. Moreover, both calculated adsorption energy and partial density of states (PDOS) analysis demonstrate a PFSAs adsorption mechanism in between physical and chemical adsorption because the hydrogen bonds formed by the overlap of F (p) orbital and H (s) orbital are weak intermolecular interactions while the physical adsorption are mainly ascribed to the electrostatic interactions. This massive calculation provides a new insight into the pollutant adsorption behaviour, and in particular, may help to evaluate the environmental influence of pollutants. Copyright © 2017. Published by Elsevier Ltd.

Enhancing Nitrogen Availability, Ammonium Adsorption-Desorption, and Soil pH Buffering Capacity using Composted Paddy Husk

NASA Astrophysics Data System (ADS)

Latifah, O.; Ahmed, O. H.; Abdul Majid, N. M.

2017-12-01

Form of nitrogen present in soils is one of the factors that affect nitrogen loss. Nitrate is mobile in soils because it does not absorb on soil colloids, thus, causing it to be leached by rainfall to deeper soil layers or into the ground water. On the other hand, temporary retention and timely release of ammonium in soils regulate nitrogen availability for crops. In this study, composted paddy husk was used in studies of soil leaching, buffering capacity, and ammonium adsorption and desorption to determine the: (i) availability of exchangeable ammonium, available nitrate, and total nitrogen in an acid soil after leaching the soil for 30 days, (ii) soil buffering capacity, and (iii) ability of the composted paddy husk to adsorb and desorb ammonium from urea. Leaching of ammonium and nitrate were lower in all treatments with urea and composted paddy husk compared with urea alone. Higher retention of soil exchangeable ammonium, available nitrate, and total nitrogen of the soils with composted paddy husk were due to the high buffering capacity and cation exchange capacity of the amendment to adsorb ammonium thus, improving nitrogen availability through temporary retention on the exchange sites of the humic acids of the composted paddy husk. Nitrogen availability can be enhanced if urea is amended with composted paddy husk.

Kinetics and thermodynamics studies on the BMP-2 adsorption onto hydroxyapatite surface with different multi-morphological features.

PubMed

Lu, Zhiwei; Huangfu, Changxin; Wang, Yanying; Ge, Hongwei; Yao, Yao; Zou, Ping; Wang, Guangtu; He, Hua; Rao, Hanbing

2015-01-01

The effect of the surface topography on protein adsorption process is of great significance for designing hydroxyapatite (HA) ceramic material surfaces. In this work, three different topographies of HA materials HA-sheet, HA-rod, and HA-whisker were synthesized and testified by X-ray diffraction (XRD), Fourier transform infrared (FT-IR), Brunauer-Emmett-Teller (BET) and a field emission scanning electron microscopy (FE-SEM). We have systematically investigated the adsorption kinetics and thermodynamics of bone morphogenetic proteins (BMP-2) on the three different topography surfaces of HA, respectively. The results showed that the maximum adsorption capacities of HA-sheet, HA-rod and HA-whisker were (219.96 ± 10.18), (247.13 ± 12.35), and (354.67 ± 17.73) μg · g(-1), respectively. Kinetic parameters, rate constants, equilibrium adsorption capacities and related correlation coefficients, for each kinetic model were calculated as well as discussed. It demonstrated that the adsorption of BMP-2 onto HA could be described by the pseudo second-order equation. Adsorption of BMP-2 onto HA followed the Langmuir isotherm. It confirmed that compared with other samples HA-whisker had more adsorption sites for its high specific surface area which could provide more opportunities for protein molecules. The adsorption processes were endothermic (ΔH > 0), spontaneous (ΔG < 0) and entropy increasing (ΔS > 0). A possible adsorption mechanism has been proposed. In addition, the BMP-2 could be adsorbed to the surface which existed slight conformational changes by FT-IR. Copyright © 2015 Elsevier B.V. All rights reserved.

DFT calculations for Au adsorption onto a reduced TiO2 (110) surface with the coexistence of Cl

NASA Astrophysics Data System (ADS)

Tada, Kohei; Sakata, Kohei; Yamada, Satoru; Okazaki, Kazuyuki; Kitagawa, Yasutaka; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka

2014-02-01

Residual chlorines, which originate from HAuCl4, enhance the aggregation of gold (Au) nanoparticles and clusters, preventing the generation of highly active supported Au catalysts. However, the detailed mechanism of residual-chlorine-promoted aggregation of Au is unknown. Herein to investigate this mechanism, density functional theory (DFT) calculations of Au and Cl adsorption onto a reduced rutile TiO2 (110) surface were performed using a generalised gradient approximation Perdew, Burke, and Ernzerhof formula (GGA-PBE) functional and plane-wave basis. Although both Au and Cl atoms prefer to mono-absorb onto oxygen defect sites, Cl atoms have a stronger absorption onto a reduced TiO2 (110) surface, abbreviated as rTiO2 (110) in the following, than Au atoms. Additionally, co-adsorption of a Cl atom and a Au atom or Au nanorod onto a rTiO2 surface was investigated; Cl adsorption onto an oxygen defect site weakens the interaction between a Au atom or Au nanorod and rTiO2 (110) surface. The calculation results suggest that the depletion of interaction between Au and rTiO2 surface is due to strong interaction between Cl atoms at oxygen defect sites and neighbouring bridging oxygen (OB) atoms.

Effect of heat treatment on CO2 adsorption of KOH-activated graphite nanofibers.

PubMed

Meng, Long-Yue; Park, Soo-Jin

2010-12-15

In this work, graphite nanofibers (GNFs) were successfully expanded intercalating KOH followed by heat treatment in the temperature range of 700-1000 °C. The aim was to improve the CO(2) adsorption capacity of the GNFs by increasing the porosity of GNFs. The effects of heat treatment on the pore structures of GNFs were investigated by N(2) full isotherms, XRD, SEM, and TEM. The CO(2) adsorption capacity was measured by CO(2) isothermal adsorption at 25 °C and 1 atm. From the results, it was found that the activation temperature had a major influence on CO(2) adsorption capacity and textural properties of GNFs. The specific surface area, total pore volume, and mesopore volume of the GNFs increased after heat treatment. The CO(2) adsorption isotherms showed that G-900 exhibited the best CO(2) adsorption capacity with 59.2 mg/g. Copyright © 2010 Elsevier Inc. All rights reserved.

Experimental study on removals of SO2 and NOX using adsorption of activated carbon/microwave desorption.

PubMed

Ma, Shuang-Chen; Yao, Juan-Juan; Gao, Li; Ma, Xiao-Ying; Zhao, Yi

2012-09-01

Experimental studies on desulfurization and denitrification were carried out using activated carbon irradiated by microwave. The influences of the concentrations of nitric oxide (NO) and sulfur dioxide (SO 2 ), the flue gas coexisting compositions, on adsorption properties of activated carbon and efficiencies of desulfurization and denitrification were investigated. The results show that adsorption capacity and removal efficiency of NO decrease with the increasing of SO 2 concentrations in flue gas; adsorption capacity of NO increases slightly first and drops to 12.79 mg/g, and desulfurization efficiency descends with the increasing SO 2 concentrations. Adsorption capacity of SO 2 declines with the increasing of O 2 content in flue gas, but adsorption capacity of NO increases, and removal efficiencies of NO and SO 2 could be larger than 99%. Adsorption capacity of NO declines with the increase of moisture in the flue gas, but adsorption capacity of SO 2 increases and removal efficiencies of NO and SO 2 would be relatively stable. Adsorption capacities of both NO and SO 2 decrease with the increasing of CO 2 content; efficiencies of desulfurization and denitrification augment at the beginning stage, then start to fall when CO 2 content exceeds 12.4%. The mechanisms of this process are also discussed. [Box: see text].

Characterization of trichloroethylene adsorption onto waste biocover soil in the presence of landfill gas.

PubMed

He, Ruo; Su, Yao; Kong, Jiaoyan

2015-09-15

Waste biocover soils (WBS) have been demonstrated to have great potential in mitigating trichloroethylene (TCE) emission from landfills, due to the relatively high TCE-degrading capacity. In this study, the characteristics of TCE adsorption on WBS in the presence of the major landfill gas components (i.e., CH4 and CO2) were investigated in soil microcosms. The adsorption isotherm of TCE onto WBS was fitted well with linear model within the TCE concentrations of 7000 ppmv. The adsorption capacity of TCE onto WBS was affected by temperature, soil moisture content and particle size, of which, temperature was the dominant factor. The adsorption capacity of TCE onto the experimental materials increased with the increasing organic matter content. A significantly positive correlation was observed between the adsorption capacity of TCE and the organic matter content of experimental materials that had relatively higher organic content (r = 0.988, P = 0.044). To better understand WBS application in practice, response surface methodology was developed to predict TCE adsorption capacity and emissions through WBS in different landfills in China. These results indicated that WBS had high adsorption capacity of TCE in LFG and temperature should be paid more attention to manipulate WBS to reduce TCE emissions from landfills. Copyright © 2015 Elsevier B.V. All rights reserved.

Equilibrium, kinetics and process design of acid yellow 132 adsorption onto red pine sawdust.

PubMed

Can, Mustafa

2015-01-01

Linear and non-linear regression procedures have been applied to the Langmuir, Freundlich, Tempkin, Dubinin-Radushkevich, and Redlich-Peterson isotherms for adsorption of acid yellow 132 (AY132) dye onto red pine (Pinus resinosa) sawdust. The effects of parameters such as particle size, stirring rate, contact time, dye concentration, adsorption dose, pH, and temperature were investigated, and interaction was characterized by Fourier transform infrared spectroscopy and field emission scanning electron microscope. The non-linear method of the Langmuir isotherm equation was found to be the best fitting model to the equilibrium data. The maximum monolayer adsorption capacity was found as 79.5 mg/g. The calculated thermodynamic results suggested that AY132 adsorption onto red pine sawdust was an exothermic, physisorption, and spontaneous process. Kinetics was analyzed by four different kinetic equations using non-linear regression analysis. The pseudo-second-order equation provides the best fit with experimental data.

MOLECULAR OXYGEN AND THE ADSORPTION OF PHENOLS - EFFECT OF FUNCTIONAL GROUPS

EPA Science Inventory

This study reveals that the presence of molecular oxygen (oxic conditions) has a significant impact on the exhibited adsorptive capacity of granular activated carbon (GAC) for several phenolic compounds. The increase in the GAC adsorptive capacity under oxic conditions results f...

Adsorption affinity and selectivity of 3-ureidopropyltriethoxysilane grafted oil palm empty fruit bunches towards mercury ions.

PubMed

Kunjirama, Magendran; Saman, Norasikin; Johari, Khairiraihanna; Song, Shiow-Tien; Kong, Helen; Cheu, Siew-Chin; Lye, Jimmy Wei Ping; Mat, Hanapi

2017-06-01

This study was conducted to investigate the potential application of oil palm empty fruit branches (OPEFB) as adsorbents to remove organic methylmercurry, MeHg(II), and inorganic Hg(II) from aqueous solution. The OPEFB was functionalized with amine containing ligand namely 3-ureidopropyltriethoxysilane (UPTES) aiming for better adsorption performance towards both mercury ions. The adsorption was found to be dependent on initial pH, initial concentraton, temperatures, and contact time. The maximum adsorption capacities (Q m.exp ) of Hg(II) adsorption onto OPEFB and UPTES-OPEFB were 0.226 and 0.773 mmol/g, respectively. The Q m.exp of MeHg(II) onto OPEFB, however, was higher than UPTES-OPEFB. The adsorption kinetic data obeyed the Elovich model and the adsorption was controlled by the film-diffusion step. The calculated thermodynamic parameters indicate an endothermic adsorption process. Adsorption data analysis indicates that the adsorption mechanism may include ion-exchange, complexation, and physisorption interactions. The potential applications of adsorbents were demonstrated using oilfield produced water and natural gas condensate. The UPTES-OPEFB offered higher selectivity towards both mercury ions than OPEFB. The regenerability studies indicated that the adsorbent could be reused for multiple cycles.

DNA adsorption characteristics of hollow spherule allophane nano-particles.

PubMed

Matsuura, Yoko; Iyoda, Fumitoshi; Arakawa, Shuichi; John, Baiju; Okamoto, Masami; Hayashi, Hidetomo

2013-12-01

To understand the propensity of natural allophane to adsorb the DNA molecules, the adsorption characteristics were assessed against natural allophane (AK70), using single-stranded DNA (ss-DNA) and adenosine 5'-monophosphate (5'-AMP) as a reference molecule. The adsorption capacity of ss-DNA on AK70 exhibited one order of magnitude lower value as compared with that of 5'-AMP. The adsorption capacity of ss-DNA decreased with increasing pH due to the interaction generated between phosphate groups of ss-DNA and functional Al-OH groups on the wall perforations through deprotonating, associated with higher energy barrier for the adsorption of ss-DNA. The adsorption morphologies consisting of the individual ss-DNA with mono-layer coverage of the clustered allophane particle were observed successfully through transmission electron microscopy analysis. © 2013.

Zeolite Y Adsorbents with High Vapor Uptake Capacity and Robust Cycling Stability for Potential Applications in Advanced Adsorption Heat Pumps.

PubMed

Li, Xiansen; Narayanan, Shankar; Michaelis, Vladimir K; Ong, Ta-Chung; Keeler, Eric G; Kim, Hyunho; McKay, Ian S; Griffin, Robert G; Wang, Evelyn N

2015-01-01

Modular and compact adsorption heat pumps (AHPs) promise an energy-efficient alternative to conventional vapor compression based heating, ventilation and air conditioning systems. A key element in the advancement of AHPs is the development of adsorbents with high uptake capacity, fast intracrystalline diffusivity and durable hydrothermal stability. Herein, the ion exchange of NaY zeolites with ingoing Mg 2+ ions is systematically studied to maximize the ion exchange degree (IED) for improved sorption performance. It is found that beyond an ion exchange threshold of 64.1%, deeper ion exchange does not benefit water uptake capacity or characteristic adsorption energy, but does enhance the vapor diffusivity. In addition to using water as an adsorbate, the uptake properties of Mg,Na-Y zeolites were investigated using 20 wt.% MeOH aqueous solution as a novel anti-freeze adsorbate, revealing that the MeOH additive has an insignificant influence on the overall sorption performance. We also demonstrated that the labscale synthetic scalability is robust, and that the tailored zeolites scarcely suffer from hydrothermal stability even after successive 108-fold adsorption/desorption cycles. The samples were analyzed using N 2 sorption, 27 Al/ 29 Si MAS NMR spectroscopy, ICP-AES, dynamic vapor sorption, SEM, Fick's 2 nd law and D-R equation regressions. Among these, close examination of sorption isotherms for H 2 O and N 2 adsorbates allows us to decouple and extract some insightful information underlying the complex water uptake phenomena. This work shows the promising performance of our modified zeolites that can be integrated into various AHP designs for buildings, electronics, and transportation applications.

Simultaneous adsorption of SO2 and NO from flue gas over mesoporous alumina.

PubMed

Sun, Xin; Tang, Xiaolong; Yi, Honghong; Li, Kai; Ning, Ping; Huang, Bin; Wang, Fang; Yuan, Qin

2015-01-01

Mesoporous alumina (MA) with a higher ability to simultaneously remove SO2 and NO was prepared by the evaporation-induced self-assembly process. The adsorption capacities of MA are 1.79 and 0.702 mmol/g for SO2 and NO, respectively. The Brunauer-Emmett-Teller method was used to characterize the adsorbent. Simultaneous adsorption of SO2 and NO from flue gas over MA in different operating conditions had been studied in a fixed bed reactor. The effects of temperature, oxygen concentration and water vapour were investigated. The experimental results showed that the optimum temperature for MA to simultaneously remove SO2 and NO was 90°C. The simultaneous adsorption capacities of SO2 and NO could be enhanced by increasing O2 when its concentration was below 5%. The changes of simultaneous adsorption capacities were not obvious when O2 concentration was above 5%. The increase in relative humidity results in an increase after dropping of SO2 adsorption capacity, whereas the adsorption capacity of NO showed an opposite trend. The results suggest that MA is a great adsorbent for simultaneous removal of SO2 and NO from flue gas.

An experimental design approach for modeling As(V) adsorption from aqueous solution by activated carbon.

PubMed

Bakkal Gula, C; Bilgin Simsek, E; Duranoglu, D; Beker, U

2015-01-01

The present paper discusses response surface methodology as an efficient approach for predictive model building and optimization of As(V) adsorption on activated carbon derived from a food industry waste: peach stones. The objectives of the study are application of a three-factor 2³ full factorial and central composite design technique for maximizing As(V) removal by produced activated carbon, and examination of the interactive effects of three independent variables (i.e., solution pH, temperature, and initial concentration) on As(V) adsorption capacity. Adsorption equilibrium was investigated by using Langmuir, Freundlich, and Dubinin-Radushkevich isotherm models. First-order and second-order kinetic equations were used for modeling of adsorption kinetics. Thermodynamic parameters (ΔG °, ΔH °, and ΔS °) were calculated and used to explain the As(V) adsorption mechanism. The negative value of ΔH (-7.778 kJ mol⁻¹) supported the exothermic nature of the sorption process and the Gibbs free energy values (ΔG°) were found to be negative, which indicates that the As(V) adsorption is feasible and spontaneous.

Adsorption of Acid Blue 25 dye by bentonite and surfactant modified bentonite

NASA Astrophysics Data System (ADS)

Jeeva, Mark; Wan Zuhairi, W. Y.

2018-04-01

Adsorption of Acid Blue (AB 25) from water via batch adsorption experiments onto Na-Bentonite (NB) and CTAB-modified bentonite (CTAB-Ben) was investigated. Studies concerning the factors influencing the adsorption capacities of NB and CTAB-Ben, such as initial dye concentration, adsorbent dosage, pH, contact time and temperature were investigated and discussed. The results revealed that CTAB-modified bentonite demonstrated high adsorption capacities toward acid dyes, while NB exhibited sorption capacities lower than CTAB-Ben. The maximum adsorption efficiency was found to be 50% at an AB 25 concentration of 50 mg/L, adsorbent dosage of 1.8 g/L, reaction time of 90 min and equilibrium pH of 11. The results of isotherm study fit the Langmuir and Freundlich models (R2 > 0.93) and (R2 > 0.9) respectively.

Phosphorus recovery using pelletized adsorptive materials ...

EPA Pesticide Factsheets

Phosphorous (P) is one of the essential nutrients for growth and is generally the most limiting nutrient since, it cannot be fixed from the atmosphere. Methods for recovering phosphorous from water systems already exist, but advances are being made to find a more economic, efficient, effective and easy to use method that can allow for reuse of the recovered P. One area of study is in adsorption, which involves finding the best material for adsorption of phosphorous from water and for releasing it back into the environment through desorption or leaching. The goal of this research was to first optimize the capacity for a pelletized adsorptive material that was synthesized with varying amounts of a binder material from 0-20 % and then to study recovering the phosphate for reuse. The pelletized materials were studied through kinetics experiments as well as isotherm experiments to gain insight into the adsorption capacity and mechanism. Following successful adsorption, a simple leaching study was conducted to see how much phosphate would be released back into water without any added desorption aid. Desorption was then studied by changing the pH of solution. Presenting my thesis work with a poster at ACS.

Mechanism of tyramine adsorption on Ca-montmorillonite.

PubMed

Chang, Po-Hsiang; Jiang, Wei-Teh; Li, Zhaohui

2018-06-10

Tyramine (TY) adsorption on a Ca-montmorillonite (SAz-2) was investigated with batch experiments and complementary analyses utilizing ultra-high performance liquid chromatography, ion chromatography, X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, and thermogravimetry (TG). The adsorption reached equilibrium in 8 h, complying with the pseudo-second-order rate equation, and came to an adsorption capacity of 682 mmol kg -1 at pH 6-8.1, utilizing the Langmuir isotherm model. The adsorption of TY and desorption of exchangeable cations exhibited a linear relationship with a slope of 0.9, implying that the adsorption was largely influenced by a cation exchange mechanism. The effective adsorption was further verified by the characteristic TY bands in the FTIR spectra and the signals of mass loss due to TY decomposition in the TG measurements of the clay after adsorption experiments. Intercalation of hydrated TY into the clay interlayer was confirmed by XRD and TG analyses of the heated samples loaded with TY. The adsorption reached only 0.57 cation exchange capacity of the clay which was probably limited by the low charge density of TY as compared to the negative charge density of the clay surface and by the steric effects arising from the hydration of TY that increased its molecular size. Adsorption of TY on montmorillonite can make TY more resistant to thermal decomposition and possibly better preserved in aquatic and soil environments. Copyright © 2018 Elsevier B.V. All rights reserved.

Surfactant-free synthesis of octahedral ZnO/ZnFe2O4 heterostructure with ultrahigh and selective adsorption capacity of malachite green

NASA Astrophysics Data System (ADS)

Liu, Jue; Zeng, Min; Yu, Ronghai

2016-05-01

A new octahedral ZnO/ZnFe2O4 heterostructure has been fabricated through a facile surfactant-free solvothermal method followed by thermal treatment. It exhibits a record-high adsorption capacity (up to 4983.0 mg·g-1) of malachite green (MG), which is a potentially harmful dye in prevalence and should be removed from wastewater and other aqueous solutions before discharging into the environment. The octahedral ZnO/ZnFe2O4 heterostructure also demonstrates strong selective adsorption towards MG from two kinds of mixed solutions: MG/methyl orange (MO) and MG/rhodamine B (RhB) mixtures, indicating its promise in water treatment.

Surfactant-free synthesis of octahedral ZnO/ZnFe2O4 heterostructure with ultrahigh and selective adsorption capacity of malachite green

PubMed Central

Liu, Jue; Zeng, Min; Yu, Ronghai

2016-01-01

A new octahedral ZnO/ZnFe2O4 heterostructure has been fabricated through a facile surfactant-free solvothermal method followed by thermal treatment. It exhibits a record-high adsorption capacity (up to 4983.0 mg·g−1) of malachite green (MG), which is a potentially harmful dye in prevalence and should be removed from wastewater and other aqueous solutions before discharging into the environment. The octahedral ZnO/ZnFe2O4 heterostructure also demonstrates strong selective adsorption towards MG from two kinds of mixed solutions: MG/methyl orange (MO) and MG/rhodamine B (RhB) mixtures, indicating its promise in water treatment. PMID:27142194

The effect of oxygen molecule adsorption on lead iodide perovskite surface by first-principles calculation

NASA Astrophysics Data System (ADS)

Ma, Xia-Xia; Li, Ze-Sheng

2018-01-01

Oxygen molecule has a negative effect on perovskite solar cells, which has been investigated experimentally. However, detailed theoretical research is still rare. This study presents a microscopic view to reveal the interaction mechanism between O2 and perovskite based on the first-principles calculation. The results show that O2 is adsorbed on the (100) surface of MAPbI3 perovskite mainly by Van der Waals force. O2 adsorption makes the MAPbI3 surface generate a small number of positive charges, which leads to the increase of the work function of the MAPbI3 surface. This is in agreement with the experimental measurement. And increased work function of MAPbI3 surface is not beneficial to electron transfer from perovskite to electronic extraction layer (such as TiO2). Comparison of the density of states (DOS) of the clean (100) surface and the adsorbed system shows that an in-gap state belonging to O2 appears, which can explain the phenomenon observed from experiments that electron transfers from the surface of perovskite to O2 to form superoxide. The theoretical power conversion efficiency of the system with and without O2 adsorption is evaluated, and it turns out that the power conversion efficiency of the system with O2 adsorption is slightly lower than that of the system without O2 adsorption. This result indicates that avoiding the introduction of O2 molecules between perovskite and electronic extraction layer is beneficial to the perovskite solar cell.

Adsorption of emerging contaminant metformin using graphene oxide.

PubMed

Zhu, Shuai; Liu, Yun-Guo; Liu, Shao-Bo; Zeng, Guang-Ming; Jiang, Lu-Hua; Tan, Xiao-Fei; Zhou, Lu; Zeng, Wei; Li, Ting-Ting; Yang, Chun-Ping

2017-07-01

The occurrence of emerging contaminants in our water resources poses potential threats to the livings. Due to the poor treatment in wastewater management, treatment technologies are needed to effectively remove these products for living organism safety. In this study, Graphene oxide (GO) was tested for the first time for its capacity to remove a kind of emerging wastewater contaminants, metformin. The research was conducted by using a series of systematic adsorption and kinetic experiments. The results indicated that GO could rapidly and efficiently reduce the concentration of metformin, which could provide a solution in handling this problem. The uptake of metformin on the graphene oxide was strongly dependent on temperature, pH, ionic strength, and background electrolyte. The adsorption kinetic experiments revealed that almost 80% removal of metformin was achieved within 20 min for all the doses studied, corresponding to the relatively high k 1 (0.232 min -1 ) and k 2 (0.007 g mg -1  min -1 ) values in the kinetic models. It indicated that the highest adsorption capacity in the investigated range (q m ) of GO for metformin was at pH 6.0 and 288 K. Thermodynamic study indicated that the adsorption was a spontaneous (ΔG 0  < 0) and exothermic (ΔH 0  < 0) process. The adsorption of metformin increased when the pH values changed from 4.0 to 6.0, and decreased adsorption were observed at pH 6.0-11.0. GO still exhibited excellent adsorption capacity after several desorption/adsorption cycles. Besides, both so-called π-π interactions and hydrogen bonds might be mainly responsible for the adsorption of metformin onto GO. Copyright © 2017 Elsevier Ltd. All rights reserved.

Multilayer adsorption of Cu(II) and Cd(II) over Brazilian Orchid Tree (Pata-de-vaca) and its adsorptive properties

NASA Astrophysics Data System (ADS)

Jorgetto, Alexandre de O.; da Silva, Adrielli C. P.; Wondracek, Marcos H. P.; Silva, Rafael I. V.; Velini, Edivaldo D.; Saeki, Margarida J.; Pedrosa, Valber A.; Castro, Gustavo R.

2015-08-01

Through very simple and inexpensive processes, pata-de-vaca leaves were turned into a powder and applied as an adsorbent for the uptake of Cu(II) and Cd(II) from water. The material was characterized through SEM, EDX, FTIR and surface area measurement. The material had its point of zero charge determined (5.24), and its adsorption capacity was evaluated as a function of time, pH and metal concentration. The material presented fast adsorption kinetics, reaching adsorption equilibrium in less than 5 min and it had a good correlation with the pseudo-second order kinetic model. Optimum pH for the adsorption of Cu(II) and Cd(II) were found to be in the range from 4 to 5, approximately. In the experiment as a function of the analyte concentration, analogously to gas adsorption, the material presented a type II isotherm, indicating the formation of multilayers for both species. Such behavior was explained with basis in the alternation between cations and anions over the material's surface, and the maximum adsorption capacity, considering the formation of the multilayers were found to be 0.238 mmol L-1 for Cu(II) and 0.113 mmol L-1 for Cd(II).

Adsorption of pharmaceuticals onto isolated polyamide active layer of NF/RO membranes.

PubMed

Liu, Yan-Ling; Wang, Xiao-Mao; Yang, Hong-Wei; Xie, Yuefeng F

2018-06-01

Adsorption of trace organic compounds (TrOCs) onto the membrane materials has a great impact on their rejection by nanofiltration (NF) and reverse osmosis (RO) membranes. This study aimed to investigate the difference in adsorption of various pharmaceuticals (PhACs) onto different NF/RO membranes and to demonstrate the necessity of isolating the polyamide (PA) active layer from the polysulfone (PS) support layer for adsorption characterization and quantification. Both the isolated PA layers and the PA+PS layers of NF90 and ESPA1 membranes were used to conduct static adsorption tests. Results showed that apparent differences existed between the PA layer and the PA+PS layer in the adsorption capacity of PhACs as well as the time necessary to reach the adsorption equilibrium. PhACs with different physicochemical properties could be adsorbed to different extents by the isolated PA layer, which was mainly attributed to electrostatic attraction/repulsion and hydrophobic interactions. The PA layer of ESPA1 exhibited apparently higher adsorption capacities for the positively charged PhACs and similar adsorption capacities for the neutral PhACs although it had significantly less total interfacial area (per unit membrane surface area) for adsorption compared to the PA layer of NF90. The higher affinity of the PA layer of ESPA1 for the PhACs could be due to its higher capacity of forming hydrogen bonds with PhACs resulted from the modified chemistry with more -OH groups. This study provides a novel approach to determining the TrOC adsorption onto the active layer of membranes for the ease of investigating adsorption mechanisms. Copyright © 2018 Elsevier Ltd. All rights reserved.

Arsenic Removal from Water by Adsorption on Iron-Contaminated Cryptocrystalline Graphite

NASA Astrophysics Data System (ADS)

Yang, Qiang; Yang, Lang; Song, Shaoxian; Xia, Ling

This work aimed to study the feasibility of using iron-contaminated graphite as an adsorbent for As(V) removal from water. The adsorbent was prepared by grinding graphite concentrate with steel ball. The study was performed through the measurements of adsorption capacity, BET surface area and XPS analysis. The experimental results showed that the iron-contaminated graphite exhibited significantly high adsorption capacity of As(V). The higher the iron contaminated on the graphite surface, the higher the adsorption capacity of As(V) on the material obtained. It was suggested that the ion-contaminated graphite was a good adsorbent for As(V) removal.

Adsorption mechanism of cadmium on juniper bark and wood

Treesearch

Eun Woo Shin; K. G. Karthikeyan; Mandla A. Tshabalala

2007-01-01

In this study the capacity of sorbents prepared from juniper wood (JW) and bark (JB) to adsorb cadmium (Cd) from aqueous solutions at different pH values was compared. Adsorption behavior was characterized through adsorption kinetics, adsorption isotherms, and adsorption edge experiments. Results from kinetics and isotherm experiments showed that JB (76.3–91.6 lmol Cd...

Surface Curvature Relation to Protein Adsorption for Carbon-based Nanomaterials

NASA Astrophysics Data System (ADS)

Gu, Zonglin; Yang, Zaixing; Chong, Yu; Ge, Cuicui; Weber, Jeffrey K.; Bell, David R.; Zhou, Ruhong

2015-06-01

The adsorption of proteins onto carbon-based nanomaterials (CBNs) is dictated by hydrophobic and π-π interactions between aliphatic and aromatic residues and the conjugated CBN surface. Accordingly, protein adsorption is highly sensitive to topological constraints imposed by CBN surface structure; in particular, adsorption capacity is thought to increase as the incident surface curvature decreases. In this work, we couple Molecular Dynamics (MD) simulations with fluorescence spectroscopy experiments to characterize this curvature dependence in detail for the model protein bovine serum albumin (BSA). By studying BSA adsorption onto carbon nanotubes of increasing radius (featuring descending local curvatures) and a flat graphene sheet, we confirm that adsorption capacity is indeed enhanced on flatter surfaces. Naïve fluorescence experiments featuring multi-walled carbon nanotubes (MWCNTs), however, conform to an opposing trend. To reconcile these observations, we conduct additional MD simulations with MWCNTs that match those prepared in experiments; such simulations indicate that increased mass to surface area ratios in multi-walled systems explain the observed discrepancies. In reduction, our work substantiates the inverse relationship between protein adsorption capacity and surface curvature and further demonstrates the need for subtle consideration in experimental and simulation design.

Adsorption of Methyl Red by water-hyacinth (Eichornia crassipes) biomass.

PubMed

Tarawou, Temi; Horsfall, Michael; Vicente, José L

2007-09-01

The surface characteristics and adsorbent properties of biomass, obtained from low-cost and environmentally problematic water hyacinth, were determined. Optimum conditions for the elimination of the industrial dye Methyl Red (1) from aqueous solution were established by means of a batch adsorption technique. The ultimate adsorption capacity of water-hyacinth biomass in terms of the elimination of 1 was calculated from a Langmuir-type isotherm as 8.85x10(-2) mol g(-1) at 30 degrees and at an optimum solution pH of 8.0. Dye elimination was found to be associated with strong electrostatic forces (physisorption), the overall process being slightly endergonic (deltaG>0). Our study shows that water hyacinth has a great potential of removing color from wastewater and other dye-polluted aquatic systems.

Adsorption of organic stormwater pollutants onto activated carbon from sewage sludge.

PubMed

Björklund, Karin; Li, Loretta Y

2017-07-15

Adsorption filters have the potential to retain suspended pollutants physically, as well as attracting and chemically attaching dissolved compounds onto the adsorbent. This study investigated the adsorption of eight hydrophobic organic compounds (HOCs) frequently detected in stormwater - including four polycyclic aromatic hydrocarbons (PAHs), two phthalates and two alkylphenols - onto activated carbon produced from domestic sewage sludge. Adsorption was studied using batch tests. Kinetic studies indicated that bulk adsorption of HOCs occurred within 10 min. Sludge-based activated carbon (SBAC) was as efficient as tested commercial carbons for adsorbing HOCs; adsorption capacities ranged from 70 to 2800 μg/g (C initial  = 10-300 μg/L; 15 mg SBAC in 150 mL solution; 24 h contact time) for each HOC. In the batch tests, the adsorption capacity was generally negatively correlated to the compounds' hydrophobicity (log K ow ) and positively associated with decreasing molecule size, suggesting that molecular sieving limited adsorption. However, in repeated adsorption tests, where competition between HOCs was more likely to occur, adsorbed pollutant loads exhibited strong positive correlation with log K ow . Sewage sludge as a carbon source for activated carbon has great potential as a sustainable alternative for sludge waste management practices and production of a high-capacity adsorption material. Copyright © 2017 Elsevier Ltd. All rights reserved.

Adsorption contributions of graphene to sodium ion storage performance

NASA Astrophysics Data System (ADS)

Fu, Hao; Xu, Zhanwei; Guan, Weiwei; Shen, Xuetao; Cao, Liyun; Huang, Jianfeng

2018-05-01

Graphene derivates, including graphite, graphene oxide (GO), and reduced graphene oxide (rGO), are employed as sodium ion battery anodes to investigate the effect of adsorption reactions on their electrochemical performance. GO and rGO exhibit the reversible capacity of 230, 192 mAh g‑1 at a low current density of 100 mA g‑1. However, when tested at higher current densities of 200, 500, and 1000 mA g‑1, the GO electrodes deliver 136, 76, and 38 mAh g‑1, respectively. As a comparison, rGO exhibits capacity as high as 168, 133, and 117 mAh g‑1 at the same conditions—23.5%, 75.0%, and 207.9% higher, respectively, than the capacities of GO. These analyses, based on the cyclic voltammetry curves, discharge/charge voltage profiles, rate and cycle performance, as well as infrared spectroscopy analysis, show the contributions of the capacity from reversible physical and chemical adsorption. The main behavior type of rGO is physical adsorption, which meets the requirements of the fast charge/discharge process, while the predominant behavior of GO is chemical adsorption.

Immobilization of Acetobacter aceti on cellulose ion exchangers: adsorption isotherms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bar, R.; Gainer, J.L.; Kirwan, D.J.

1986-08-01

The adsorptive behavior of cells of Acetobacter aceti, ATCC 23746, on DEAE-, TEAE-, and DEHPAE-cellulose ion exchangers in a modified Hoyer's medium at 30 degrees Centigrade was investigated. The maximum observed adsorption capacities varied from 46 to 64 mg dry wt/g resin. The Langmuir isotherm form was used to fit the data, since the cells formed a monolayer on the resin and exhibited saturation. The equilibrium constant in the Langmuir expression was qualitatively correlated with the surface charge density of the resin. The adsorption was also ''normalized'' by considering the ionic capacities of the resins. The exceptionally high normalized adsorptionmore » capacity of ECTEOLA-cellulose, 261 mg dry/meq, may be explained by an interaction between the cell wall and the polyglyceryl chains of the exchanging groups in addition to the electrostatic effects. The effect of pH on the bacterial adsorption capacity of ECTEOLA-, TEAE-, and phosphate-cellulose resins was studied and the pH of the bacteria was estimated to be 3.0. 17 references.« less

Adsorption and structure of water on kaolinite surfaces: possible insight into ice nucleation from grand canonical monte carlo calculations.

PubMed

Croteau, T; Bertram, A K; Patey, G N

2008-10-30

Grand canonical Monte Carlo calculations are used to determine water adsorption and structure on defect-free kaolinite surfaces as a function of relative humidity at 235 K. This information is then used to gain insight into ice nucleation on kaolinite surfaces. Results for both the SPC/E and TIP5P-E water models are compared and demonstrate that the Al-surface [(001) plane] and both protonated and unprotonated edges [(100) plane] strongly adsorb at atmospherically relevant relative humidities. Adsorption on the Al-surface exhibits properties of a first-order process with evidence of collective behavior, whereas adsorption on the edges is essentially continuous and appears dominated by strong water lattice interactions. For the protonated and unprotonated edges no structure that matches hexagonal ice is observed. For the Al-surface some of the water molecules formed hexagonal rings. However, the a o lattice parameter for these rings is significantly different from the corresponding constant for hexagonal ice ( Ih). A misfit strain of 14.0% is calculated between the hexagonal pattern of water adsorbed on the Al-surface and the basal plane of ice Ih. Hence, the ring structures that form on the Al-surface are not expected to be good building-blocks for ice nucleation due to the large misfit strain.

Competitive adsorption of heavy metals onto sesame straw biochar in aqueous solutions.

PubMed

Park, Jong-Hwan; Ok, Yong Sik; Kim, Seong-Heon; Cho, Ju-Sik; Heo, Jong-Soo; Delaune, Ronald D; Seo, Dong-Cheol

2016-01-01

Objective of this research was to evaluate adsorption of heavy metals in mono and multimetal forms onto sesame straw biochar (SSB). Competitive sorption of metals by SSB has never been reported previously. The maximum adsorption capacities (mgg(-1)) of metals by SSB were in the order of Pb (102)≫Cd (86)≫Cr (65)>Cu (55)≫Zn (34) in the monometal adsorption isotherm and Pb (88)≫Cu (40)≫Cr (21)>Zn (7)⩾Cd (5) in the multimetal adsorption isotherm. Based on data obtained from the distribution coefficients, Freundlich and Langmuir adsorption models, and three-dimensional simulation, multimetal adsorption behaviors differed from monometal adsorption due to competition. Especially, during multimetal adsorption, Cd was easily exchanged and substituted by other metals. Further competitive adsorption studies are necessary in order to accurately estimate the heavy metal adsorption capacity of biochar in natural environments. Copyright © 2015 Elsevier Ltd. All rights reserved.

Adsorption of Pb2+ ions on novel ternary nanocomposite of tin, iron and titania

NASA Astrophysics Data System (ADS)

Rehman, Mahfooz ur; Rehman, Wajid; Waseem, Muhammad; Haq, Sirajul; Hussain Shah, Khizar; Kang, Peng

2018-02-01

In this study, ternary nanocomposite (TNC) was synthesized by microemulsion method by taking Sn, Ti and Fe in (1:1:1) molar ratio. The BET surface area and pore size were measured by nitrogen adsorption method. The morphological features of TNC like particle size, elemental percentage and crystallite size were studied by scanning electron microscopy (SEM), energy dispersive x-rays (EDX) and x-rays diffraction (XRD) respectively, whereas the surface functional groups were detected by Fourier Transform Infrared (FTIR) spectroscopy. The crystallite size was found to be 11 nm, calculated from FWHM of diffraction peak with relative intensity 100%. For the thermal stability of TNC, thermogravimetric analysis (TGA) was performed. Batch adsorption tests were used for the removal of Pb2+ ions from aqueous solutions. The maximum adsorption capacity in this study was found to be 79.56 mg g-1 at 40 °C which is promising than the values reported in the literature. Based on the regression coefficient (r 2), the adsorption data was found well fitted to the Langmuir as compared to Freundlich model. The exchange of a single proton with every Pb2+ ion was calculated. Thermodynamic parameters were indicative for the sorption process to be endothermic and spontaneous.

Kinetics of Cd(ii) adsorption and desorption on ferrihydrite: experiments and modeling.

PubMed

Liang, Yuzhen; Tian, Lei; Lu, Yang; Peng, Lanfang; Wang, Pei; Lin, Jingyi; Cheng, Tao; Dang, Zhi; Shi, Zhenqing

2018-05-15

The kinetics of Cd(ii) adsorption/desorption on ferrihydrite is an important process affecting the fate, transport, and bioavailability of Cd(ii) in the environment, which was rarely systematically studied and understood at quantitative levels. In this work, a combination of stirred-flow kinetic experiments, batch adsorption equilibrium experiments, high-resolution transmission electron microscopy (HR-TEM), and mechanistic kinetic modeling were used to study the kinetic behaviors of Cd(ii) adsorption/desorption on ferrihydrite. HR-TEM images showed the open, loose, and sponge-like structure of ferrihydrite. The batch adsorption equilibrium experiments revealed that higher pH and initial metal concentration increased Cd(ii) adsorption on ferrihydrite. The stirred-flow kinetic results demonstrated the increased adsorption rate and capacity as a result of the increased pH, influent concentration, and ferrihydrite concentration. The mechanistic kinetic model successfully described the kinetic behaviors of Cd(ii) during the adsorption and desorption stages under various chemistry conditions. The model calculations showed that the adsorption rate coefficients varied as a function of solution chemistry, and the relative contributions of the weak and strong ferrihydrite sites for Cd(ii) binding varied with time at different pH and initial metal concentrations. Our model is able to quantitatively assess the contributions of each individual ferrihydrite binding site to the overall Cd(ii) adsorption/desorption kinetics. This study provided insights into the dynamic behavior of Cd(ii) and a predictive modeling tool for Cd(ii) adsorption/desorption kinetics when ferrihydrite is present, which may be helpful for the risk assessment and management of Cd contaminated sites.

Investigation of copper (Cu2+) adsorption performances and gamma radiation dose effect of polymeric hydrogel

NASA Astrophysics Data System (ADS)

Hassan, Safia; Yasin, Tariq; Imran, Zahid; Batool, Syeda Sitwat

2018-02-01

In present study, series of gamma irradiated poly(acrylic acid)/Penytriethoxytrisilane (PTES) based hydrogels were synthesized. The hydrogels were used for the adsorption of Cu2+ from the aqueous solution. Batch adsorption experiments were performed by varying contact time (0-10 hours), pH value (2-6), hydrogels weight (15-155 mg) and initial Cu2+ concentration (0.003-90 mg/L). The results indicated that lowering the gamma irradiation dose (30-15 kGy) and PTES amount (1.65-0.83 μmol) into hydrogel polymeric networks, improved the initial rate of adsorption and final adsorption capacity of hydrogel for Cu2+. AA40/15 had 143.4mg/g Cu2+ adsorption capacity higher than AA80/30 which is 106.0mg/g. Hydrogels exhibited maximum o adsorption capacity for Cu2+ within a wide pH range. All adsorption data was described by the pseudo—first order and second order kinetic model equations and isotherm data by Langmuir model. FTIR spectra analysis before and after adsorption of Cu2+ on the AA hydrogels gave detail analysis of adsorption mechanism. The behavior of adsorption expressed that the enhanced adsorption capacity was due to the porous structure and e presence of functional groups onto surface of adsorbate. It is expected this polymeric hydrogel has potential to work as alternative biomedical sorbents and environmental use as pH altered.

Adsorption of methyl orange from aqueous solution using chitosan/diatomite composite.

PubMed

Zhao, Peng; Zhang, Runhu; Wang, Jianglin

2017-04-01

A novel chitosan/diatomite composite was prepared by a simple mixture in the mass ratio to remove methyl orange (MO) from aqueous media in this study. The composite adsorbent was characterized by Fourier transform infrared spectroscopy and scanning electron microscopy analysis. The parameters to influence the adsorption of MO were studied under such conditions as kinetics, adsorption isotherm, pH effect, and thermodynamics. The results revealed that adsorption of MO was initially rapid and the equilibrium time was reached after 40 min. The optimal value of the pH was 5.0 for better adsorption. The equilibrium data were well fitted to the Langmuir isotherm compared to the Freundlich isotherm, and exhibited the highest capacity and a removal rate of 88.37% under an initial dye concentration of 50 mg/L. The kinetic data were well described by the pseudo-second order model. The thermodynamic calculations revealed that the sorption was viable, spontaneous, and exothermic under the conditions studied. In addition, the chitosan/diatomite composite had good adsorption and desorption performance with respect to reusability after six cycles. These results showed that the chitosan/diatomite could be considered as a potential adsorbent for the removal of MO in aqueous solution.

Facile Preparation of Magnetic Graphene Oxide and Attapulgite Composite Adsorbent for the Adsorption of Ni (II)

NASA Astrophysics Data System (ADS)

Bigui, Wei; Xiaofei, Zhu; Xiabing, Cheng

2017-12-01

Graphene oxide (GO) is an excellent absorbent for heavy ion from wastewater, but it is hard to separate from water. To improve the adsorption capacity and separation performance of GO to nickel-containing wastewater, a composite magnetic GO-ATP adsorbent (MGA) was prepared by magnetizing GO and attapulgite (ATP) using ferroferric oxide and then carrying out hydrothermal reaction. The adsorption capacity and mechanism of MGA were investigated based on Ni2+ as targeted pollutant. Experimental results showed that the pH value significantly affects the removal rate of Ni2+, which is mainly due to that OH- in wastewater reacts with Ni2+, resulting in sediment that leads to the increase of removal rate. MGA can achieve max adsorption capacity of Ni2+ to 190.8 mg/g at pH = 5, and the adsorption process was mainly determined by chemical adsorption, which was in line with pseudo-secondary dynamics model. The adsorption was basically homogeneous monolayer adsorption with heat release, which was more agree with Langmuir adsorption isotherm equation. the adsorption process of Ni2+ by MGA. The adsorption process was a spontaneous process and an exothermic reaction. It can be confirmed that the prepared MGA adsorbent can realize slurry separation using magnetic separation principle and has high adsorption capacity to Ni2+.

Study on the adsorption of bacteria in ceramsite and their synergetic effect on adsorption of heavy metals.

PubMed

Qiu, Shan; Ma, Fang; Huang, Xu; Xu, Shanwen

2014-01-01

In this paper, heavy metal adsorption by ceramsite with or without Bacillus subtilis (B. subtilis) immobilization was studied, and the synergetic effect of ceramsite and bacteria was discussed in detail. To investigate the roles of the micro-pore structure of ceramsite and bacteria in removing heavy metals, the amount of bacteria immobilized on the ceramsite was determined and the effect of pH was evaluated. It was found that the immobilization of B. subtilis on the ceramsite was attributed to the electrostatic attraction and covalent bond. The scanning electron microscopy results revealed that, with the presence of ceramsite, there was the conglutination of B. subtilis cells due to the cell outer membrane dissolving. In addition, the B. subtilis immobilized ceramsite showed a different adsorption capacity for different heavy metals, with the adsorption capacity ranking of La(3+) > Cu(2+) > Mg(2+) > Na(+).

Dissociative adsorption of a multifunctional compound on a semiconductor surface: a theoretical study of the adsorption of hydroxylamine on Ge(100).

PubMed

Park, Hyunkyung; Kim, Do Hwan

2018-06-06

The adsorption behavior of hydroxylamine on a Ge(100) surface was investigated using density functional theory (DFT) calculations. These calculations predicted that hydroxylamine, a multifunctional compound consisting of a hydroxyl group and an amine group, would initially become adsorbed through N-dative bonding, or alternatively through the hydroxyl group via O-H dissociative adsorption. An N-O dissociative reaction may also occur, mainly via N-dative molecular adsorption, and the N-O dissociative product was calculated to be the most stable of all the possible adsorption structures. The calculations furthermore indicated the formation of the N-O dissociative product from the N-dative structure to be nearly barrierless and the dissociated hydroxyl and amine groups to be bonded to two Ge atoms of adjacent Ge dimers. Simulated STM images suggested the change in electron density that would occur upon adsorption of hydroxylamine in various adsorption configurations, and specifically indicated the N-O dissociative product to have greater electron density around the amine groups, and the hydroxyl groups to mainly contribute electron density to the unoccupied electronic states.

Defluoridation of drinking water using adsorption processes.

PubMed

Loganathan, Paripurnanda; Vigneswaran, Saravanamuthu; Kandasamy, Jaya; Naidu, Ravi

2013-03-15

Excessive intake of fluoride (F), mainly through drinking water, is a serious health hazard affecting humans worldwide. There are several methods used for the defluoridation of drinking water, of which adsorption processes are generally considered attractive because of their effectiveness, convenience, ease of operation, simplicity of design, and for economic and environmental reasons. In this paper, we present a comprehensive and a critical literature review on various adsorbents used for defluoridation, their relative effectiveness, mechanisms and thermodynamics of adsorption, and suggestions are made on choice of adsorbents for various circumstances. Effects of pH, temperature, kinetics and co-existing anions on F adsorption are also reviewed. Because the adsorption is very weak in extremely low or high pHs, depending on the adsorbent, acids or alkalis are used to desorb F and regenerate the adsorbents. However, adsorption capacity generally decreases with repeated use of the regenerated adsorbent. Future research needs to explore highly efficient, low cost adsorbents that can be easily regenerated for reuse over several cycles of operations without significant loss of adsorptive capacity and which have good hydraulic conductivity to prevent filter clogging during the fixed-bed treatment process. Copyright © 2013 Elsevier B.V. All rights reserved.

Vermicompost as a natural adsorbent: evaluation of simultaneous metals (Pb, Cd) and tetracycline adsorption by sewage sludge-derived vermicompost.

PubMed

He, Xin; Zhang, Yaxin; Shen, Maocai; Tian, Ye; Zheng, Kaixuan; Zeng, Guangming

2017-03-01

The simultaneous adsorption of heavy metals (Pb, Cd) and organic pollutant (tetracycline (TC)) by a sewage sludge-derived vermicompost was investigated. The maximal adsorption capacity for Pb, Cd, and TC in a single adsorptive system calculated from Langmuir equation was 12.80, 85.20, and 42.94 mg L -1 , while for mixed substances, the adsorption amount was 2.99, 13.46, and 20.89 mg L -1 , respectively. The adsorption kinetics fitted well to the pseudo-second-order model, implying chemical interaction between adsorbates and functional groups, such as -COOH, -OH, -NH, and -CO, as well as the formation of organo-metal complexes. Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) specific surface area measurement were adopted to gain insight into the structural changes and a better understanding of the adsorption mechanism. The sewage sludge-derived vermicompost can be a low cost and environmental benign eco-material for high efficient wastewater remediation.

Evaluation of phosphorus adsorption capacity of sesame straw biochar on aqueous solution: influence of activation methods and pyrolysis temperatures.

PubMed

Park, J H; Ok, Y S; Kim, S H; Cho, J S; Heo, J S; Delaune, R D; Seo, D C

2015-12-01

The phosphorus (P) adsorption characteristic of sesame straw biochar prepared with different activation agents and pyrolysis temperatures was evaluated. Between 0.109 and 0.300 mg L(-1) in the form of inorganic phosphate was released from raw sesame straw biochar in the first 1 h. The release of phosphate was significantly enhanced from 62.6 to 168.2 mg g(-1) as the pyrolysis temperature increased. Therefore, sesame straw biochar cannot be used as an adsorbent for P removal without change in the physicochemical characteristics. To increase the P adsorption of biochar in aqueous solution, various activation agents and pyrolysis temperatures were applied. The amount of P adsorbed from aqueous solution by biochar activated using different activation agents appeared in the order ZnCl2 (9.675 mg g(-1)) > MgO (8.669 mg g(-1)) ⋙ 0.1N-HCl > 0.1N-H2SO4 > K2SO4 ≥ KOH ≥ 0.1N-H3PO4, showing ZnCl2 to be the optimum activation agent. Higher P was adsorbed by the biochar activated using ZnCl2 under different pyrolysis temperatures in the order 600 °C > 500 °C > 400 °C > 300 °C. Finally, the amount of adsorbed P by activated biochar at different ratios of biochar to ZnCl2 appeared in the order 1:3 ≒ 1:1 > 3:1. As a result, the optimum ratio of biochar to ZnCl2 and pyrolysis temperature were found to be 1:1 and 600 °C for P adsorption, respectively. The maximum P adsorption capacity by activated biochar using ZnCl2 (15,460 mg kg(-1)) was higher than that of typical biochar, as determined by the Langmuir adsorption isotherm. Therefore, the ZnCl2 activation of sesame straw biochar was suitable for the preparation of activated biochar for P adsorption.

Selective adsorption mechanisms of antilipidemic and non-steroidal anti-inflammatory drug residues on functionalized silica-based porous materials in a mixed solute.

PubMed

Suriyanon, Nakorn; Permrungruang, Jutima; Kaosaiphun, Jidanan; Wongrueng, Aunnop; Ngamcharussrivichai, Chawalit; Punyapalakul, Patiparn

2015-10-01

The selective adsorption mechanisms of naproxen (NAP), acetaminophen (ACT), and clofibric acid (CFA) on silica-based porous materials were examined by single and mixed-batch adsorption. Effects of the types and densities of surface functional groups on adsorption capacities were determined, including the role of hydrophobic and hydrophilic dissolved organic matters (DOMs). Hexagonal mesoporous silica (HMS), superparamagnetic HMS (HMS-SP) and SBA-15 were functionalized and applied as adsorbents. Compared with powdered activated carbon (PAC), amine-functionalized HMS had a better adsorption capacity for CFA, but PAC possessed a higher adsorption capacity for the other pharmaceuticals than HMS and its two derivatives. In contrast to PAC, the adsorption capacity of the mesoporous silicas varied with the solution pH, being highest at pH 5. Electrostatic interactions and hydrogen bonding were found to be the main mechanisms. Increase in grafted amine group density on silica surfaces can enhance the CFA adsorption capacity. Further, hydrophilic DOM can decrease CFA adsorption capacities on amino-grafted adsorbents by adsorption site competition, while hydrophobic DOM can interfere with CFA adsorption by the interaction between hydrophobic DOM and CFA. Finally, in a competitive adsorption study, the adsorption capacity of hydrophilic adsorbents for acidic pharmaceuticals varied with their pKa values. Copyright © 2015 Elsevier Ltd. All rights reserved.

CR-100 synthetic zeolite adsorption characteristics toward Northern Banat groundwater ammonia.

PubMed

Tomić, Željko; Kukučka, Miroslav; Stojanović, Nikoleta Kukučka; Kukučka, Andrej; Jokić, Aleksandar

2016-10-14

The adsorption characteristics of synthetic zeolite CR-100 in a fixed-bed system using continuous flow of groundwater containing elevated ammonia concentration were examined. The possibilities for adsorbent mass calculation throughout mass transfer zone using novel mathematical approach as well as zeolite adsorption capacity at every sampling point in time or effluent volume were determined. The investigated adsorption process consisted of three clearly separated steps indicated to sorption kinetics. The first step was characterized by decrease and small changes in effluent ammonia concentration vs. experiment time and quantity of adsorbed ammonia per mass unit of zeolite. The consequences of this phenomenon were showed in the plots of the Freundlich and the Langmuir isotherm models through a better linear correlation according as graphical points contingent to the first step were not accounted. The Temkin and the Dubinin-Radushkevich isotherm models showed the opposite tendency with better fitting for overall measurements. According to the obtained isotherms parameter data, the investigated process was found to be multilayer physicochemical adsorption, and also that synthetic zeolite CR-100 is a promising material for removal of ammonia from Northern Banat groundwater with an ammonia removal efficiency of 90%.

Adsorption of diastase over natural halloysite nanotubes (HNTs)

NASA Astrophysics Data System (ADS)

Twaiq, F.; Chang, K. X.; Ling, J. Y. W.

2017-06-01

Adsorption of diastase over natural halloysite nanotubes is studied in order to evaluate the adsorption capacity of diastase. The halloysite surface characteristics were assessed using nitrogen adsorption, x-ray diffraction (XRD), thermal gravimetric analysis (TGA) and Fourier transformed infrared (FTIR). The surface area of the natural halloysite is found to be 51 m2·g-1, with total pore volume of 0.106 cm3·g-1. The natural halloysite has a basal spacing (d001) of 10 Å confirming the structure of the natural halloysite material. TGA results indicated that halloysite loses its interlayer water in the range of 30 to 105 °C and the dehydration in the structural layer above 150 °C. The dehydroxylation of halloysite has occurred at approximately 460 °C. The FTIR result of the thermally treated halloysite sample indicated that the bands observed are assigned to Si-O and Al-O bonds. The effects of solution pH and temperature were studied on the adsorption capacity and percent removal of diastase from the solution. The adsorption kinetic found to fit well with both the Pseudo first-order and Pseudo second-order models, and the values of the kinetic constant were found to be 0.173 min-1 and 0.00018 g·mg-1·min-1 respectively. The Langmuir isotherm model is found to fit well to the adsorption data and a kinetic value is found to be 0.00059 m3·g-1. The maximum adsorption capacity was found to be 370 mg·g-1, indicating the potential for applications of the natural nanostructured halloysite material as an effective adsorbent for diastase.

Effects of coal storage in air on physical and chemical properties of coal and on gas adsorption

USGS Publications Warehouse

Mastalerz, Maria; Solano-Acosta, W.; Schimmelmann, A.; Drobniak, A.

2009-01-01

This paper investigates changes in the high-volatile bituminous Lower Block Coal Member from Indiana owing to moisture availability and oxidation in air at ambient pressure and temperature over storage time. Specifically, it investigates changes in chemistry, in surface area, and pore structure, as well as changes in methane and carbon dioxide adsorption capacities. Our results document that the methane adsorption capacity increased by 40%, whereas CO2 adsorption capacity increased by 18% during a 13-month time period. These changes in adsorption are accompanied by changes in chemistry and surface area of the coal. The observed changes in adsorption capacity indicate that special care must be taken when collecting samples and preserving coals until adsorption characteristics are measured in the laboratory. High-pressure isotherms from partially dried coal samples would likely cause overestimation of gas adsorption capacities, lead to a miscalculation of coal-bed methane prospects, and provide deceptively optimistic prognoses for recovery of coal-bed methane or capture of anthropogenic CO2. ?? 2009 Elsevier B.V. All rights reserved.

Adsorptive removal of antibiotics from water using magnetic ion exchange resin.

PubMed

Wang, Tianyue; Pan, Xun; Ben, Weiwei; Wang, Jianbing; Hou, Pin; Qiang, Zhimin

2017-02-01

The occurrence of antibiotics in the environment has recently raised serious concern regarding their potential threat to aquatic ecosystem and human health. In this study, the magnetic ion exchange (MIEX) resin was applied for removing three commonly-used antibiotics, sulfamethoxazole (SMX), tetracycline (TCN) and amoxicillin (AMX) from water. The results of batch experiments show that the maximum adsorption capacities on the MIEX resin for SMX, TCN and AMX were 789.32, 443.18 and 155.15μg/mL at 25°C, respectively, which were 2-7 times that for the powdered activated carbon. The adsorption kinetics of antibiotics on the MIEX resin could be simulated by the pseudo-second-order model (R 2 =0.99), and the adsorption isotherm data were well described by the Langmuir model (R 2 =0.97). Solution pH exhibited a remarkable impact on the adsorption process and the absorbed concentrations of the tested antibiotics were obtained around the neutral pH. The MIEX resin could be easily regenerated by 2mol/L NaCl solution and maintained high adsorption removal for the tested antibiotics after regeneration. Anion exchange mechanism mainly controlled the adsorption of antibiotic and the formation of hydrogen binding between the antibiotic and resin can also result in the increase of adsorption capacity. The high adsorption capacity, fast adsorption rate and prominent reusability make the MIEX resin a potential adsorbent in the application for removing antibiotics from water. Copyright © 2016. Published by Elsevier B.V.

A quantitative speciation model for the adsorption of organic pollutants on activated carbon.

PubMed

Grivé, M; García, D; Domènech, C; Richard, L; Rojo, I; Martínez, X; Rovira, M

2013-01-01

Granular activated carbon (GAC) is commonly used as adsorbent in water treatment plants given its high capacity for retaining organic pollutants in aqueous phase. The current knowledge on GAC behaviour is essentially empirical, and no quantitative description of the chemical relationships between GAC surface groups and pollutants has been proposed. In this paper, we describe a quantitative model for the adsorption of atrazine onto GAC surface. The model is based on results of potentiometric titrations and three types of adsorption experiments which have been carried out in order to determine the nature and distribution of the functional groups on the GAC surface, and evaluate the adsorption characteristics of GAC towards atrazine. Potentiometric titrations have indicated the existence of at least two different families of chemical groups on the GAC surface, including phenolic- and benzoic-type surface groups. Adsorption experiments with atrazine have been satisfactorily modelled with the geochemical code PhreeqC, assuming that atrazine is sorbed onto the GAC surface in equilibrium (log Ks = 5.1 ± 0.5). Independent thermodynamic calculations suggest a possible adsorption of atrazine on a benzoic derivative. The present work opens a new approach for improving the adsorption capabilities of GAC towards organic pollutants by modifying its chemical properties.

Adsorption Behavior of Selective Recognition Functionalized Biochar to Cd(II) in Wastewater

PubMed Central

Zhang, Shiqiu; Yang, Xue; Liu, Le; Ju, Meiting; Zheng, Kui

2018-01-01

Biochar is an excellent absorbent for most heavy metal ions and organic pollutants with high specific surface area, strong aperture structure, high stability, higher cation exchange capacity and rich surface functional groups. To improve the selective adsorption capacity of biochar to designated heavy metal ions, biochar prepared by agricultural waste is modified via Ionic-Imprinted Technique. Fourier transform infrared (FT-IR) spectra analysis and X-ray photoelectron spectroscopy (XPS) analysis of imprinted biochar (IB) indicate that 3-Mercaptopropyltrimethoxysilane is grafted on biochar surface through Si–O–Si bonds. The results of adsorption experiments indicate that the suitable pH range is about 3.0–8.0, the dosage is 2.0 g·L−1, and the adsorption equilibrium is reached within 960 min. In addition, the data match pseudo-second-order kinetic model and Langmuir model well. The computation results of adsorption thermodynamics and stoichiometric displacement theory of adsorption (SDT-A) prove that the adsorption process is spontaneous and endothermic. Finally, IB possesses a higher selectivity adsorption to Cd(II) and a better reuse capacity. The functionalized biochar could solidify designated ions stably. PMID:29443954

Adsorptive removal of arsenic by novel iron/olivine composite: Insights into preparation and adsorption process by response surface methodology and artificial neural network.

PubMed

Ghosal, Partha S; Kattil, Krishna V; Yadav, Manoj K; Gupta, Ashok K

2018-03-01

Olivine, a low-cost natural material, impregnated with iron is introduced in the adsorptive removal of arsenic. A wet impregnation method and subsequent calcination were employed for the preparation of iron/olivine composite. The major preparation process parameter, viz., iron loading and calcination temperature were optimized through the response surface methodology coupled with a factorial design. A significant variation of adsorption capacity of arsenic (measured as total arsenic), i.e., 63.15 to 310.85 mg/kg for arsenite [As(III) T ] and 76.46 to 329.72 mg/kg for arsenate [As(V) T ] was observed, which exhibited the significant effect of the preparation process parameters on the adsorption potential. The iron loading delineated the optima at central points, whereas a monotonous decreasing trend of adsorption capacity for both the As(III) T and As(V) T was observed with the increasing calcination temperature. The variation of adsorption capacity with the increased iron loading is more at lower calcination temperature showing the interactive effect between the factors. The adsorbent prepared at the optimized condition of iron loading and calcination temperature, i.e., 10% and 200 °C, effectively removed the As(III) T and As(V) T by more than 96 and 99%, respectively. The material characterization of the adsorbent showed the formation of the iron compound in the olivine and increase in specific surface area to the tune of 10 multifold compared to the base material, which is conducive to the enhancement of the adsorption capacity. An artificial neural network was applied for the multivariate optimization of the adsorption process from the experimental data of the univariate optimization study and the optimized model showed low values of error functions and high R 2 values of more than 0.99 for As(III) T and As(V) T . The adsorption isotherm and kinetics followed Langmuir model and pseudo second order model, respectively demonstrating the chemisorption in this

Copper Accumulation, Availability and Adsorption Capacity in Sandy Soils of Vineyards with Different Cultivation Duration

NASA Astrophysics Data System (ADS)

Mallmann, F. J. K.; Miotto, A.; Bender, M. A.; Gubiani, E.; Rheinheimer, D. D. S.; Kaminski, J.; Ceretta, C. A.; Šimůnek, J.

2015-12-01

Bordeaux mixture is a copper-based (Cu) fungicide and bactericide applied in vineyards to control plant diseases. Since it is applied several times per year, it accumulates in large quantities on plants and in soil. This study evaluates the Cu accumulation in, and desorption kinetics and adsorption capability of a sandy Ultisol in a natural field and in 3 vineyards for 5 (V1), 11 (V2), and 31 (V3) years in South of Brazil. Soil samples were collected in 8 depths (0-60 cm) of all four soil profiles, which all displayed similar soil properties. The following soil properties were measured: pH, organic matter (OM), soil bulk density, Cu total concentration, and Cu desorption and adsorption curves. A two first-order reactions model and the Langmuir isotherm were fitted to the desorption and adsorption curves, respectively. An increase in the total mass of Cu in the vineyards followed a linear regression curve, with an average annual increase of 7.15 kg ha-1. Cu accumulated down to a depth of 5, 20, and 30 cm in V1, V2 and V3, respectively, with the highest Cu content reaching 138.4 mg kg-1 in the 0-5 cm soil layer of V3. Cu desorption parameters showed a high correlation with its total concentration. Approximately 57 and 19% of total Cu were immediately and slowly available, respectively, indicating a high potential for plant absorption and/or downward movement. Cu concentrations extracted by EDTA from soil layers not affected by anthropogenic Cu inputs were very low. The maximum Cu adsorption capacity of the 0-5 and 5-10 cm soil layers increased with the vineyard age, reaching concentrations higher than 900 mg kg-1. This increase was highly related to OM and pH, which both increased with cultivation duration. Despite of low clay content of these soils, there is low risk of groundwater Cu contamination for actual conditions. However, high Cu concentrations in the surface layer of the long-term vineyards could cause toxicity problems for this and for companion crops.

Adsorption kinetics of NO on ordered mesoporous carbon (OMC) and cerium-containing OMC (Ce-OMC)

NASA Astrophysics Data System (ADS)

Chen, Jinghuan; Cao, Feifei; Chen, Songze; Ni, Mingjiang; Gao, Xiang; Cen, Kefa

2014-10-01

Ordered mesoporous carbon (OMC) and cerium-containing OMC (Ce-OMC) were prepared using evaporation-induced self-assembly (EISA) method and used to adsorb NO. N2 sorption, X-ray diffraction (XRD) and transmission electron microscopy (TEM) were used to confirm their structures. The results showed that the ordered and uniform structures were successfully synthesized and with the introduction of cerium pore properties were not significantly changed. The NO adsorption capacity of OMC was two times larger than that of activated carbon (AC). With the introduction of cerium both the adsorption capacity and the adsorption rate were improved. The effects of residence time and oxygen concentration on NO adsorption were also investigated. Oxygen played an important role in the NO adsorption (especially in the form of chemisorption) and residence time had small influence on the NO adsorption capacity. The NO adsorption kinetics was analyzed using pseudo-first-order, pseudo-second-order, Elovich equation and intraparticle diffusion models. The results indicated that the NO adsorption process can be divided into rapid adsorption period, slow adsorption period, and equilibrium adsorption period. The pseudo-second-order model was the most suitable model for NO adsorption on OMC and Ce-OMC. The rate controlling step was the intraparticle diffusion together with the adsorption reaction.

3D assembly based on 2D structure of Cellulose Nanofibril/Graphene Oxide Hybrid Aerogel for Adsorptive Removal of Antibiotics in Water

PubMed Central

Yao, Qiufang; Fan, Bitao; Xiong, Ye; Jin, Chunde; Sun, Qingfeng; Sheng, Chengmin

2017-01-01

Cellulose nanofibril/graphene oxide hybrid (CNF/GO) aerogel was fabricated via a one-step ultrasonication method for adsorptive removal of 21 kinds of antibiotics in water. The as-prepared CNF/GO aerogel possesses interconnected 3D network microstructure, in which GO nanosheets with 2D structure were intimately grown along CNF through hydrogen bonds. The aerogel exhibited superior adsorption capacity toward the antibiotics. The removal percentages (R%) of the antibiotics were more than 69% and the sequence of six categories antibiotics according to the adsorption efficiency was as follows: Tetracyclines > Quinolones > Sulfonamides > Chloramphenicols > β-Lactams > Macrolides. The adsorption mechanism was proposed to be electrostatic attraction, p-π interaction, π-π interaction and hydrogen bonds. In detail, the adsorption capacities of CNF/GO aerogel were 418.7 mg·g−1 for chloramphenicol, 291.8 mg·g−1 for macrolides, 128.3 mg·g−1 for quinolones, 230.7 mg·g−1 for β-Lactams, 227.3 mg·g−1 for sulfonamides, and 454.6 mg·g−1 for tetracyclines calculated by the Langmuir isotherm models. Furthermore, the regenerated aerogels still could be repeatedly used after ten cycles without obvious degradation of adsorption performance. PMID:28368045

Volatile organic compound adsorption in a gas-solid fluidized bed.

PubMed

Ng, Y L; Yan, R; Tsen, L T S; Yong, L C; Liu, M; Liang, D T

2004-01-01

Fluidization finds many process applications in the areas of catalytic reactions, drying, coating, combustion, gasification and microbial culturing. This work aims to compare the dynamic adsorption characteristics and adsorption rates in a bubbling fluidized bed and a fixed bed at the same gas flow-rate, gas residence time and bed height. Adsorption with 520 ppm methanol and 489 ppm isobutane by the ZSM-5 zeolite of different particle size in the two beds enabled the differentiation of the adsorption characteristics and rates due to bed type, intraparticle mass transfer and adsorbate-adsorbent interaction. Adsorption of isobutane by the more commonly used activated carbon provided the comparison of adsorption between the two adsorbent types. With the same gas residence time of 0.79 seconds in both the bubbling bed and fixed bed of the same bed size of 40 mm diameter and 48 mm height, the experimental results showed a higher rate of adsorption in the bubbling bed as compared to the fixed bed. Intraparticle mass transfer and adsorbent-adsorbate interaction played significant roles in affecting the rate of adsorption, with intraparticle mass transfer being more dominant. The bubbling bed was observed to have a steeper decline in adsorption rate with respect to increasing outlet concentration compared to the fixed bed. The adsorption capacities of zeolite for the adsorbates studied were comparatively similar in both beds; fluidizing, and using smaller particles in the bubbling bed did not increase the adsorption capacity of the ZSM-5 zeolite. The adsorption capacity of activated carbon for isobutane was much higher than the ZSM-5 zeolite for isobutane, although at a lower adsorption rate. Fourier transform infra-red (FTIR) spectroscopy was used as an analytical tool for the quantification of gas concentration. Calibration was done using a series of standards prepared by in situ dilution with nitrogen gas, based on the ideal gas law and relating partial pressure to gas

Determination of the surface area of smectite in water by ethylene oxide chain adsorption.

PubMed

Yuang, Paul-Cheng; Shen, Yun-Hwei

2005-05-15

This study investigates the feasibility of using ethylene oxide (EO) chain adsorption to determine the surface area of smectite in water. Experimental results indicate that high-molecular-weight poly(ethylene oxide) (PEO) should be used to provide reasonable estimations for monolayer capacity of PEO on smectite. The surface areas of smectites in water are calculated from the monolayer capacity of PEO adsorbed on smectite by taking the area per EO unit as 8.05 A(2). The method measures the actual surface area of smectite exposed when dispersed in water, which is important to applications of smectite under aqueous conditions.

Effect of ammonia and methane adsorption on the electronic structure of undoped and Fe-doped 2D silica: a first-principles calculation

NASA Astrophysics Data System (ADS)

Chibisov, A. N.; Chibisova, M. A.

2018-05-01

Two-dimensional silicon oxide (2D SiO2) is a unique surface phase with interesting optical, structural and electronic properties. In this study, important novel results on the effect of Fe on the structural and electronic properties of 2D SiO2 during adsorption of CH4 and NH3 molecules are presented. Density functional theory calculations are used to investigate the interaction of CH4 and NH3 molecules with silica. The electronic structure and molecules adsorption energy are studied in detail for undoped and Fe-doped surfaces. The results show that adsorption of CH4 and NH3 molecules on the surface decreases the spin polarization of Fe/SiO2. The results are relevant to understanding the adsorption physics of 2D SiO2 for practical usage in modern nanoelectronic sensors for nanotechnology and optoelectronics.

Fixed-bed column performances of azure-II and auramine-O adsorption by Pinus eldarica stalks activated carbon and its composite with zno nanoparticles: Optimization by response surface methodology based on central composite design.

PubMed

Jafari, Maryam; Rahimi, Mahmood Reza; Ghaedi, Mehrorang; Javadian, Hamedreza; Asfaram, Arash

2017-12-01

A continuous adsorption was used for removal of azure II (AZ II) and auramine O (AO) from aqueous solutions using Pinus eldarica stalks activated carbon (PES-AC) from aqueous solutions. The effects of initial dye concentration, flow rate, bed height and contact time on removal percentage of AO and AZ II were evaluated and optimized by central composite design (CCD) at optimum pH = 7.0. ZnO nanoparticles loaded on activated carbon were also used to remove AO and AZ II at pH = 7.0 and other optimum conditions. The breakthrough curves were obtained at different flow rates, initial dye concentrations and bed heights and the experimental data were fitted by Thomas, Adams-Bohart and Yoon-Nelson models. The main parameters of fixed-bed column including its adsorption capacity at breakthrough point (q b ), adsorption capacity at saturation point (q s ), mass transfer zone (MTZ), total removal percentage (R%), and empty bed contact time (EBCT) were calculated. The removal percentages calculated for AZ II and AO II were in the range of 51.6-61.1% and 40.6-61.6%, respectively. Bed adsorption capacity (N 0 ) and critical bed depth (Z 0 ) were obtained by BDST model. Copyright © 2017 Elsevier Inc. All rights reserved.

40 CFR Appendix D to Part 72 - Calculation of Potential Electric Output Capacity

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 17 2013-07-01 2013-07-01 false Calculation of Potential Electric Output Capacity D Appendix D to Part 72 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) PERMITS REGULATION Pt. 72, App. D Appendix D to Part 72—Calculation of...

40 CFR Appendix D to Part 72 - Calculation of Potential Electric Output Capacity

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 17 2014-07-01 2014-07-01 false Calculation of Potential Electric Output Capacity D Appendix D to Part 72 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) PERMITS REGULATION Pt. 72, App. D Appendix D to Part 72—Calculation of...

40 CFR Appendix D to Part 72 - Calculation of Potential Electric Output Capacity

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 16 2010-07-01 2010-07-01 false Calculation of Potential Electric Output Capacity D Appendix D to Part 72 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) PERMITS REGULATION Pt. 72, App. D Appendix D to Part 72—Calculation of...

Adsorption of phenolic compound by aged-refuse.

PubMed

Xiaoli, Chai; Youcai, Zhao

2006-09-01

The adsorption of phenol, 2-chlorophenol, 4-chlorophenol and 2,4-dichlorophenol by aged-refuse has been studied. Adsorption isotherms have been determined for phenol, 2-chlorophenol, 4-chlorophenol and 2,4-dichlorophenol and the data fits well to the Freundlich equation. The chlorinated phenols are absorbed more strongly than the phenol and the adsorption capacity has an oblivious relationship with the numbers and the position of chlorine subsistent. The experiment data suggests that both the partition function and the chemical adsorption involve in the adsorption process. Pseudo-first-order and pseudo-second-order model were applied to investigate the kinetics of the adsorption and the results show that it fit the pseudo-second-order model. More than one step involves in the adsorption process and the overall rate of the adsorption process appears to be controlled by the chemical reaction. The thermodynamic analysis indicates that the adsorption is spontaneous and endothermic.

Effect of humic acid preloading on phosphate adsorption onto zirconium-modified zeolite.

PubMed

Lin, Jianwei; Zhang, Zhe; Zhan, Yanhui

2017-05-01

A zirconium-modified zeolite (ZrMZ) was prepared, and then, humic acid (HA) was immobilized on the ZrMZ surface to prepare HA-loaded ZrMZ (HA-ZrMZ). The obtained ZrMZ and HA-ZrMZ were characterized by energy dispersive X-ray spectroscopy, elemental analyzer, N 2 adsorption/desorption isotherms, pH at the point of zero charge, and X-ray photoelectron spectroscopy. The adsorption characteristics of phosphate on ZrMZ and HA-ZrMZ were comparatively investigated in batch mode. The adsorption mechanism of phosphate on ZrMZ and HA-ZrMZ was investigated by ionic strength effect and 31 P nuclear magnetic resonance. The mechanism for phosphate adsorption onto ZrMZ was the formation of inner-sphere phosphate complexes at the solid/solution interface. The preloading of HA on ZrMZ reduced the phosphate adsorption capacity, and the more the HA loading amount, the lower the phosphate adsorption capacity. However, the preloading of HA on ZrMZ did not change the phosphate adsorption mechanism; i.e., the formation of inner-sphere phosphate surface complexes was still responsible for the adsorption of phosphate on HA-ZrMZ. The decreased phosphate adsorption capacity for ZrMZ after HA coating could be attributed to the fact that the coating of HA on ZrMZ reduced the amount of binding active sites available for phosphate adsorption, changed the adsorbent surface charges, and reduced the specific surface areas and pore volumes of ZrMZ.

Adsorption of NH4+-N on Chinese loess: Non-equilibrium and equilibrium investigations.

PubMed

Xie, Haijian; Wang, Shaoyi; Qiu, Zhanhong; Jiang, Jianqun

2017-11-01

NH 4 + -N is a crucial pollutant in landfill leachate and can be in high concentrations for a long period of time due to anaerobic condition of landfills. The adsorption properties of NH 4 + -N on the Chinese loess were investigated using Batch test. The influences of ammonium concentration, temperature, reaction time, slurry concentration, and pH on the adsorption process are evaluated. Adsorption kinetics and isotherm behaviors were studied by applying different models to the test data to determine the adsorption parameters. The equilibrating duration was shown to be less than 60 min. The data on adsorption kinetics can be well fitted by the pseudo-second-order kinetics model. According to the Langmuir isotherm model, the adsorption capacity of Chinese loess about NH 4 + -N was predicted to be 72.30 mg g -1 . The uptake of NH 4 + -N by Chinese loess was considered to be the type of physical adsorption on the basis of D-R isotherm analysis. The optimal pH and slurry concentration are 4 and 2 g/50 ml, respectively. According to the calculated values of free energy, enthalpy and entropy change, the adsorption process is determined to be exothermic. The disorder of the system appeared lowest at temperature of 308.15 K. The predicted Gibb's free energies also indicate the adsorption process is endothermic and spontaneous. The FTIR spectrum and EDX analysis showed the adsorption process of NH 4 + involves cation exchange and dissolution of calcite. Copyright © 2017 Elsevier Ltd. All rights reserved.

Adsorption of heavy metal ions by sawdust of deciduous trees.

PubMed

Bozić, D; Stanković, V; Gorgievski, M; Bogdanović, G; Kovacević, R

2009-11-15

The adsorption of heavy metal ions from synthetic solutions was performed using sawdust of beech, linden and poplar trees. The adsorption depends on the process time, pH of the solution, type of ions, initial concentration of metals and the sawdust concentration in suspension. The kinetics of adsorption was relatively fast, reaching equilibrium for less than 20 min. The adsorption equilibrium follows Langmuir adsorption model. The ion exchange mechanism was confirmed assuming that the alkali-earth metals from the adsorbent are substituted by heavy metal ions and protons. On lowering the initial pH, the adsorption capacity decreased, achieving a zero value at a pH close to unity. The maximum adsorption capacity (7-8 mg g(-1) of sawdust) was achieved at a pH between 3.5 and 5 for all the studied kinds of sawdust. The initial concentration of the adsorbate and the concentration of sawdust strongly affect the process. No influence of particles size was evidenced. A degree of adsorption higher than 80% can be achieved for Cu(2+) ions but it is very low for Fe(2+) ions, not exceeding 10%.

Adsorption of Cr(VI) on cerium immobilized cross-linked chitosan composite in single system and coexisted with Orange II in binary system.

PubMed

Zhu, Tianyi; Huang, Wei; Zhang, Lingfan; Gao, Jie; Zhang, Wenqing

2017-10-01

In this work, cerium immobilized cross-linked chitosan (CTS-Ce) composite, employed as an efficient adsorbent for Cr(VI) in single system and coexisted with Orange II (OII) in binary system, was prepared by co-precipitation method. The as-obtained adsorbent was characterized by FTIR, SEM, EDS and XPS before and after adsorption. The adsorption behaviors of Cr(VI) in single and binary system were systematically studied. The maximum adsorption capacity of Cr(VI) on CTS-Ce (202.8mg/g) was calculated by Langmuir equation in single metal system, but it decreased to 112.9mg/g with initial concentration of 100mg/L OII in binary system at pH 2 and 293K. The adsorption data for Cr(VI) followed the Langmuir model in single system, while fitted Temkin model well in binary system. In both single and binary system, the kinetics of adsorption exhibited pseudo-second order behavior and adsorption capacity increased with increasing temperature. Moreover, the data of thermodynamic parameters (ΔG°<0, ΔH°>0) indicated that the adsorption was a spontaneous and endothermic process. Besides, |ΔG Cr |>|ΔG Cr-OII | at the same temperature further suggested that Cr(VI) was adsorbed on the CTS-Ce composite faster in binary system than in single system. Copyright © 2017 Elsevier B.V. All rights reserved.

Preparation of granular activated carbons from yellow mombin fruit stones for CO2 adsorption.

PubMed

Fiuza, Raildo Alves; Medeiros de Jesus Neto, Raimundo; Correia, Laise Bacelar; Carvalho Andrade, Heloysa Martins

2015-09-15

Stones of yellow mombin, a native fruit of the tropical America and West Indies, were used as starting materials to produce activated carbons, subsequently used as adsorbent for CO2 capture. The carbonaceous materials were either chemically activated with HNO3, H3PO4 and KOH or physically activated with CO2. The carbon samples were characterized by SEM, EDX, TG/DTA, Raman spectroscopy, physical adsorption for textural analysis and by acid-base titrations. The CO2 adsorption capacity and adsorption cycles were investigated by TG. The results indicate that the capacity of CO2 adsorption may be maximized on highly basic surfaces of micropores smaller than 1 nm. The KOH activated carbon showed high and stable capacity of CO2 adsorption after 10 cycles. Copyright © 2015 Elsevier Ltd. All rights reserved.

Tungsten oxide--fly ash oxide composites in adsorption and photocatalysis.

PubMed

Visa, Maria; Bogatu, Cristina; Duta, Anca

2015-05-30

A novel composite based on tungsten oxide and fly ash was hydrothermally synthetized to be used as substrate in the advanced treatment of wastewaters with complex load resulted from the textile industry. The proposed treatment consists of one single step process combining photocatalysis and adsorption. The composite's crystalline structure was investigated by X-ray diffraction and FTIR, while atomic force microscopy (AFM) and scanning electron microscopy (SEM) were used to analyze the morphology. The adsorption capacity and photocatalytic properties of the material were tested on mono- and multi-pollutants systems containing two dyes (Bemacid Blau - BB and Bemacid Rot - BR) and one heavy metal ion-Cu(2+), and the optimized process conditions were identified. The results indicate better removal efficiencies using the novel composite material in the combined adsorption and photocatalysis, as compared to the separated processes. Dyes removal was significantly enhanced in the photocatalytic process by adding hydrogen peroxide and the mechanism was presented and discussed. The pseudo second order kinetics model best fitted the experimental data, both in the adsorption and in the combined processes. The kinetic parameters were calculated and correlated with the properties of the composite substrate. Copyright © 2015 Elsevier B.V. All rights reserved.

Methane and CO2 Adsorption Capacities of Kerogen in the Eagle Ford Shale from Molecular Simulation.

PubMed

Psarras, Peter; Holmes, Randall; Vishal, Vikram; Wilcox, Jennifer

2017-08-15

Over the past decade, the United States has become a world leader in natural gas production, thanks in part to a large-fold increase in recovery from unconventional resources, i.e., shale rock and tight oil reservoirs. In an attempt to help mitigate climate change, these depleted formations are being considered for their long-term CO 2 storage potential. Because of the variability in mineral and structural composition from one formation to the next (even within the same region), it is imperative to understand the adsorption behavior of CH 4 and CO 2 in the context of specific conditions and pore surface chemistry, i.e., relative total organic content (TOC), clay, and surface functionality. This study examines two Eagle Ford shale samples, both recovered from shale that was extracted at depths of approximately 3800 m and having low clay content (i.e., less than 5%) and similar mineral compositions but distinct TOCs (i.e., 2% and 5%, respectively). Experimentally validated models of kerogen were used to the estimate CH 4 and CO 2 adsorption capacities. The pore size distributions modeled were derived from low-pressure adsorption isotherm data using CO 2 and N 2 as probe gases for micropores and mesopores, respectively. Given the presence of water in these natural systems, the role of surface chemistry on modeled kerogen pore surfaces was investigated. Several functional groups associated with surface-dissociated water were considered. Pressure conditions from 10 to 50 bar were investigated using grand canonical Monte Carlo simulations along with typical outgassing temperatures used in many shale characterization and adsorption studies (i.e., 60 and 250 °C). Both CO 2 and N 2 were used as probe gases to determine the total pore volume available for gas adsorption spanning pore diameters ranging from 0.3 to 30 nm. The impacts of surface chemistry, outgassing temperature, and the inclusion of nanopores with diameters of less than 1.5 nm were determined for applications

[Adsorption of Cu on Core-shell Structured Magnetic Particles: Relationship Between Adsorption Performance and Surface Properties].

PubMed

Li, Qiu-mei; Chen, Jing; Li, Hai-ning; Zhang, Xiao-lei; Zhang, Gao-sheng

2015-12-01

In order to reveal the relationship between the adsorption performance of adsorbents and their compositions, structure, and surface properties, the core-shell structured Fe₃O₄/MnO2 and Fe-Mn/Mn₂2 magnetic particles were systematically characterized using multiple techniques and their Cu adsorption behaviors as well as mechanism were also investigated in details. It was found that both Fe₃O4 and Fe-Mn had spinel structure and no obvious crystalline phase change was observed after coating with MnO₂. The introduction of Mn might improve the affinity between the core and the shell, and therefore enhanced the amount and distribution uniformity of the MnO₂ coated. Consequently, Fe-Mn/MnO₂ exhibited a higher BET specific surface area and a lower isoelectric point. The results of sorption experiments showed that Fe-Mn had a higher maximal Cu adsorption capacity of 33.7 mg · g⁻¹ at pH 5.5, compared with 17.5 mg · g⁻¹ of Fe₃O4. After coating, the maximal adsorption capacity of Fe-Mn/MnO₂ was increased to 58.2 mg · g⁻¹, which was 2.6 times as high as that of Fe₃O₄/MnO₂ and outperformed the majority of magnetic adsorbents reported in literature. In addition, a specific adsorption of Cu occurred at the surface of Fe₃O₄/MnO₂ or Fe-Mn/MnO₂ through the formation of inner-sphere complexes. In conclusion, the adsorption performance of the magnetic particles was positively related to their compositions, structure, and surface properties.

Adsorption of octylamine on titanium dioxide

NASA Astrophysics Data System (ADS)

Siwińska, Daria; Kołodziejczak-Radzimska, Agnieszka; Krysztafkiewicz, Andrzej; Jesionowski, Teofil

2009-05-01

Processes of adsorption and desorption of a model active substance (octylamine) on the surface of unmodified titanium dioxide (E 171) have been performed. The effects of concentration of octylamine and time of the process on the character of adsorption have been studied and the efficiency of the adsorption/desorption has been determined. The samples obtained have been studied by X-ray diffraction. The nitrogen adsorption/desorption isotherms, particle size distribution and absorption capacities of water, dibutyl phthalate and paraffin oil have been determined. The efficiency of octylamine adsorption on the surface of the titanium dioxide has been found positively correlated with the concentration of octylamine in the initial solution. The desorption of octylamine has decreased with increasing concentration of this compound adsorbed. For octylamine in low concentrations the physical adsorption has been found to dominate, which is desirable when using TiO 2 in the production of pharmaceuticals.

Amination of activated carbon for enhancing phenol adsorption: Effect of nitrogen-containing functional groups

NASA Astrophysics Data System (ADS)

Yang, Guo; Chen, Honglin; Qin, Hangdao; Feng, Yujun

2014-02-01

To study the contribution of different nitrogen-containing functional groups to enhancement of phenol adsorption, the aminated activated carbons (AC) were characterized by N2 adsorption/desorption, XPS, Boehm titration, and pH drift method and tested for adsorption behaviors of phenol. Adsorption isotherm fitting revealed that the Langmuir model was preferred for the aminated ACs. The adsorption capacity per unit surface area (qm/SSABET) was linearly correlated with the amount of pyridinic and pyrrolic N, which suggested that these two functional groups played a critical role in phenol adsorption. The enhancement of adsorption capacity was attributed to the strengthened π-π dispersion between phenol and basal plane of AC by pyridinic, pyrrolic N. The adsorption kinetics was found to follow the pseudo-second-order kinetic model, and intraparticle diffusion was one of the rate-controlling steps in the adsorption process.

Macroscopic and Microscopic Investigation of U(VI) and Eu(III) Adsorption on Carbonaceous Nanofibers.

PubMed

Sun, Yubing; Wu, Zhen-Yu; Wang, Xiangxue; Ding, Congcong; Cheng, Wencai; Yu, Shu-Hong; Wang, Xiangke

2016-04-19

The adsorption mechanism of U(VI) and Eu(III) on carbonaceous nanofibers (CNFs) was investigated using batch, IR, XPS, XANES, and EXAFS techniques. The pH-dependent adsorption indicated that the adsorption of U(VI) on the CNFs was significantly higher than the adsorption of Eu(III) at pH < 7.0. The maximum adsorption capacity of the CNFs calculated from the Langmuir model at pH 4.5 and 298 K for U(VI) and Eu(III) were 125 and 91 mg/g, respectively. The CNFs displayed good recyclability and recoverability by regeneration experiments. Based on XPS and XANES analyses, the enrichment of U(VI) and Eu(III) was attributed to the abundant adsorption sites (e.g., -OH and -COOH groups) of the CNFs. IR analysis further demonstrated that -COOH groups were more responsible for U(VI) adsorption. In addition, the remarkable reducing agents of the R-CH2OH groups were responsible for the highly efficient adsorption of U(VI) on the CNFs. The adsorption mechanism of U(VI) on the CNFs at pH 4.5 was shifted from inner- to outer-sphere surface complexation with increasing initial concentration, whereas the surface (co)precipitate (i.e., schoepite) was observed at pH 7.0 by EXAFS spectra. The findings presented herein play an important role in the removal of radionuclides on inexpensive and available carbon-based nanoparticles in environmental cleanup applications.

Tertiary treatment of landfill leachates by adsorption.

PubMed

Marañón, Elena; Castrillón, Leonor; Fernández-Nava, Yoland; Fernández-Méndez, Alejandro; Fernández-Sánchez, Arcadio

2009-08-01

The leachates produced at the municipal solid waste (MSW) landfill of Asturias (Spain) were submitted to a biological treatment consisting of a pressurized nitrification-denitrification process followed by ultrafiltration. The effluent from this treatment plant has a high chemical oxygen demand : biochemical oxygen demand (COD : BOD( 5)) ratio (about 25 : 1). The COD values of the effluent are above the discharge limits permitted by current legislation and therefore require a final treatment. In the present study, adsorption was investigated as a possible post-treatment. Three activated carbons (Organosorb 10, Organosorb 10MB and Filtracarb CC65/1240) were selected and equilibrium and column data were obtained. The best results were obtained with Organosorb 10MB, although adsorption capacities obtained were low and equilibrium was unfavourable. Adsorption capacities ranged between 150 and 157 mg COD g(-1) for an activated carbon dosage of 1 mg L(-1) and between 13.3 and 18.4 mg COD g(-1) for a dosage of 20 mg L(-1). As regards colour, adsorption capacities ranged between 145 and 175 UPtCo g(-1) for the lower dosage and between 16 and 29 UPtCo g(-1) for the higher dosage. Removal efficiency increased with the dosage of activated carbon employed, obtaining maximum COD and colour removals of 63 and 45%, respectively, for a dosage of 20 mg L(-1) after 5 h contact time.

Equilibrium and kinetics of adsorption of phosphate onto iron-doped activated carbon.

PubMed

Wang, Zhengfang; Nie, Er; Li, Jihua; Yang, Mo; Zhao, Yongjun; Luo, Xingzhang; Zheng, Zheng

2011-08-01

Two series of activated carbons modified by Fe (II) and Fe (III) (denoted as AC/N-Fe(II) and AC/N-Fe(III)), respectively, were used as adsorbents for the removal of phosphate in aqueous solutions. The synthesized adsorbent materials were investigated by different experimental analysis means. The adsorption of phosphate on activated carbons has been studied in kinetic and equilibrium conditions taking into account the adsorbate concentration, temperature, and solution pH as major influential factors. Maximum removals of phosphate are obtained in the pH range of 3.78-6.84 for both adsorbents. Langmuir isotherm adsorption equation well describes the experimental adsorption isotherms. Kinetic studies revealed that the adsorption process followed a pseudo-second order kinetic model. Results suggest that the main phase formed in AC/N-Fe(II) and AC/N-Fe(III) is goethite and akaganeite, respectively; the presence of iron oxides significantly affected the surface area and the pore structure of the activated carbon. Studies revealed that iron-doped activated carbons were effective in removing phosphate. AC/N-Fe(II) has a higher phosphate removal capacity than AC/N-Fe(III), which could be attributed to its better intra-particle diffusion and higher binding energy. The activation energy for adsorption was calculated to be 22.23 and 10.89 kJ mol(-1) for AC/N-Fe(II) and AC/N-Fe(III), respectively. The adsorption process was complex; both surface adsorption and intra-particle diffusion were simultaneously occurring during the process and contribute to the adsorption mechanism.

Molecular-Scale Study of Aspartate Adsorption on Goethite and Competition with Phosphate.

PubMed

Yang, Yanli; Wang, Shengrui; Xu, Yisheng; Zheng, Binghui; Liu, Jingyang

2016-03-15

Knowledge of the interfacial interactions between aspartate and minerals, especially its competition with phosphate, is critical to understanding the fate and transport of amino acids in the environment. Adsorption reactions play important roles in the mobility, bioavailability, and degradation of aspartate and phosphate. Attenuated total reflectance Fourier-transform infrared (ATR-FTIR) measurements and density functional theory (DFT) calculations were used to investigate the interfacial structures and their relative contributions in single-adsorbate and competition systems. Our results suggest three dominant mechanisms for aspartate: bidentate inner-sphere coordination involving both α- and γ-COO(-), outer-sphere complexation via electrostatic attraction and H-bonding between aspartate NH2 and goethite surface hydroxyls. The interfacial aspartate is mainly governed by pH and is less sensitive to changes of ionic strength and aspartate concentration. The phosphate competition significantly reduces the adsorption capacity of aspartate on goethite. Whereas phosphate adsorption is less affected by the presence of aspartate, including the relative contributions of diprotonated monodentate, monoprotonated bidentate, and nonprotonated bidentate structures. The adsorption process facilitates the removal of bioavailable aspartate and phosphate from the soil solution as well as from the sediment pore water and the overlying water.

Cation-exchanged SAPO-34 for adsorption-based hydrocarbon separations: predictions from dispersion-corrected DFT calculations.

PubMed

Fischer, Michael; Bell, Robert G

2014-10-21

The influence of the nature of the cation on the interaction of the silicoaluminophosphate SAPO-34 with small hydrocarbons (ethane, ethylene, acetylene, propane, propylene) is investigated using periodic density-functional theory calculations including a semi-empirical dispersion correction (DFT-D). Initial calculations are used to evaluate which of the guest-accessible cation sites in the chabazite-type structure is energetically preferred for a set of ten cations, which comprises four alkali metals (Li(+), Na(+), K(+), Rb(+)), three alkaline earth metals (Mg(2+), Ca(2+), Sr(2+)), and three transition metals (Cu(+), Ag(+), Fe(2+)). All eight cations that are likely to be found at the SII site (centre of a six-ring) are then included in the following investigation, which studies the interaction with the hydrocarbon guest molecules. In addition to the interaction energies, some trends and peculiarities regarding the adsorption geometries are analysed, and electron density difference plots obtained from the calculations are used to gain insights into the dominant interaction types. In addition to dispersion interactions, electrostatic and polarisation effects dominate for the main group cations, whereas significant orbital interactions are observed for unsaturated hydrocarbons interacting with transition metal (TM) cations. The differences between the interaction energies obtained for pairs of hydrocarbons of interest (such as ethylene-ethane and propylene-propane) deliver some qualitative insights: if this energy difference is large, it can be expected that the material will exhibit a high selectivity in the adsorption-based separation of alkene-alkane mixtures, which constitutes a problem of considerable industrial relevance. While the calculations show that TM-exchanged SAPO-34 materials are likely to exhibit a very high preference for alkenes over alkanes, the strong interaction may render an application in industrial processes impractical due to the large amount

Arsenic Adsorption from Water Using Graphene-Based Materials as Adsorbents: a Critical Review

NASA Astrophysics Data System (ADS)

Yang, Xuetong; Xia, Ling; Song, Shaoxian

2017-07-01

Adsorption is widely applied to remove arsenic from water. This paper reviewed and compared the recent progresses on the arsenic removal by adsorption using two-dimensional and three-dimensional graphene-based materials as adsorbents. Functional graphene sheet achieved the largest As(III) adsorption capacity of 138.79mg/g, while Mg-Al LDH/GO2 showed the largest As(V) adsorption capacity of 183.11mg/g. Parameters including pH, temperature, co-existing ions and loaded metal or metal oxide affected the adsorption process. The adsorption mechanisms of graphene-based materials for As(III) and As(V) could be explained by surface complexation and the electrostatic attraction, respectively. Future works are suggested to focus on regenerating of two-dimensional graphene-based adsorbents and developing the three-dimensional with large specific surface area and better adsorption performance.

Ecological Footprint and Ecosystem Services Models: A Comparative Analysis of Environmental Carrying Capacity Calculation Approach in Indonesia

NASA Astrophysics Data System (ADS)

Subekti, R. M.; Suroso, D. S. A.

2018-05-01

Calculation of environmental carrying capacity can be done by various approaches. The selection of an appropriate approach determines the success of determining and applying environmental carrying capacity. This study aimed to compare the ecological footprint approach and the ecosystem services approach for calculating environmental carrying capacity. It attempts to describe two relatively new models that require further explanation if they are used to calculate environmental carrying capacity. In their application, attention needs to be paid to their respective advantages and weaknesses. Conceptually, the ecological footprint model is more complete than the ecosystem services model, because it describes the supply and demand of resources, including supportive and assimilative capacity of the environment, and measurable output through a resource consumption threshold. However, this model also has weaknesses, such as not considering technological change and resources beneath the earth’s surface, as well as the requirement to provide trade data between regions for calculating at provincial and district level. The ecosystem services model also has advantages, such as being in line with strategic environmental assessment (SEA) of ecosystem services, using spatial analysis based on ecoregions, and a draft regulation on calculation guidelines formulated by the government. Meanwhile, weaknesses are that it only describes the supply of resources, that the assessment of the different types of ecosystem services by experts tends to be subjective, and that the output of the calculation lacks a resource consumption threshold.

Pyrolysis conditions and ozone oxidation effects on ammonia adsorption in biomass generated chars.

PubMed

Kastner, James R; Miller, Joby; Das, K C

2009-05-30

Ammonia adsorbents were generated via pyrolysis of biomass (peanut hulls and palm oil shells) over a range of temperatures and compared to a commercially available activated carbon (AC) and solid biomass residuals (wood and poultry litter fly ash). Dynamic ammonia adsorption studies (i.e., breakthrough curves) were performed using these adsorbents at 23 degrees C from 6 to 17 ppmv NH(3). Of the biomass chars, palm oil char generated at 500 degrees C had the highest NH(3) adsorption capacity (0.70 mg/g, 6 ppmv, 10% relative humidity (RH)), was similar to the AC, and contrasted to the other adsorbents (including the AC), the NH(3) adsorption capacity significantly increased if the relative humidity was increased (4 mg/g, 7 ppmv, 73% RH). Room temperature ozone treatment of the chars and activated carbon significantly increased the NH(3) adsorption capacity (10% RH); resultant adsorption capacity, q (mg/g) increased by approximately 2, 6, and 10 times for palm oil char, peanut hull char (pyrolysis only), and activated carbon, respectively. However, water vapor (73% RH at 23 degrees C) significantly reduced NH(3) adsorption capacity in the steam and ozone treated biomass, yet had no effect on the palm shell char generated at 500 degrees C. These results indicate the feasibility of using a low temperature (and thus low energy input) pyrolysis and activation process for the generation of NH(3) adsorbents from biomass residuals.

Experimental study on removal of NO using adsorption of activated carbon/reduction decomposition of microwave heating.

PubMed

Shuang-Chen, Ma; Yao, Juan-Juan; Gao, Li

2012-01-01

Experimental studies were carried out on flue gas denitrification using activated carbon irradiated by microwave. The effects of microwave irradiation power (reaction temperature), the flow rate of flue gas, the concentration of NO and the flue gas coexisting compositions on the adsorption property of activated carbon and denitrification efficiency were investigated. The results show that: the higher of microwave power, the higher of denitrification efficiency; denitrification efficiency would be greater than 99% and adsorption capacity of NO is relatively stable after seven times regeneration if the microwave power is more than 420 W; adsorption capacity of NO in activated carbon bed is 33.24 mg/g when the space velocity reaches 980 per hour; adsorption capacity declines with increasing of the flow rate of flue gas; the change in denitrification efficiency is not obvious with increasing oxygen content in the flue gas; and the maximum adsorption capacity of NO was observed when moisture in flue gas was about 5.88%. However, the removal efficiency of NO reduces with increasing moisture, and adsorption capacity and removal efficiency of NO reduce with increasing of SO2 concentration in the flue gas.

Synthesis of bilayer MoS{sub 2} nanosheets by a facile hydrothermal method and their methyl orange adsorption capacity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ye, Lijuan; Xu, Haiyan; Zhang, Dingke

2014-07-01

Highlights: • Hexagonal phase of MoS{sub 2} nanosheets was synthesized by a facile hydrothermal method. • FE-SEM and TEM images show the sheets-like morphology of MoS{sub 2}. • Bilayer MoS{sub 2} can be grown under the optimized mole ratio of 2:1 of S:Mo at 180 °C for 50 h. • The MoS{sub 2} nanosheets possess high methyl orange adsorption capacity due to the large surface area. - Abstract: Molybdenum disulfide (MoS{sub 2}) nanosheets have received significant attention recently due to the potential applications for exciting physics and technology. Here we show that MoS{sub 2} nanosheets can be prepared by amore » facile hydrothermal method. The study of the properties of the MoS{sub 2} nanosheets prepared at different conditions suggests that the mole ratio of precursors and hydrothermal time significantly influences the purity, crystalline quality and thermal stability of MoS{sub 2}. X-ray diffraction, Raman spectra and transmission electron microscopy results indicate that bilayer MoS{sub 2} can be grown under an optimized mole ratio of 2:1 of S:Mo at 180 °C for 50 h. Moreover, such ultrathin nanosheets exhibit a prominent photoluminescence and possess high methyl orange adsorption capacity due to the large surface area, which can be potentially used in photodevice and photochemical catalyst.« less

Granular activated carbon adsorption of organic micro-pollutants in drinking water and treated wastewater--Aligning breakthrough curves and capacities.

PubMed

Zietzschmann, Frederik; Stützer, Christian; Jekel, Martin

2016-04-01

Small-scale granular activated carbon (GAC) tests for the adsorption of organic micro-pollutants (OMP) were conducted with drinking water and wastewater treatment plant (WWTP) effluent. In both waters, three influent OMP concentration levels were tested. As long as the influent OMP concentrations are below certain thresholds, the relative breakthrough behavior is not impacted in the respective water. Accordingly, the GAC capacity for OMP is directly proportional to the influent OMP concentration in the corresponding water. The differences between the OMP breakthrough curves in drinking water and WWTP effluent can be attributed to the concentrations of the low molecular weight acid and neutral (LMW) organics of the waters. Presenting the relative OMP concentrations (c/c0) over the specific throughput of the LMW organics (mg LMW organics/g GAC), the OMP breakthrough curves in drinking water and WWTP effluent superimpose each other. This superimposition can be further increased if the UV absorbance at 254 nm (UV254) of the LMW organics is considered. In contrast, using the specific throughput of the dissolved organic carbon (DOC) did not suffice to obtain superimposed breakthrough curves. Thus, the LMW organics are the major water constituent impacting OMP adsorption onto GAC. The results demonstrate that knowing the influent OMP and LMW organics concentrations (and UV254) of different waters, the OMP breakthroughs and GAC capacities corresponding to any water can be applied to all other waters. Copyright © 2016 Elsevier Ltd. All rights reserved.

Electronic Structure Calculations of Ammonia Adsorption on Graphene and Graphene Oxide with Epoxide and Hydroxyl Groups

NASA Astrophysics Data System (ADS)

Nancy Anna Anasthasiya, A.; Khaneja, Mamta; Jeyaprakash, B. G.

2017-10-01

Ammonia adsorption on graphene (G) and graphene oxide (GO) was investigated through density functional theory calculations. In the GO system, the obtained binding energy, band gap, charge transfer and electronic structure revealed that the epoxide (GO-O) and hydroxyl groups (GO-OH) in GO enhance the NH3 adsorption, which leads to the chemisorption of NH3 on GO. The dissociation of NH3 to NH2 and formation of OH was also observed when the O and H atoms were separated at 0.985 Å, 1.019 Å, 1.035 Å, and 1.044 Å for various GO systems. The maximum charge transfer value was found to be 0.054 |e| with the binding energy of 1.143 eV for GO with a single epoxide (GO-1O) group. The charge transfer from NH3 to G or GO and the bond formation in this study agree with the reported experimental results.

Adsorption characteristics of benzene on biosolid adsorbent and commercial activated carbons.

PubMed

Chiang, Hung-Lung; Lin, Kuo-Hsiung; Chen, Chih-Yu; Choa, Ching-Guan; Hwu, Ching-Shyung; Lai, Nina

2006-05-01

This study selected biosolids from a petrochemical waste-water treatment plant as the raw material. The sludge was immersed in 0.5-5 M of zinc chloride (ZnCl2) solutions and pyrolyzed at different temperatures and times. Results indicated that the 1-M ZnCl2-immersed biosolids pyrolyzed at 500 degrees C for 30 min could be reused and were optimal biosolid adsorbents for benzene adsorption. Pore volume distribution analysis indicated that the mesopore contributed more than the macropore and micropore in the biosolid adsorbent. The benzene adsorption capacity of the biosolid adsorbent was 65 and 55% of the G206 (granular-activated carbon) and BPL (coal-based activated carbon; Calgon, Carbon Corp.) activated carbons, respectively. Data from the adsorption and desorption cycles indicated that the benzene adsorption capacity of the biosolid adsorbent was insignificantly reduced compared with the first-run capacity of the adsorbent; therefore, the biosolid adsorbent could be reused as a commercial adsorbent, although its production cost is high.

Surface adsorption of poisonous Pb(II) ions from water using chitosan functionalised magnetic nanoparticles.

PubMed

Christopher, Femina Carolin; Anbalagan, Saravanan; Kumar, Ponnusamy Senthil; Pannerselvam, Sundar Rajan; Vaidyanathan, Vinoth Kumar

2017-06-01

In this study, chitosan functionalised magnetic nano-particles (CMNP) was synthesised and utilised as an effective adsorbent for the removal of Pb(II) ions from aqueous solution. The experimental studies reveal that adsorbent material has finer adsorption capacity for the removal of heavy metal ions. Parameters affecting the adsorption of Pb(II) ions on CMNP, such as initial Pb(II) ion concentration, contact time, solution pH, adsorbent dosage and temperature were studied. The adsorption equilibrium study showed that present adsorption system followed a Freundlich isotherm model. The experimental kinetic studies on the adsorption of Pb(II) ions exhibited that present adsorption process best obeyed with pseudo-first order kinetics. The maximum monolayer adsorption capacity of CMNP for the removal of Pb(II) ions was found to be 498.6 mg g -1 . The characterisation of present adsorbent material was done by FTIR, energy disperse X-ray analysis and vibrating sample magnetometer studies. Thermodynamic parameters such as Gibbs free energy (Δ G °), enthalpy (Δ H °) and entropy (Δ S °) have declared that the adsorption process was feasible, exothermic and spontaneous in nature. Sticking probability reported that adsorption of Pb(II) ions on CMNP was favourable at lower temperature and sticking capacity of Pb(II) ions was very high.

Adsorption kinetic and desorption studies of Cd2+ on Multi-Carboxylic-Functionalized Silica Gel

NASA Astrophysics Data System (ADS)

Li, Min; Wei, Jian; Meng, Xiaojing; Wu, Zhuqiang; Liang, Xiuke

2018-01-01

In the present study, the adsorption behavior of cadmium (II) ion from aqueous solution onto multi-carboxylic-functionalized silica gel (SG-MCF) has been investigated in detail by means of batch and column experiments. Batch experiments were performed to evaluate the effects of contact time on adsorption capacity of cadmium (II) ion. The kinetic data were analyzed on the basis of the pseudo-first-order kinetic and the pseudo-second-order kinetic models and consequently, the pseudo-second-order kinetic can better describe the adsorption process than the pseudo-first-order kinetic model. And the adsorption mechanism of the process was studied by intra-particle and film diffusion, it was found out that the adsorption rate was governed primarily by film diffusion to the adsorption onto the SG-MCF. In addition, column experiments were conducted to assess the effects initial inlet concentration and the flow rate on breakthrough time and adsorption capacity ascertaining the practical applicability of the adsorbent. The results suggest that the total amount of adsorbed cadmium (II) ion increased with declined flow rate and increased the inlet concentration. The adsorption-desorption experiment confirmed that adsorption capacity of cadmium (II) ion didn’t present an obvious decrease after five cycles.

Adsorption kinetic and desorption studies of Cu2+ on Multi-Carboxylic-Functionalized Silica Gel

NASA Astrophysics Data System (ADS)

Li, Min; Meng, Xiaojing; Liu, Yushuang; Hu, Xinju; Liang, Xiuke

2018-01-01

In the present study, the adsorption behavior of copper (II) ion from aqueous solution onto multi-carboxylic-functionalized silica gel (SG-MCF) has been investigated in detail by means of batch and column experiments. Batch experiments were performed to evaluate the effects of contact time on adsorption capacity of copper (II) ion. The kinetic data were analyzed on the basis of the pseudo-first-order kinetic and the pseudo-second-order kinetic models and consequently, the pseudo-second-order kinetic can better describe the adsorption process than the pseudo-first-order kinetic model. And the adsorption mechanism of the process was studied by intra-particle and film diffusion, it was found out that the adsorption rate was governed primarily by film diffusion to the adsorption onto the SG-MCF. In addition, column experiments were conducted to assess the effects initial inlet concentration and the flow rate on breakthrough time and adsorption capacity ascertaining the practical applicability of the adsorbent. The results suggest that the total amount of adsorbed copper (II) ion increased with declined flow rate and increased the inlet concentration. The adsorption-desorption experiment confirmed that adsorption capacity of copper (II) ion didn’t present an obvious decrease after five cycles.

Use of cellulose-based wastes for adsorption of dyes from aqueous solutions.

PubMed

Annadurai, Gurusamy; Juang, Ruey-Shin; Lee, Duu-Jong

2002-06-10

Low-cost banana and orange peels were prepared as adsorbents for the adsorption of dyes from aqueous solutions. Dye concentration and pH were varied. The adsorption capacities for both peels decreased in the order methyl orange (MO) > methylene blue (MB) > Rhodamine B (RB) > Congo red (CR) > methyl violet (MV) > amido black 10B (AB). The isotherm data could be well described by the Freundlich and Langmuir equations in the concentration range of 10-120 mg/l. An alkaline pH was favorable for the adsorption of dyes. Based on the adsorption capacity, it was shown that banana peel was more effective than orange peel. Kinetic parameters of adsorption such as the Langergren rate constant and the intraparticle diffusion rate constant were determined. For the present adsorption process intraparticle diffusion of dyes within the particle was identified to be rate limiting. Both peel wastes were shown to be promising materials for adsorption removal of dyes from aqueous solutions.

The Adsorption of Cd(II) on Manganese Oxide Investigated by Batch and Modeling Techniques.

PubMed

Huang, Xiaoming; Chen, Tianhu; Zou, Xuehua; Zhu, Mulan; Chen, Dong; Pan, Min

2017-09-28

Manganese (Mn) oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II) on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II) concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R² > 0.999). The adsorption of Cd(II) on Mn oxide significantly decreased with increasing ionic strength at pH < 5.0, whereas Cd(II) adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II) on Mn oxide at pH < 5.0 and pH > 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II) calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II) on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by ion exchange sites (X₂Cd) at low pH and inner-sphere surface complexation sites (SOCd⁺ and (SO)₂CdOH - species) at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water-mineral interface.

The Adsorption of Cd(II) on Manganese Oxide Investigated by Batch and Modeling Techniques

PubMed Central

Huang, Xiaoming; Chen, Tianhu; Zou, Xuehua; Zhu, Mulan; Chen, Dong

2017-01-01

Manganese (Mn) oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II) on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II) concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R2 > 0.999). The adsorption of Cd(II) on Mn oxide significantly decreased with increasing ionic strength at pH < 5.0, whereas Cd(II) adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II) on Mn oxide at pH < 5.0 and pH > 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II) calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II) on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by ion exchange sites (X2Cd) at low pH and inner-sphere surface complexation sites (SOCd+ and (SO)2CdOH− species) at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water–mineral interface. PMID:28956849

Adsorption enhancement of elemental mercury onto sulphur-functionalized silica gel adsorbents.

PubMed

Johari, Khairiraihanna; Saman, Norasikin; Mat, Hanapi

2014-01-01

In this study, elemental mercury (EM) adsorbents were synthesized using tetraethyl orthosilicate (TEOS) and 3-mercaptopropyl trimethoxysilane as silica precursors. The synthesized silica gel (SG)-TEOS was further functionalized through impregnation with elemental sulphur and carbon disulphide (CS2). The SG adsorbents were then characterized by using scanning electron microscope, Fourier transform infra-red spectrophotometer, nitrogen adsorption/desorption, and energy-dispersive X-ray diffractometer. The EM adsorption of the SG adsorbents was determined using fabricated fixed-bed adsorber. The EM adsorption results showed that the sulphur-functionalized SG adsorbents had a greater Hgo breakthrough adsorption capacity, confirming that the presence of sulphur in silica matrices can improve Hgo adsorption performance due to their high affinity towards mercury. The highest Hgo adsorption capacity was observed for SG-TEOS(CS2) (82.62 microg/g), which was approximately 2.9 times higher than SG-TEOS (28.47 microg/g). The rate of Hgo adsorption was observed higher for sulphur-impregnated adsorbents, and decreased with the increase in the bed temperatures.

EFFECT OF GAC CHARACTERISTICS ON ADSORPTION OF ORGANIC POLLUTANTS

EPA Science Inventory

The impact of the characteristics of granular activated carbon (GAC) on adsorption capacity and on the potential for polymerization of phenolic compounds on the surface of GAC in the presence of molecular oxygen is evaluated in this study. Adsorption isotherm data were collected...

Adsorption Characteristics of Bixin on Acid- and Alkali-Treated Kaolinite in Aprotic Solvents

PubMed Central

Rahmalia, Winda; Fabre, Jean-François; Usman, Thamrin

2018-01-01

The adsorption of bixin in aprotic solvents onto acid- and alkali-treated kaolinite was investigated. Kaolinite was treated three times, for 6 h each, with 8 M HCl or 5 M KOH. The adsorbents were characterized by XRD, FT-IR, EDS, and BET-N2. The effects of contact time and dye concentration on adsorption capacity and kinetics, electronic transition of bixin before and after adsorption, and also mechanism of bixin-kaolinite adsorption were investigated. Dye adsorption followed pseudo-second order kinetics and was faster in acetone than in dimethyl carbonate. The best adsorption results were obtained for KOH-treated kaolinite. In both of the solvents, the adsorption isotherm followed the Langmuir model and adsorption capacity was higher in dimethyl carbonate (q m = 0.43 mg/g) than in acetone (0.29 mg/g). The adsorption capacity and kinetics of KOH-treated kaolinite (q m = 0.43 mg/g, k 2 = 3.27 g/mg·min) were better than those of HCl-treated kaolinite (q m = 0.21 mg/g, k 2 = 0.25 g/mg·min) and natural kaolinite (q m = 0.18 mg/g, k 2 = 0.32 g/mg·min). There are shift in the band position of maximum intensity of bixin after adsorption on this adsorbent. Adsorption in this system seemed to be based essentially on chemisorption due to the electrostatic interaction of bixin with the strong basic and reducing sites of kaolinite. PMID:29581720

Influence of activated carbon characteristics on toluene and hexane adsorption: Application of surface response methodology

NASA Astrophysics Data System (ADS)

Izquierdo, Mª Teresa; de Yuso, Alicia Martínez; Valenciano, Raquel; Rubio, Begoña; Pino, Mª Rosa

2013-01-01

The objective of this study was to evaluate the adsorption capacity of toluene and hexane over activated carbons prepared according an experimental design, considering as variables the activation temperature, the impregnation ratio and the activation time. The response surface methodology was applied to optimize the adsorption capacity of the carbons regarding the preparation conditions that determine the physicochemical characteristics of the activated carbons. The methodology of preparation produced activated carbons with surface areas and micropore volumes as high as 1128 m2/g and 0.52 cm3/g, respectively. Moreover, the activated carbons exhibit mesoporosity, ranging from 64.6% to 89.1% the percentage of microporosity. The surface chemistry was characterized by TPD, FTIR and acid-base titration obtaining different values of surface groups from the different techniques because the limitation of each technique, but obtaining similar trends for the activated carbons studied. The exhaustive characterization of the activated carbons allows to state that the measured surface area does not explain the adsorption capacity for either toluene or n-hexane. On the other hand, the surface chemistry does not explain the adsorption results either. A compromise between physical and chemical characteristics can be obtained from the appropriate activation conditions, and the response surface methodology gives the optimal activated carbon to maximize adsorption capacity. Low activation temperature, intermediate impregnation ratio lead to high toluene and n-hexane adsorption capacities depending on the activation time, which a determining factor to maximize toluene adsorption.

Performance, kinetics, and equilibrium of methylene blue adsorption on biochar derived from eucalyptus saw dust modified with citric, tartaric, and acetic acids.

PubMed

Sun, Lei; Chen, Dongmei; Wan, Shungang; Yu, Zebin

2015-12-01

Biochar derived from eucalyptus saw dust modified with citric, tartaric, and acetic acids at low temperatures was utilized as adsorbent to remove methylene blue (MB) from aqueous solutions. Fourier transform infrared spectroscopy analysis showed that the carboxyl group was introduced on the biochar surface. Adsorption experiment data indicated that eucalyptus saw dust modified with citric acid showed higher MB adsorption efficiency than that modified with tartaric and acetic acids. Pseudo-second-order kinetics was the most suitable model for describing MB adsorption on biochar compared with pseudo-first-order, Elovich, and intraparticle diffusion models. The calculated values of ΔG(0) and ΔH(0) indicated the spontaneous and endothermic nature of the adsorption process. MB adsorption on biochar followed the Langmuir isotherm. The maximum adsorption capacities for eucalyptus saw dust modified with citric, tartaric, and acetic acids were 178.57, 99.01, and 29.94 mg g(-1), respectively, at 35°C. Copyright © 2015 Elsevier Ltd. All rights reserved.

Adsorption of dimethyl trisulfide from aqueous solution on a low-cost adsorbent: thermally activated pinecone

NASA Astrophysics Data System (ADS)

Shang, Jingge; He, Wei; Fan, Chengxin

2015-01-01

Thermally activated pinecone (TAP) was used for the adsorption of dimethyl trisulfide (DMTS) from aqueous solutions, which was proved to be the main odorous in algae-caused black bloom. The effects of adsorbent dosage, adsorbate concentration and contact time on DMTS biosorption were studied. The TAP produced at 600°C exhibited a relatively high surface area (519.69 m2/g) and excellent adsorption capacity. The results show that the adsorption of DMTS was initially fast and that the equilibrium time was 6 h. Higher initial DMTS concentrations led to lower removal percentages but higher adsorption capacity. The removal percentage of DMTS increased and the adsorption capacity of TAP decreased with an increase in adsorbent dosage. The adsorption process conforms well to a pseudo-second-order kinetics model. The adsorption of DMTS is more appropriately described by the Freundlich isotherm ( R 2 =0.996 1) than by the Langmuir isotherm ( R 2 =0.916 9). The results demonstrate that TAP could be an attractive low-cost adsorbent for removing DMTS from water.

BTEX and MTBE adsorption onto raw and thermally modified diatomite.

PubMed

Aivalioti, Maria; Vamvasakis, Ioannis; Gidarakos, Evangelos

2010-06-15

The removal of BTEX (benzene, toluene, ethyl-benzene and xylenes) and MTBE (methyl tertiary butyl ether) from aqueous solution by raw (D(R)) and thermally modified diatomite at 550, 750 and 950 degrees C (D(550), D(750) and D(950) respectively) was studied. Physical characteristics of both raw and modified diatomite such as specific surface, pore volume distribution, porosity and pH(solution) were determined, indicating important structural changes in the modified diatomite, due to exposure to high temperatures. Both adsorption kinetic and isotherm experiments were carried out. The kinetics data proved a closer fit to the pseudo-second order model. Maximum values for the rate constant, k(2), were obtained for MTBE and benzene (48.9326 and 18.0996 g mg(-1)h(-1), respectively) in sample D(550). The isotherm data proved to fit the Freundlich model more closely, which produced values of the isotherm constant 1/n higher than one, indicating unfavorable adsorption. The highest adsorption capacity, calculated through the values of the isotherm constant k(F), was obtained for MTBE (48.42 mg kg(-1) (mg/L)(n)) in sample D(950). Copyright 2010 Elsevier B.V. All rights reserved.

Evaluation of nitrate and phosphate adsorption on Al-modified biochar: Influence of Al content.

PubMed

Yin, Qianqian; Ren, Huaipu; Wang, Ruikun; Zhao, Zhenghui

2018-08-01

Biochars with different Al contents (i.e., 5, 10, 15, and 20 wt%) were prepared to evaluate their adsorption capacities for nitrate (NO 3 - ) and phosphate (PO 4 3- ) from eutrophic water. Several techniques, including N 2 adsorption-desorption, X-ray diffraction, scanning electron microscopy, and Fourier transform infrared spectrometry, were applied to characterize the physical-chemical properties of the biochars. We found that the NO 3 - and PO 4 3- adsorptions significantly improved on the Al-modified biochars because of their multifunctional and surface charge properties. In single-solute adsorption, 15 Al/BC and 20 Al/BC exhibited optimal NO 3 - and PO 4 3- adsorption capacities, respectively. In bi-solute coadsorption, the PO 4 3- adsorption on the biochar was less affected with the coexistence of NO 3 - , whereas the coexistence of PO 4 3- had a significant impact on the NO 3 - adsorption. The optimal solution pH for NO 3 - adsorption was 6, and pH < 6 was advantageous to PO 4 3- adsorption. In the kinetic study, the pseudo-second-order model could describe the NO 3 - and PO 4 3- adsorptions on biochar well, indicating that chemical adsorption was the main adsorption mechanism. The Langmuir-Freundlich model agreed well with the NO 3 - and PO 4 3- adsorptions on the biochars, and the maximum adsorption capacities for NO 3 - and PO 4 3- reached 89.58 mg/g and 57.49 mg/g, respectively. Therefore, the Al-modified biochar was a good choice for the remediation of eutrophic water. Copyright © 2018 Elsevier B.V. All rights reserved.

A Fast and Scalable Algorithm for Calculating the Achievable Capacity of a Wireless Mesh Network

DTIC Science & Technology

2016-04-10

to interference from a given transmission . We then use our algorithm to perform a network capacity analysis comparing different wireless technologies...A Fast and Scalable Algorithm for Calculating the Achievable Capacity of a Wireless Mesh Network Greg Kuperman, Jun Sun, and Aradhana Narula-Tam MIT...the maximum achievable capacity of a multi-hop wireless mesh network subject to interference constraints. Being able to quickly determine the maximum

Adsorption of fluoride to UiO-66-NH2 in water: Stability, kinetic, isotherm and thermodynamic studies.

PubMed

Lin, Kun-Yi Andrew; Liu, Yu-Ting; Chen, Shen-Yi

2016-01-01

To provide safe drinking water, fluoride in water must be removed and adsorption processes appear to be the most widely used method. Metal organic frameworks (MOFs) represent a new class of adsorbents that have been used in various adsorption applications. To study the adsorption mechanism of fluoride to MOFs in water and obtain related adsorption parameters, we synthesized a zirconium-based MOF with a primary amine group on its ligand, named UiO-66-NH2. The kinetics, adsorption isotherm and thermodynamics of fluoride adsorption to UiO-66-NH2 were investigated. The crystalline structure of UiO-66-NH2 remained intact and the local structure of zirconium in UiO-66-NH2 did not change significantly after being exposed to fluoride. The kinetics of the fluoride adsorption in UiO-66-NH2 could be well represented by the pseudo second order rate law. The enthalpy of the adsorption indicates that the F(-) adsorption to UiO-66-NH2 was classified as a physical adsorption. However, the comparison between the adsorption capacities of UiO-66-NH2 and UiO-66 suggests that the fluoride adsorption to UiO-66-NH2 might primarily involve a strong interaction between F(-) and the metal site. The fluoride adsorption capacity of UiO-66-NH2 was found to decrease when pH>7. While the presence of chloride/bromide ions did not noticeably change the adsorption capacity of UiO-66-NH2, the ionic surfactants slightly affected the adsorption capacity of UiO-66-NH2. These findings provide insights to further optimize the adsorption process for removal of fluoride using zirconium-based MOFs. Copyright © 2015 Elsevier Inc. All rights reserved.

Macromolecule simulation and CH4 adsorption mechanism of coal vitrinite

NASA Astrophysics Data System (ADS)

Yu, Song; Yan-ming, Zhu; Wu, Li

2017-02-01

The microscopic mechanism of interactions between CH4 and coal macromolecules is of significant practical and theoretical importance in CBM development and methane storage. Under periodic boundary conditions, the optimal energy configuration of coal vitrinite, which has a higher torsion degree and tighter arrangement, can be determined by the calculation of molecular mechanics (MM) and molecular dynamics (MD), and annealing kinetics simulation based on ultimate analysis, 13C NMR, FT IR and HRTEM. Macromolecular stabilization is primarily due to the van der Waals energy and covalent bond energy, mainly consisting of bond torsion energy and bond angle energy. Using the optimal configuration as the adsorbent, GCMC simulation of vitrinite adsorption of CH4 is conducted. A saturated state is reached after absorbing 17 CH4s per coal vitrinite molecule. CH4 is preferentially adsorbed on the edge, and inclined to gathering around the branched chains of the inner vitrinite sites. Finally, the adsorption parameters are calculated through first principle DFT. The adsorbability order is as follows: aromatic structure> heteroatom rings > oxygen functional groups. The adsorption energy order is as follows: Top < Bond < Center, Up < Down. The order of average RDF better reflects the adsorption ability and that of [-COOH] is lower than those of [sbnd Cdbnd O] and [Csbnd Osbnd C]. CH4 distributed in the distance of 0.99-16 Å to functional groups in the type of monolayer adsorption and the average distance order manifest as [sbnd Cdbnd O] (1.64 Å) < [Csbnd Osbnd C] (1.89 Å) < [sbnd COOH] (3.78 Å) < [-CH3] (4.11 Å) according to the average RDF curves. CH4 enriches around [sbnd Cdbnd O] and [Csbnd O-C] whereas is rather dispersed about [-COOH] and [CH3]. Simulation and experiment data are both in strong agreement with the Langmuir and D-A isothermal adsorption model and the D-A model fit better than Langmuir model. Preferential adsorption sites and orientations in vitrinite are

Preparation of activated carbon from a renewable bio-plant of Euphorbia rigida by H 2SO 4 activation and its adsorption behavior in aqueous solutions

NASA Astrophysics Data System (ADS)

Gerçel, Özgül; Özcan, Adnan; Özcan, A. Safa; Gerçel, H. Ferdi

2007-03-01

The use of activated carbon obtained from Euphorbia rigida for the removal of a basic textile dye, which is methylene blue, from aqueous solutions at various contact times, pHs and temperatures was investigated. The plant material was chemically modified with H 2SO 4. The surface area of chemically modified activated carbon was 741.2 m 2 g -1. The surface characterization of both plant- and activated carbon was undertaken using FTIR spectroscopic technique. The adsorption process attains equilibrium within 60 min. The experimental data indicated that the adsorption isotherms are well described by the Langmuir equilibrium isotherm equation and the calculated adsorption capacity of activated carbon was 114.45 mg g -1 at 40° C. The adsorption kinetics of methylene blue obeys the pseudo-second-order kinetic model and also followed by the intraparticle diffusion model up to 60 min. The thermodynamic parameters such as Δ G°, Δ H° and Δ S° were calculated to estimate the nature of adsorption. The activation energy of the system was calculated as 55.51 kJ mol -1. According to these results, prepared activated carbon could be used as a low-cost adsorbent to compare with the commercial activated carbon for the removal textile dyes from textile wastewater processes.

A Multifaceted Study of Methane Adsorption in Metal-Organic Frameworks by Using Three Complementary Techniques.

PubMed

Zhang, Yue; Lucier, Bryan E G; Fischer, Michael; Gan, Zhehong; Boyle, Paul D; Desveaux, Bligh; Huang, Yining

2018-03-25

Methane is a promising clean and inexpensive energy alternative to traditional fossil fuels, however, its low volumetric energy density at ambient conditions has made devising viable, efficient methane storage systems very challenging. Metal-organic frameworks (MOFs) are promising candidates for methane storage. In order to improve the methane storage capacity of MOFs, a better understanding of the methane adsorption, mobility, and host-guest interactions within MOFs must be realized. In this study, methane adsorption within α-Mg 3 (HCO 2 ) 6 , α-Zn 3 (HCO 2 ) 6 , SIFSIX-3-Zn, and M-MOF-74 (M=Mg, Zn, Ni, Co) has been comprehensively examined. Single-crystal X-ray diffraction (SCXRD) experiments and DFT calculations of the methane adsorption locations were performed for α-Mg 3 (HCO 2 ) 6 , α-Zn 3 (HCO 2 ) 6 , and SIFSIX-3-Zn. The SCXRD thermal ellipsoids indicate that methane possesses significant mobility at the adsorption sites in each system. 2 H solid-state NMR (SSNMR) experiments targeting deuterated CH 3 D guests in α-Mg 3 (HCO 2 ) 6 , α-Zn 3 (HCO 2 ) 6 , SIFSIX-3-Zn, and MOF-74 yield an interesting finding: the 2 H SSNMR spectra of methane adsorbed in these MOFs are significantly influenced by the chemical shielding anisotropy in addition to the quadrupolar interaction. The chemical shielding anisotropy contribution is likely due mainly to the nuclear independent chemical shift effect on the MOF surfaces. In addition, the 2 H SSNMR results and DFT calculations strongly indicate that the methane adsorption strength is linked to the MOF pore size and that dispersive forces are responsible for the methane adsorption in these systems. This work lays a very promising foundation for future studies of methane adsorption locations and dynamics within adsorbent MOF materials. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Selective adsorption of thiophene and 1-benzothiophene on metal-ion-exchanged zeolites in organic medium.

PubMed

Xue, Mei; Chitrakar, Ramesh; Sakane, Kohji; Hirotsu, Takahiro; Ooi, Kenta; Yoshimura, Yuji; Feng, Qi; Sumida, Naoto

2005-05-15

Adsorption of the organic sulfur compounds thiophene (TP) and 1-benzothiophene (1-BTP) in an organic model solution of hydrodesulfurizated gasoline (heptane with 1 wt% toluene and 0.156 mM (5 ppmw as sulfur) TP or 1-BTP) was studied by a batch method at 80 degrees C using metal-ion-exchanged Y-zeolites. Although NaY-zeolite or its acid-treated material rarely adsorbed the organic sulfur compounds, NaY-zeolites exchanged with Ag+, Cu2+, and Ce3+ ions and NH(4)Y-zeolites exchanged with Ce3+ ions showed markedly high adsorptive capacities for TP and 1-BTP. The sulfur uptake increased in the order CuY-zeolite(Na)adsorption isotherms for TP and 1-BTP followed the Langmuir's relationship and the saturation capacities by CeY-zeolite(Na) were calculated as 0.022 and 0.033 mmol/g, respectively. The mole ratios of TP/Ce and 1-BTP/Ce were 0.031 and 0.047, respectively. CeY-zeolite(NH4) which was prepared from NH4Y-zeolite showed less uptake of TP and 1-BTP than CeY-zeolite(Na), probably due to its lower cerium content.

Adsorptive removal of naproxen and clofibric acid from water using metal-organic frameworks.

PubMed

Hasan, Zubair; Jeon, Jaewoo; Jhung, Sung Hwa

2012-03-30

Adsorptive removal of naproxen and clofibric acid, two typical PPCPs (pharmaceuticals and personal care products), has been studied using metal-organic frameworks (MOFs) for the first time. The removal efficiency decreases in the order of MIL-101>MIL-100-Fe>activated carbon both in adsorption rate and adsorption capacity. The adsorption kinetics and capacity of PPCPs generally depend on the average pore size and surface area (or pore volume), respectively, of the adsorbents. The adsorption mechanism may be explained with a simple electrostatic interaction between PPCPs and the adsorbent. Finally, it can be suggested that MOFs having high porosity and large pore size can be potential adsorbents to remove harmful PPCPs in contaminated water. Copyright © 2012 Elsevier B.V. All rights reserved.

Functionalized mesoporous materials for adsorption and release of different drug molecules: A comparative study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang Gang; Otuonye, Amy N.; Blair, Elizabeth A.

2009-07-15

The adsorption capacity and release properties of mesoporous materials for drug molecules can be improved by functionalizing their surfaces with judiciously chosen organic groups. Functionalized ordered mesoporous materials containing various types of organic groups via a co-condensation synthetic method from 15% organosilane and by post-grafting organosilanes onto a pre-made mesoporous silica were synthesized. Comparative studies of their adsorption and release properties for various model drug molecules were then conducted. Functional groups including 3-aminopropyl, 3-mercaptopropyl, vinyl, and secondary amine groups were used to functionalize the mesoporous materials while rhodamine 6G and ibuprofen were utilized to investigate the materials' relative adsorption andmore » release properties. The self-assembly of the mesoporous materials was carried out in the presence of cetyltrimethylammonium bromide (CTAB) surfactant, which produced MCM-41 type materials with pore diameters of {approx}2.7-3.3 nm and moderate to high surface areas up to {approx}1000 m{sup 2}/g. The different functional groups introduced into the materials dictated their adsorption capacity and release properties. While mercaptopropyl and vinyl functionalized samples showed high adsorption capacity for rhodamine 6G, amine functionalized samples exhibited higher adsorption capacity for ibuprofen. While the diffusional release of ibuprofen was fitted on the Fickian diffusion model, the release of rhodamine 6G followed Super Case-II transport model. - Graphical abstract: The adsorption capacity and release properties of mesoporous materials for various drug molecules are tuned by functionalizing the surfaces of the materials with judiciously chosen organic groups. This work reports comparative studies of the adsorption and release properties of functionalized ordered mesoporous materials containing different hydrophobic and hydrophilic groups that are synthesized via a co-condensation and post

Adsorptive Removal of Cadmium (II) from Aqueous Solution by Multi-Carboxylic-Functionalized Silica Gel: Equilibrium, Kinetics and Thermodynamics

NASA Astrophysics Data System (ADS)

Li, Min; Meng, Xiaojing; Yuan, Jinhai; Deng, Wenwen; Liang, Xiuke

2018-01-01

In the present study, the adsorption behavior of cadmium (II) ion from aqueous solution onto multi-carboxylic-functionalized silica gel (SG-MCF) has been investigated in detail by means of batch and column experiments. Batch experiments were performed to evaluate the effects of various experimental parameters such as pH value, contact time and initial concentration on adsorption capacity of cadmium (II) ion. The kinetic data were analyzed on the basis of the pseudo-first-order kinetic and the pseudo-second-order kinetic models and consequently, the pseudo-second-order kinetic can better describe the adsorption process than the pseudo-first-order kinetic model. Equilibrium isotherms for the adsorption of cadmium (II) ion were analyzed by Freundlich and Langmuir isotherm models, the results indicate that Langmuir isotherm model was found to be credible to express the data for cadmium (II) ion from aqueous solution onto the SG-MCF. Various thermodynamics parameters of the adsorption process, including free energy of adsorption (ΔG0 ), the enthalpy of adsorption (ΔH0 ) and standard entropy changes (ΔS0 ), were calculated to predict the nature of adsorption. The positive value of the enthalpy change and the negative value of free energy change indicate that the process is endothermic and spontaneous process.

Adsorptive removal of ascertained and suspected endocrine disruptors from aqueous solution using plant-derived materials.

PubMed

Loffredo, Elisabetta; Taskin, Eren

2017-08-01

The present study deals with the use of low-cost plant-derived materials, namely a biochar, spent coffee grounds, spent tea leaves, and a compost humic acid, for the adsorptive removal from water of two estrogens, 4-tert-octylphenol (OP) and 17-β-estradiol (E2), and two pesticides, carbaryl and fenuron, each spiked at a concentration of 1 mg L -1 . Kinetics and adsorption isotherms have been performed using a batch equilibrium method to measure the sorption capacities of the adsorbents towards the four molecules. Adsorption constants were calculated using the linear, Freundlich, and Langmuir models. Kinetics data obtained evidenced a rapid adsorption of each compound onto both biochar and coffee grounds with the attainment of a steady-state equilibrium in less than 4 h. Significant differences among the adsorbents and the compounds were found regarding the model and the extent of adsorption. In general, the estrogens were adsorbed more quickly and in greater amounts than the less hydrophobic pesticides, following the order: OP > E2 > carbaryl > fenuron. The ranges of Freundlich constants obtained for OP, E2, carbaryl, and fenuron onto the sorbents were 5049-2253, 3385-206, 2491-79, and 822-24 L kg -1 , respectively. The maximum values of constants were obtained for biochar, except for OP that was more adsorbed by spent coffee grounds. Adsorption kinetic data followed a pseudo-second-order model, thus indicating the occurrence of chemical interactions between the compounds and the substrates. The remarkable sorption capacities of all adsorbents towards the four molecules suggest the valuable exploitation of these materials for decontamination purposes, such as the treatment of wastewater before a feasible recycle in soil.

[Elimination of carbendazim from fruit conditioning waters by adsorption on different materials].

PubMed

Giry, G; Ayele, J; Gauthier, C

2001-07-01

The main aim of this work is to test different materials (activated carbon and other more "rustic" materials like clay and coal) as potential adsorbents in order to evaluate their adsorption capacity for carbendazime. The experiments were realized with certified carbendazim or with benlate solutions left to change long enough to suppose all the benomyl converted into carbendazim. The results were introduced through adsorption kinetic and isotherm forms or interpreted according to the Langmuir model. They pointed out that final elimination percentages of certified carbendazim don't exceed 55%. But even the activated carbon remains the most effective adsorbent, clay and coal present an interesting adsorption capacity, 45% for clay (but its performance is varied), 35% for coal. The presence of formulation additives has an inhibitive effect whatever the materials is. Some adsorption attempts with clay and coal mixtures (100 mg l(-1) of each one) were realized, there isn't a cumulative adsorption, final percentages of elimination are about 45%. Characterization attempts of the adsorbents pointed out that all the materials have a negative global surface charge. But clay possesses a surface charge far more negative than coal, sodipolary lap of carbendazim can further the adsorption. The measures of surface functions according to Boehm titration and capillary rising technique showed that coal differentiates from the other materials by its high capacity to establish Lifshitz-Van der Waals interactions. Carbendazim molecule can present a dipolary moment which could lead to the formation of hydrogen bonds. But results of capillary rising are to be considered by surface unities that could explain the superior adsorption capacity of clay (internal surface: 800m2 g(-1)).

Adsorption of Cd, Cu and Zn from aqueous solutions onto ferronickel slag under different potentially toxic metal combination.

PubMed

Park, Jong-Hwan; Kim, Seong-Heon; Kang, Se-Won; Kang, Byung-Hwa; Cho, Ju-Sik; Heo, Jong-Soo; Delaune, Ronald D; Ok, Yong Sik; Seo, Dong-Cheol

2016-01-01

Adsorption characteristics of potentially toxic metals in single- and multi-metal forms onto ferronickel slag were evaluated. Competitive sorption of metals by ferronickel slag has never been reported previously. The maximum adsorption capacities of toxic metals on ferronickel were in the order of Cd (10.2 mg g(-1)) > Cu (8.4 mg g(-1)) > Zn (4.4 mg g(-1)) in the single-metal adsorption isotherm and Cu (6.1 mg g(-1)) > Cd (2.3 mg g(-1)) > Zn (0.3 mg g(-1)) in the multi-metal adsorption isotherm. In comparison with single-metal adsorption isotherm, the reduction rates of maximum toxic metal adsorption capacity in the multi-metal adsorption isotherm were in the following order of Zn (93%) > Cd (78%) > Cu (27%). The Freundlich isotherm provides a slightly better fit than the Langmuir isotherm equation using ferronickel slag for potentially toxic metal adsorption. Multi-metal adsorption behaviors differed from single-metal adsorption due to competition, based on data obtained from Freundlich and Langmuir adsorption models and three-dimensional simulation. Especially, Cd and Zn were easily exchanged and substituted by Cu during multi-metal adsorption. Further competitive adsorption studies are necessary in order to accurately estimate adsorption capacity of ferronickel slag for potentially toxic metals in natural environments.

Preparation of CMC-g-P(SPMA) super adsorbent hydrogels: Exploring their capacity for MB removal from waste water.

PubMed

Salama, Ahmed

2018-01-01

A novel superadsorbent anionic hydrogel was synthesized by grafting of poly (3-sulfopropyl methacrylate), P(SPMA), onto carboxymethyl cellulose (CMC). CMC-g-P(SPMA) superadsorbent hydrogel was applied as an efficient and sustainable adsorbent to remove methylene blue (MB) from waste water. Batch adsorption experiments showed that the solution pH had an obvious effect on the adsorption capacity with an optimal sorption pH at 6. The CMC-g-P(SPMA) hydrogel had rapid adsorption kinetics for MB and the adsorption equilibrium reached within 40min. The adsorption kinetics were more accurately described by pseudo second-order model and the Langmuir-fitted adsorption isotherms revealed a maximum capacity of 1675mg/g. The current anionic hydrogel is reusable as the adsorption capacity remained at 89% level after five adsorption-desorption cycles. CMC-g-P(SPMA) hydrogel was presented as a sustainable promising adsorbent with high adsorption capacity and good regenerability for effective cationic dyes removal. Copyright © 2017 Elsevier B.V. All rights reserved.

Adsorptive separation of isobutene and isobutane on Cu3(BTC)2.

PubMed

Hartmann, Martin; Kunz, Sebastian; Himsl, Dieter; Tangermann, Oliver; Ernst, Stefan; Wagener, Alex

2008-08-19

The metal organic framework material Cu3(BTC)2 (BTC = 1,3,5-benzenetricarboxylate) has been synthesized using different routes: under solvothermal conditions in an autoclave, under atmospheric pressure and reflux, and by electrochemical reaction. Although the compounds display similar structural properties as evident from the powder X-ray diffraction (XRD) patterns, they differ largely in specific surface area and total pore volume. Thermogravimetric and chemical analysis support the assumption that pore blocking due to trimesic acid and/or methyltributylammoniummethylsulfate (MTBS) which has been captured in the pore system during reaction is a major problem for the electrochemically synthesized samples. Isobutane and isobutene adsorption has been studied for all samples at different temperatures in order to check the potential of Cu3(BTC)2 for the separation of small hydrocarbons. While the isobutene adsorption isotherms are of type I according to the IUPAC classification, the shape of the isobutane isotherm is markedly different and closer to type V. Adsorption experiments at different temperatures show that a somewhat higher amount of isobutene is adsorbed as compared to isobutane. Nevertheless, the differential enthalpies of adsorption are only different by about 5 kJ/mol, indicating that a strong interaction between the copper centers and isobutene does not drive the observed differences in adsorption capacity. The calculated breakthrough curves of isobutene and isobutane reveal that a low pressure separation is preferred due to the peculiar shape of the isobutane adsorption isotherms. This has been confirmed by preliminary breakthrough experiments using an equimolar mixture of isobutane and isobutene.

Synergistic Effect of Mixed Oxide on the Adsorption of Ammonia with Metal–Organic Frameworks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mounfield, III, William P.; Taborga Claure, Micaela; Agrawal, Pradeep K.

A hydrotalcite-derived MgAl oxide (MMO) was evaluated in combination with the metal–organic frameworks (MOFs) UiO-66 and UiO-66-NH 2 for the adsorption of ammonia. Analysis of the materials’ textural properties after ammonia breakthrough adsorption revealed no change in the PXRD patterns or FTIR spectra; however, a slight decrease in surface area was observed, consistent with the hypothesized presence of strongly adsorbed species after adsorption. UiO-66:MMO and UiO-66-NH 2:MMO composites maintained ammonia adsorption capacity under dry conditions. An almost 2-fold increase in humid ammonia capacity was observed for the UiO-66:MMO composite, far beyond that expected through a linear combination of the twomore » materials’ capacities. As a result, the synergistic effect observed in humid conditions was further investigated with water adsorption experiments, which suggested the effect is the result of the high water affinity of MMO.« less

Synergistic Effect of Mixed Oxide on the Adsorption of Ammonia with Metal–Organic Frameworks

DOE PAGES

Mounfield, III, William P.; Taborga Claure, Micaela; Agrawal, Pradeep K.; ...

2016-06-08

A hydrotalcite-derived MgAl oxide (MMO) was evaluated in combination with the metal–organic frameworks (MOFs) UiO-66 and UiO-66-NH 2 for the adsorption of ammonia. Analysis of the materials’ textural properties after ammonia breakthrough adsorption revealed no change in the PXRD patterns or FTIR spectra; however, a slight decrease in surface area was observed, consistent with the hypothesized presence of strongly adsorbed species after adsorption. UiO-66:MMO and UiO-66-NH 2:MMO composites maintained ammonia adsorption capacity under dry conditions. An almost 2-fold increase in humid ammonia capacity was observed for the UiO-66:MMO composite, far beyond that expected through a linear combination of the twomore » materials’ capacities. As a result, the synergistic effect observed in humid conditions was further investigated with water adsorption experiments, which suggested the effect is the result of the high water affinity of MMO.« less

Removal of nitroimidazole antibiotics from aqueous solution by adsorption/bioadsorption on activated carbon.

PubMed

Rivera-Utrilla, J; Prados-Joya, G; Sánchez-Polo, M; Ferro-García, M A; Bautista-Toledo, I

2009-10-15

The objective of the present study was to analyse the behaviour of activated carbon with different chemical and textural properties in nitroimidazole adsorption, also assessing the combined use of microorganisms and activated carbon in the removal of these compounds from waters and the influence of the chemical nature of the solution (pH and ionic strength) on the adsorption process. Results indicate that the adsorption of nitroimidazoles is largely determined by activated carbon chemical properties. Application of the Langmuir equation to the adsorption isotherms showed an elevated adsorption capacity (X(m)=1.04-2.04 mmol/g) for all contaminants studied. Solution pH and electrolyte concentration did not have a major effect on the adsorption of these compounds on activated carbon, confirming that the principal interactions involved in the adsorption of these compounds are non-electrostatic. Nitroimidazoles are not degraded by microorganisms used in the biological stage of a wastewater treatment plant. However, the presence of microorganisms during nitroimidazole adsorption increased their adsorption on the activated carbon, although it weakened interactions between the adsorbate and carbon surface. In dynamic regime, the adsorptive capacity of activated carbon was markedly higher in surface water and groundwater than in urban wastewaters.

Comparative evaluation of adsorption kinetics of diclofenac and isoproturon by activated carbon.

PubMed

Torrellas, Silvia A; Rodriguez, Araceli R; Escudero, Gabriel O; Martín, José María G; Rodriguez, Juan G

2015-01-01

Adsorption mechanism of diclofenac and isoproturon onto activated carbon has been proposed using Langmuir and Freundlich isotherms. Adsorption capacity and optimum adsorption isotherms were predicted by nonlinear regression method. Different kinetic equations, pseudo-first-order, pseudo-second-order, intraparticle diffusion model and Bangham kinetic model, were applied to study the adsorption kinetics of emerging contaminants on activated carbon in two aqueous matrices.

The effect of moisture on the methane adsorption capacity of shales: A study case in the eastern Qaidam Basin in China

NASA Astrophysics Data System (ADS)

Wang, Lu; Yu, Qingchun

2016-11-01

This study investigated the effects of moisture on high-pressure methane adsorption in carboniferous shales from the Qaidam Basin, China. The shale characteristics, including the organic/inorganic compositions and pore structure (volume and surface) distribution, were obtained using various techniques. Gibbs adsorption measurements were performed over a pressure range up to 6 MPa and temperatures of 308.15 K on dry samples and moisture-equilibrated samples to analyze the correlations between organic/inorganic matter, pore structure, and moisture content on the methane sorption capacity. Compared to dry samples, the sorption capacity of wet samples (0.44-2.52% of water content) is reduced from 19.7 ± 5.3% to 36.1% ± 6.1%. Langmuir fitting is conducted to investigate moisture-dependent variations of adsorbed methane density, Langmuir pressure, and volume. By combining the pore volume and surface distribution analyses, our observations suggested that the main competition sites for CH4-H2O covered pores of approximately 2-7 nm, whereas the effective sites for methane and water were predominantly distributed within smaller (<4 nm) and larger pores (>10 nm), respectively. Regarding the compositional correlations, the impact of moisture on the amount of adsorbed methane shows a roughly linearly decreasing trend with increasing TOC content ranging from 0.62 to 2.88%, whereas the correlation between the moisture effect and various inorganic components is more complicated. Further fitting results indicate that illite/smectite mixed formations are closely related to the methane capacity, whereas the illite content show an evident connection to the pore structural (volume and surface) variations in the presence of moisture.

p-Chlorophenol adsorption on activated carbons with basic surface properties

NASA Astrophysics Data System (ADS)

Lorenc-Grabowska, Ewa; Gryglewicz, Grażyna; Machnikowski, Jacek

2010-05-01

The adsorption of p-chlorophenol (PCP) from aqueous solution on activated carbons (ACs) with basic surface properties has been studied. The ACs were prepared by two methods. The first method was based on the modification of a commercial CWZ AC by high temperature treatment in an atmosphere of ammonia, nitrogen and hydrogen. The second approach comprised the carbonization followed by activation of N-enriched polymers and coal tar pitch using CO 2 and steam as activation agent. The resultant ACs were characterized in terms of porous structure, elemental composition and surface chemistry (pH PZC, acid/base titration, XPS). The adsorption of PCP was carried out from an aqueous solution in static conditions. Equilibrium adsorption isotherm was of L2 type for polymer-based ACs, whereas L3-type isotherm was observed for CWZ ACs series. The Langmuir monolayer adsorption capacity was related to the porous structure and the amount of basic sites. A good correlation was found between the adsorption capacity and the volume of micropores with a width < 1.4 nm for polymer-based ACs. Higher nitrogen content, including that in basic form, did not correspond to the enhanced adsorption of PCP from aqueous solution. The competitive effect of water molecule adsorption on the PCP uptake is discussed.

Adsorption of CO2 from flue gas streams by a highly efficient and stable aminosilica adsorbent.

PubMed

Liu, Shou-Heng; Lin, Yuan-Chung; Chien, Yi-Chi; Hyu, Han-Ren

2011-02-01

Three ordered mesoporous silicas (OMSs) with different pore sizes and pore architectures were prepared and modified with amine functional groups by a postgrafting method. The carbon dioxide (CO2) adsorption on these amine-modified OMSs was measured by using microbalances at 348 K, and their adsorption capacities were found to be 0.2-1.4 mmol g(-1) under ambient pressure using dry 15% CO2. It was found experimentally that the CO2 adsorption capacity and adsorption rate were attributed to the density of amine groups and pore volume, respectively. A simple method is described for the production of densely anchored amine groups on a solid adsorbent invoking direct incorporation of tetraethylenepentamine onto the as-synthesized OMSs. Unlike conventional amine-modified OMSs, which typically show CO2 adsorption capacity less than 2 mmol g(-1), such organic template occluded amine-OMS composites possessed remarkably high CO2 uptake of approximately 4.6 mmol g(-1) at 348 K and 1 atm for a dry 15% CO2/nitrogen feed mixture. The enhancement of 8% in CO2 adsorption capacity was also observed in the presence of 10.6% water vapor. Durability tests done by cyclic adsorption-desorption revealed that these adsorbents also possess excellent stability.

Congo red adsorption from aqueous solutions by using chitosan hydrogel beads impregnated with nonionic or anionic surfactant.

PubMed

Chatterjee, Sudipta; Lee, Dae S; Lee, Min W; Woo, Seung H

2009-09-01

The adsorption performance of CS beads impregnated with triton X-100 (TX-100) as a nonionic surfactant and sodium dodecyl sulfate (SDS) as an anionic surfactant was investigated for the removal of anionic dye (congo red) from aqueous solution. While the adsorption capacity of CS/TX-100 beads was enhanced at all concentrations of TX-100 (0.005-0.1%), the increase in the concentration of SDS above 0.01% in the CS/SDS beads gradually reduced the adsorption capacity of the beads. Equilibrium adsorption isotherm data indicated a good fit to the Sips isotherm model and a heterogeneous adsorption process. The Sips maximum adsorption capacity in dry weight of the CS/TX-100 beads was 378.79 mg/g and 318.47 mg/g for the CS/SDS beads, higher than the 223.25mg/g of the CS beads. Modification of CS beads by impregnation with nonionic surfactant, or even anionic surfactant, at low concentrations is a possible way to enhance adsorption of anionic dye.

Facile synthesis of hydroxy-modified MOF-5 for improving the adsorption capacity of hydrogen by lithium doping.

PubMed

Kubo, Masaru; Hagi, Hayato; Shimojima, Atsushi; Okubo, Tatsuya

2013-11-01

A facile synthesis of partially hydroxy-modified MOF-5 and its improved H2-adsorption capacity by lithium doping are reported. The reaction of Zn(NO3)2·6H2O with a mixture of terephthalic acid (H2BDC) and 2-hydroxyterephthalic acid (H2BDC-OH) in DMF gave hydroxy-modified MOF-5 (MOF-5-OH-x), in which the molar fraction (x) of BDC-OH(2-) was up to 0.54 of the whole ligand. The MOF-5-OH-x frameworks had high BET surface areas (about 3300 m(2) g(-1)), which were comparable to that of MOF-5. We suggest that the MOF-5-OH-x frameworks are formed by the secondary growth of BDC(2-)-rich MOF-5 seed crystals, which are nucleated during the early stage of the reaction. Subsequent Li doping into MOF-5-OH-x results in increased H2 uptake at 77 K and 0.1 MPa from 1.23 to 1.39 wt.% and an increased isosteric heat of H2 adsorption from 5.1-4.2 kJ mol(-1) to 5.5-4.4 kJ mol(-1). Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Characterization of biochars derived from agriculture wastes and their adsorptive removal of atrazine from aqueous solution: A comparative study.

PubMed

Liu, Na; Charrua, Alberto Bento; Weng, Chih-Huang; Yuan, Xiaoling; Ding, Feng

2015-12-01

The physicochemical properties of biochars produced from soybeans (SBB), corn stalks (CSB), rice stalks (RSB), poultry manure (PMB), cattle manure (CMB), and pig manure (PgMB) and their adsorption characteristics of atrazine were investigated. The adsorption capacity increased with the increase of temperature and initial atrazine concentration. More atrazine was removed from basic solutions than acidic solutions, due to the effects of adsorption and hydrolysis. The Freundlich isotherm adsorption parameters indicated that the adsorption capacity decreased in the order SBB>RSB>CMB>CSB>PMB>PgMB, which is associated to the pore volume of biochars. The total pore volume and biochar pH were concluded to play important roles in determining the adsorption capacity, and they may have contributed to physical adsorption mechanisms dominating the overall adsorption process (the low activation energy for all of the biochars). Modified Freundlich and intraparticle diffusion models were used to describe the kinetics of the adsorption process. Copyright © 2015 Elsevier Ltd. All rights reserved.

Hydrothermal Carbonization of Microalgae (Chlorococcum sp.) for Porous Carbons With High Cr(VI) Adsorption Performance.

PubMed

Sun, Yuanyuan; Liu, Chang; Zan, Yifan; Miao, Gai; Wang, Hao; Kong, Lingzhao

2018-04-12

Porous carbon adsorbents were prepared from microalgae (Chlorococcum sp.) via directly hydrothermal carbonization coupled with KOH or NH 3 activation for Cr(VI) adsorption. KOH-activated porous carbons exhibit high Cr(VI) adsorption capacities than those obtained via NH 3 modification (370.37 > 95.70 mg/g). The superior Cr(VI) adsorption capacity is due to high surface areas (1784 m 2 /g) and pore volumes of porous carbon with mesoporous and macroporous structures. The Cr(VI) adsorption result was well fitted to the Langmuir model, showing that the removal of Cr(VI) was attributed to the monolayer adsorption of activity site on carbon surface.

Channel Capacity Calculation at Large SNR and Small Dispersion within Path-Integral Approach

NASA Astrophysics Data System (ADS)

Reznichenko, A. V.; Terekhov, I. S.

2018-04-01

We consider the optical fiber channel modelled by the nonlinear Shrödinger equation with additive white Gaussian noise. Using Feynman path-integral approach for the model with small dispersion we find the first nonzero corrections to the conditional probability density function and the channel capacity estimations at large signal-to-noise ratio. We demonstrate that the correction to the channel capacity in small dimensionless dispersion parameter is quadratic and positive therefore increasing the earlier calculated capacity for a nondispersive nonlinear optical fiber channel in the intermediate power region. Also for small dispersion case we find the analytical expressions for simple correlators of the output signals in our noisy channel.

Effect of Pore Topology and Accessibility on Gas Adsorption Capacity in Zeolitic-Imidazolate Frameworks: Bringing Molecular Simulation Close to Experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Babarao, Ravichandar; Dai, Sheng; Jiang, Deen

2011-01-01

When all cages are assumed to be accessible, popular force fields such as universal force field (UFF) and DREIDING dramatically overpredicted gas adsorption capacity in two widely studied zeolitic-imidazolate frameworks (ZIFs), ZIF-68 and -69. Instead of adjusting the force-field parameters to match the experiments, herein we show that when the pore topology and accessibility are correctly taken into account, simulations with the standard force fields agree very well with the experiments. Careful inspection shows that ZIF-68 and -69 have two one-dimensional channels, which are not interaccessible to gases. The small channel consists of alternating small (HPR) and medium (GME) cages,more » while the large channel comprises the large (KNO) cages. Our analysis indicates that the small channel is not accessible to gases such as CO{sub 2}. So when the cages in the small channel are intentionally blocked in our simulation, the predicted adsorption capacities of CO{sub 2}, CH{sub 4} and N{sub 2} at room temperature from standard force-field parameters for the framework show excellent agreement with the experimental results. In the case of H{sub 2}, all cages are accessible, so simulation results without cage-blocking show excellent agreement with experiment. Due to the promising potential of ZIFs in gas storage and separation, our work here shows that pore topology and accessibility should be carefully examined to understand how gases adsorb in ZIFs.« less

Synthesis and hydrophobic adsorption properties of microporous/mesoporous hybrid materials.

PubMed

Hu, Qin; Li, Jinjun; Qiao, Shizhang; Hao, Zhengping; Tian, Hua; Ma, Chunyan; He, Chi

2009-05-30

Hybrid materials of silicalite-1 (Sil-1)-coated SBA-15 particles (MSs) have been successfully synthesized by crystallization process under hydrothermal conditions. These MSs materials were characterized by X-ray diffraction, nitrogen adsorption/desorption and TEM techniques, which illustrated that the silicalite-1-coated SBA-15 particles were successfully prepared and had large pore volume and hierarchical pore size distribution. Further experimental studies indicated that longer crystallization time under basic condition caused the mesostructure of SBA-15 materials to collapse destructively and higher calcination temperature tended to disrupt the long-range mesoscopic order while they had little influence on the phase of microcrystalline silicalite-1 zeolite. The resultant MSs materials were investigated by estimating dynamic adsorption capacity under dry and wet conditions to evaluate their adsorptive and hydrophobic properties. The hydrophobicity index (HI) value followed the sequence of silicalite-1>MSs>SBA-15, which revealed that the SBA-15 particles coated with the silicalite-1 seeds enhanced the surface hydrophobicity, and also were consistent with FTIR results. Our studies show that MSs materials combined the advantages of the ordered mesoporous material (high adsorptive capacity, large pore volume) and silicalite-1 zeolite (super-hydrophobic property, high hydrothermal stability), and the presence of micropores directly led to an increase in the dynamic adsorption capacity of benzene under dry and wet conditions.

Utilization of Natural Zeolite from Ponorogo and Purworejo for Naphthol Substance Adsorption

NASA Astrophysics Data System (ADS)

Imandiani, Sundus; Indira, Christine; Johan, Anthony; Budiyono

2018-02-01

Indonesia has many zeolite producing areas yet untapped. Researchers developed the utilization of natural zeolites useful for the adsorption of naphthol dyes commonly found in batik waste. In this study researchers used natural zeolites from Purworejo and Ponorogo that are activated using hydrochloric acid that is used for adsorption. The purpose of this research is to know the effect of natural zeolite activation from Ponorogo and Purworejo on the effectiveness of adsorption of naphthol dyes widely used in batik industry. Natural zeolite was activated using HCl concentration of 1.3N; 1.8N; 3.2N; and 3.9N for 60 minutes. The methods are preparation of natural zeolite from Purworejo and Ponorogo, dealumination using hydrochloric acid, adsorption process of naphthol dyes using activated zeolite, and test of adsorption result with uv-vis spectrophotometry. The test results showed that the higher HCl concentration will increase adsorption capacity. This can be known from the concentration of naphthol dye which decreased both using natural zeolite Ponorogo and Purworejo. While the effectiveness of adsorption shows natural zeolite Purworejo has a greater adsorption capacity than Ponorogo with optimum conditions of dealumination using concentration HCl 3,9N.

Experimental study on removals of SO2 and NO(x) using adsorption of activated carbon/microwave desorption.

PubMed

Ma, Shuang-Chen; Yao, Juan-Juan; Gao, Li; Ma, Xiao-Ying; Zhao, Yi

2012-09-01

Experimental studies on desulfurization and denitrification were carried out using activated carbon irradiated by microwave. The influences of the concentrations of nitric oxide (NO) and sulfur dioxide (SO2), the flue gas coexisting compositions, on adsorption properties of activated carbon and efficiencies of desulfurization and denitrification were investigated. The results show that adsorption capacity and removal efficiency of NO decrease with the increasing of SO2 concentrations in flue gas; adsorption capacity of NO increases slightly first and drops to 12.79 mg/g, and desulfurization efficiency descends with the increasing SO2 concentrations. Adsorption capacity of SO2 declines with the increasing of O2 content in flue gas, but adsorption capacity of NO increases, and removal efficiencies of NO and SO2 could be larger than 99%. Adsorption capacity of NO declines with the increase of moisture in the flue gas, but adsorption capacity of SO2 increases and removal efficiencies of NO and SO2 would be relatively stable. Adsorption capacities of both NO and SO2 decrease with the increasing of CO2 content; efficiencies of desulfurization and denitrification augment at the beginning stage, then start to fall when CO2 content exceeds 12.4%. The mechanisms of this process are also discussed. The prominent SO2 and NOx treatment techniques in power plants are wet flue gas desulfurization (FGD) and the catalytic decomposition method like selective catalytic reduction (SCR) or nonselective catalytic reduction (NSCR). However, these processes would have some difficulties in commercial application due to their high investment, requirement of expensive catalysts and large-scale equipment, and so on. A simple SO2 and NOx reduction utilizing decomposition by microwave energy method can be used. The pollutants control of flue gas in the power plants by the method of microwave-induced decomposition using adsorption of activated carbon/microwave desorption can meet the

Temporal changes in nitrogen adsorption properties of single-walled carbon nanotubes

USGS Publications Warehouse

Agnihotri, S.; Rostam-Abadi, M.; Rood, M.J.

2004-01-01

Temporal evolution of N2 adsorption (77 K) properties of as-produced and purified single-walled nanotubes (SWNTs) samples is described here. The N2 adsorption isotherms are used to characterize the samples' surface areas and porosities. The as-produced samples demonstrate a temporal increase in surface area and pore volumes for up to 16 months. The purified samples, however, reached their stable values of surface area and pore volumes within four to seven months. N2 adsorption capacity of the purified SWNTs also increased when the fresh samples were subjected to thermal pre-processing, with diminishing changes in adsorption capacity with increased age. These observations indicate that the freshly prepared SWNTs, both as-produced and purified, were in an unstable state with their porosity changing with increasing sample age and thermal treatments. It is hypothesized that SWNTs undergo slow but progressive changes in their surface chemistry which causes their N2 adsorption properties to change over several months. ?? 2004 Elsevier Ltd. All rights reserved.

Mercury adsorption of modified mulberry twig chars in a simulated flue gas.

PubMed

Shu, Tong; Lu, Ping; He, Nan

2013-05-01

Mulberry twig chars were prepared by pyrolysis, steam activation and impregnation with H2O2, ZnCl2 and NaCl. Textural characteristics and surface functional groups were performed using nitrogen adsorption and FTIR, respectively. Mercury adsorption of different modified MT chars was investigated in a quartz fixed-bed absorber. The results indicated that steam activation and H2O2-impregnation can improve pore structure significantly and H2O2-impregnation and chloride-impregnation promote surface functional groups. However, chloride-impregnation has adverse effect on pore structure. Mercury adsorption capacities of impregnated MT chars with 10% or 30% H2O2 are 2.02 and 1.77 times of steam activated MT char, respectively. Mercury adsorption capacity of ZnCl2-impregnated MT char increase with increasing ZnCl2 content and is better than that of NaCl-impregnated MT char at the same chloride content. The modified MT char (MT873-A-Z5) prepared by steam activation following impregnation with 5% ZnCl2 exhibits a higher mercury adsorption capacity (29.55 μg g(-1)) than any other MT chars. Copyright © 2013 Elsevier Ltd. All rights reserved.

Adsorption of lead onto smectite from aqueous solution.

PubMed

Mhamdi, M; Galai, H; Mnasri, N; Elaloui, E; Trabelsi-Ayadi, M

2013-03-01

The purpose of this research is to study the effect of a new method of adsorption using membrane filtration to determine the maximum amount of lead adsorbed by clay and investigate the behavior of the clay after adsorption of the said metal. Treatment of wastewater contaminated with heavy metals depends on the characteristics of the effluent, the amount of final discharge, the cost of treatment, and the compatibility of the treatment process. The process of adsorption of heavy metals by clays may be a simple, selective, and economically viable alternative to the conventional physical-chemical treatment. This is justified by the importance of the surface developed by this material, the presence of negative charges on the said surface, the possibility of ion exchange taking place, and its wide availability in nature. The removal of lead from wastewater was studied by using the adsorption technique and using clay as the adsorbent. A method was optimized for adsorption through a membrane approaching natural adsorption. This new method is simple, selective, and the lead adsorption time is about 3 days. The various properties of clay were determined. It was observed that the cation exchange capacity of the clay was 56 meq/100 g of hydrated clay for the raw sample and 82 meq/100 g for the purified sample. The total surface area determined by the methylene blue method was equal to 556 and 783 m(2)/g for the raw and purified samples, respectively. The adsorption kinetics depends on several parameters. The Pb(II) clay, obeys the Langmuir, Freundlich, and the Elovich adsorption isotherms with high regression coefficients. The use of this adsorbent notably decreases the cost of treatment. It was concluded that clay shows a strong adsorption capacity on Pb(II), the maximum interaction occurring with purified clay treated at high concentration of lead. It is proposed that this adsorption through a membrane be extended for the treatment of effluents containing other metals.

Enhancing gas adsorption and separation capacity through ligand functionalization of microporous metal-organic framework structures.

PubMed

Zhao, Yonggang; Wu, Haohan; Emge, Thomas J; Gong, Qihan; Nijem, Nour; Chabal, Yves J; Kong, Lingzhu; Langreth, David C; Liu, Hui; Zeng, Heping; Li, Jing

2011-04-26

Hydroxyl- and amino- functionalized [Zn(BDC)(TED)(0.5)]·2DMF·0.2H(2)O leads to two new structures, [Zn(BDC-OH)(TED)(0.5)]·1.5DMF·0.3H(2)O and [Zn(BDC-NH(2))(TED)(0.5)]·xDMF·yH(2)O (BDC=terephthalic acid, TED=triethylenediamine, BDC-OH=2-hydroxylterephthalic acid, BDC-NH(2)=2-aminoterephthalic acid). Single-crystal X-ray diffraction and powder X-ray diffraction studies confirmed that the structures of both functionalized compounds are very similar to that of their parent structure. Compound [Zn(BDC)(TED)(0.5)]·2DMF·0.2H(2)O can be considered a 3D porous structure with three interlacing 1D channels, whereas both [Zn(BDC-OH)(TED)(0.5)]·1.5DMF·0.3H(2)O and [Zn(BDC-NH(2))(TED)(0.5)]·xDMF·yH(2)O contain only 1D open channels as a result of functionalization of the BDC ligand by the OH and NH(2) groups. A notable decrease in surface area and pore size is thus observed in both compounds. Consequently, [Zn(BDC)(TED)(0.5)]·2DMF·0.2H(2)O takes up the highest amount of H(2) at low temperatures. Interestingly, however, both [Zn(BDC-OH)(TED)(0.5)]·1.5DMF·0.3H(2)O and [Zn(BDC-NH(2))(TED)(0.5)]·xDMF·yH(2)O show significant enhancement in CO(2) uptake at room temperature, suggesting that the strong interactions between CO(2) and the functionalized ligands, indicating that surface chemistry, rather than porosity, plays a more important role in CO(2) adsorption. A comparison of single-component CO(2), CH(4), CO, N(2), and O(2) adsorption isotherms demonstrates that the adsorption selectivity of CO(2) over other small gases is considerably enhanced through functionalization of the frameworks. Infrared absorption spectroscopic measurements and theoretical calculations are also carried out to assess the effect of functional groups on CO(2) and H(2) adsorption potentials. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework series

PubMed Central

Rodríguez-Albelo, L. Marleny; López-Maya, Elena; Hamad, Said; Ruiz-Salvador, A. Rabdel; Calero, Sofia; Navarro, Jorge A.R.

2017-01-01

The widespread emissions of toxic gases from fossil fuel combustion represent major welfare risks. Here we report the improvement of the selective sulfur dioxide capture from flue gas emissions of isoreticular nickel pyrazolate metal organic frameworks through the sequential introduction of missing-linker defects and extra-framework barium cations. The results and feasibility of the defect pore engineering carried out are quantified through a combination of dynamic adsorption experiments, X-ray diffraction, electron microscopy and density functional theory calculations. The increased sulfur dioxide adsorption capacities and energies as well as the sulfur dioxide/carbon dioxide partition coefficients values of defective materials compared to original non-defective ones are related to the missing linkers enhanced pore accessibility and to the specificity of sulfur dioxide interactions with crystal defect sites. The selective sulfur dioxide adsorption on defects indicates the potential of fine-tuning the functional properties of metal organic frameworks through the deliberate creation of defects. PMID:28198376

Co-adsorption of Trichloroethylene and Arsenate by Iron-Impregnated Granular Activated Carbon.

PubMed

Deng, Baolin; Kim, Eun-Sik

2016-05-01

Co-adsorption of trichloroethylene (TCE) and arsenate [As(V)] was investigated using modified granular activated carbons (GAC): untreated, sodium hypochlorite-treated (NaClO-GAC), and NaClO with iron-treated GAC (NaClO/Fe-GAC). Batch experiments of single- [TCE or As(V)] and binary- [TCE and As(V)] components solutions are evaluated through Langmuir and Freundlich isotherm models and adsorption kinetic tests. In the single-component system, the adsorption capacity of As(V) was increased by the NaClO-GAC and the NaClO/Fe-GAC. The untreated GAC showed a low adsorption capacity for As(V). Adsorption of TCE by the NaClO/Fe-GAC was maximized, with an increased Freundlich constant. Removal of TCE in the binary-component system was decreased 15% by the untreated GAC, and NaClO- and NaClO/Fe-GAC showed similar efficiency to the single-component system because of the different chemical status of the GAC surfaces. Results of the adsorption isotherms of As(V) in the binary-component system were similar to adsorption isotherms of the single-component system. The adsorption affinities of single- and binary-component systems corresponded with electron transfer, competitive adsorption, and physicochemical properties.

Effective Adsorption/Reduction of Cr(VI) Oxyanion by Halloysite@Polyaniline Hybrid Nanotubes.

PubMed

Zhou, Tianzhu; Li, Cuiping; Jin, Huiling; Lian, Yangyang; Han, Wenmei

2017-02-22

Halloysite@polyaniline (HA@PANI) hybrid nanotubes are synthesized by the in situ chemical polymerization of aniline on halloysite clay nanotubes. By facilely tuning the dopant acid, pH, and apparent weight proportion for aniline (ANI) and halloysite (HA) nanotubes in the synthesis process, PANI with tuned oxidation state, doping extent, and content are in situ growing on halloysite nanotubes. The reaction system's acidity is tuned by dopant acid, such as HCl, H 2 SO 4 , HNO 3 , and H 3 PO 4 . The adsorption result shows the fabricated HA@PANI hybrid nanotubes can effectively adsorb Cr(VI) oxyanion and the adsorption ability changes according to the dopant acid, pH, and apparent weight proportion for ANI and HA in the synthesis process. Among them, the HA@PANI fabricated with HCl as dopant acid tuning the pH at 0.5 and 204% apparent weight proportion for ANI and HA (HP/0.5/204%-HCl) shows the highest adsorption capacity. The adsorption capacity is in accordance well with the doping extent of PANI in HA@PANI. Furthermore, when HP/0.5/204%-HCl is redoped with HNO 3 , H 2 SO 4 , and H 3 PO 4 , the adsorption capacity declines, implying the dopant acid in the process of redoping exhibits a marked effect on Cr(VI) oxyanion adsorption for the HA@PANI hybrid nanotubes. HP/0.5/204%-HCl and HP/0.5/204%-H 3 PO 4 have demonstrated good regenerability with an above 80% removal ratio after four cycles. Moreover, the HA@PANI adsorbent has better sedimentation ability than that of pure PANI. The adsorption behavior is in good agreement with Langmuir and pseudo second-order equations, indicating the adsorption of HA@PANI for Cr(VI) oxyanion is chemical adsorption. FT-IR and XPS of HA@PANI after Cr(VI) oxyanion adsorption indicate that the doped amine/imine groups (-NH + /═N + - groups) are the main adsorption sites for the removal of Cr(VI) oxyanion by electrostatic adsorption and reduction of the adsorbed Cr (VI) oxyanion to Cr(III) simultaneously.

Adsorption of cadmium(II) on waste biomaterial.

PubMed

Baláž, M; Bujňáková, Z; Baláž, P; Zorkovská, A; Danková, Z; Briančin, J

2015-09-15

Significant increase of the adsorption ability of the eggshell biomaterial toward cadmium was observed upon milling, as is evidenced by the value of maximum monolayer adsorption capacity of 329mgg(-1), which is markedly higher than in the case of most "green" sorbents. The main driving force of the adsorption was proven to be the presence of aragonite phase as a consequence of phase transformation from calcite occurring during milling. Cadmium is adsorbed in a non-reversible way, as documented by different techniques (desorption tests, XRD and EDX measurements). The optimum pH for cadmium adsorption was 7. The adsorption process was accompanied by the increase of the value of specific surface area. The course of adsorption has been described by Langmuir, Freundlich and Dubinin-Radushkevich isotherms. The adsorption kinetics was evaluated using three models, among which the best correlation coefficients and the best normalized standard deviation values were achieved for the pseudo-second order model and the intraparticle diffusion model, respectively. Copyright © 2015 Elsevier Inc. All rights reserved.

Modelling equilibrium adsorption of single, binary, and ternary combinations of Cu, Pb, and Zn onto granular activated carbon.

PubMed

Loganathan, Paripurnanda; Shim, Wang Geun; Sounthararajah, Danious Pratheep; Kalaruban, Mahatheva; Nur, Tanjina; Vigneswaran, Saravanamuthu

2018-03-30

Elevated concentrations of heavy metals in water can be toxic to humans, animals, and aquatic organisms. A study was conducted on the removal of Cu, Pb, and Zn by a commonly used water treatment adsorbent, granular activated carbon (GAC), from three single, three binary (Cu-Pb, Cu-Zn, Pb-Zn), and one ternary (Cu-Pb-Zn) combination of metals. It also investigated seven mathematical models on their suitability to predict the metals adsorption capacities. Adsorption of Cu, Pb, and Zn increased with pH with an abrupt increase in adsorption at around pH 5.5, 4.5, and 6.0, respectively. At all pHs tested (2.5-7.0), the adsorption capacity followed the order Pb > Cu > Zn. The Langmuir and Sips models fitted better than the Freundlich model to the data in the single-metal system at pH 5. The Langmuir maximum adsorption capacities of Pb, Cu, and Zn (mmol/g) obtained from the model's fits were 0.142, 0.094, and 0.058, respectively. The adsorption capacities (mmol/g) for these metals at 0.01 mmol/L equilibrium liquid concentration were 0.130, 0.085, and 0.040, respectively. Ideal Adsorbed Solution (IAS)-Langmuir and IAS-Sips models fitted well to the binary and ternary metals adsorption data, whereas the Extended Langmuir and Extended Sips models' fits to the data were poor. The selectivity of adsorption followed the same order as the metals' capacities and affinities of adsorption in the single-metal systems.

Adsorption mechanism of acids and bases in reversed-phase liquid chromatography in weak buffered mobile phases designed for liquid chromatography/mass spectrometry.

PubMed

Gritti, Fabrice; Guiochon, Georges

2009-03-06

The overloaded band profiles of five acido-basic compounds were measured, using weakly buffered mobile phases. Low buffer concentrations were selected to provide a better understanding of the band profiles recorded in LC/MS analyses, which are often carried out at low buffer concentrations. In this work, 10 microL samples of a 50 mM probe solution were injected into C(18)-bonded columns using a series of five buffered mobile phases at (SW)pH between 2 and 12. The retention times and the shapes of the bands were analyzed based on thermodynamic arguments. A new adsorption model that takes into account the simultaneous adsorption of the acidic and the basic species onto the endcapped adsorbent, predicts accurately the complex experimental profiles recorded. The adsorption mechanism of acido-basic compounds onto RPLC phases seems to be consistent with the following microscopic model. No matter whether the acid or the base is the neutral or the basic species, the neutral species adsorbs onto a large number of weak adsorption sites (their saturation capacity is several tens g/L and their equilibrium constant of the order of 0.1 L/g). In contrast, the ionic species adsorbs strongly onto fewer active sites (their saturation capacity is about 1g/L and their equilibrium constant of the order of a few L/g). From a microscopic point of view and in agreement with the adsorption isotherm of the compound measured by frontal analysis (FA) and with the results of Monte-Carlo calculations performed by Schure et al., the first type of adsorption sites are most likely located in between C(18)-bonded chains and the second type of adsorption sites are located deeper in contact with the silica surface. The injected concentration (50 mM) was too low to probe the weakest adsorption sites (saturation capacity of a few hundreds g/L with an equilibrium constant of one hundredth of L/g) that are located at the very interface between the C(18)-bonded layer and the bulk phase.

Evaluating the Adsoptive Capacities of Chemsorb 1000 and Chemsorb 1425

NASA Technical Reports Server (NTRS)

Monje, Oscar Alberto; Surma, Jan M.; Johnsey, Marissa N.; Melendez, Orlando

2014-01-01

The Air Revitalization Lab at KSC tested Chemsorb 1000 and 1425, two candidate sorbents for use in future air revitalization technologies being evaluated by the ARREM project. Chemsorb 1000 and 1425 are granular coconut-shell activated carbon sorbents produced by Molecular Products, Inc. that may be used in the TCCS. Chemsorb 1000 is a high grade activated carbon for organic vapor adsorption. In contrast, Chemsorb 1425 is a high-grade impregnated activated carbon for adsorption of airborne ammonia and amines. Chemsorb 1000 was challenged with simulated spacecraft gas streams in order to determine its adsorptive capacities for mixtures of volatile organics compounds. Chemsorb 1425 was challenged with various NH3 concentrations to determine its adsorptive capacity.

Adsorption-desorption reactions of selenium (VI) in tropical cultivated and uncultivated soils under Cerrado biome.

PubMed

Lessa, J H L; Araujo, A M; Silva, G N T; Guilherme, L R G; Lopes, G

2016-12-01

Soil management may affect selenium (Se) adsorption capacity. This study investigated adsorption and desorption of Se (VI) in selected Brazilian soils from the Cerrado biome, an area of ever increasing importance for agriculture expansion in Brazil. Soil samples were collected from cultivated and uncultivated soils, comprising clayed and sandy soils. Following chemical and mineralogical characterization, soil samples were subjected to Se adsorption and desorption tests. Adsorption was evaluated after a 72-h reaction with increasing concentrations of Se (0-2000 μg L -1 ) added as Na 2 SeO 4 in a NaCl electrolyte solution (pH 5.5; ionic strength 15 mmol L -1 ). Desorption, as well as distribution coefficients (K d ) for selenate were also assessed. Soil management affected Se adsorption capacity, i.e., Se adsorbed amounts were higher for uncultivated soils, when compared to cultivated ones. Such results were also supported by data of K d and maximum adsorption capacity of Se. This fact was attributed mainly to the presence of greater amounts of competing anions, especially phosphate, in cultivated soils, due to fertilizer application. Phosphate may compete with selenate for adsorption sites, decreasing Se retention. For the same group of soils (cultivated and uncultivated), Se adsorption was greater in the clayed soils compared to sandy ones. Our results support the idea that adding Se (VI) to the soil is a good strategy to increase Se levels in food crops (agronomic biofortification), especially when crops are grown in soils that have been cultivated over the time due to their low Se adsorption capacity (high Se availability). Copyright © 2016 Elsevier Ltd. All rights reserved.

Adsorptive removal of patulin from aqueous solution using thiourea modified chitosan resin.

PubMed

Liu, Bingjie; Peng, Xiaoning; Chen, Wei; Li, Yang; Meng, Xianghong; Wang, Dongfeng; Yu, Guangli

2015-09-01

In the present paper, thiourea modified chitosan resin (TMCR) was firstly prepared through converting hydroxyl groups of chitosan resin into thiol groups, using glutaraldehyde as cross-linking agent and thiourea as modification agent. TMCR was characterized by FTIR, EDXS, SEM, XRD and AFM technologies. Batch adsorption experiments were performed to study the adsorption capacity of TMCR for patulin at different pH, temperature, contact time and patulin concentration. The result showed that TMCR was effective in removal of patulin from aqueous solution. The adsorption capacity of TMCR for patulin was 1.0 mg/g at pH 4.0, 25 °C for 24 h. Adsorption process could be well described by pseudo-first order model, Freundlich isotherm model and intraparticle diffusion model. It indicated that TMCR is expected to be a new material for patulin adsorption from aqueous solutions. Copyright © 2015 Elsevier B.V. All rights reserved.

Cysteine and cystine adsorption on FeS2(100)

NASA Astrophysics Data System (ADS)

Suzuki, Teppei; Yano, Taka-aki; Hara, Masahiko; Ebisuzaki, Toshikazu

2018-08-01

Iron pyrite (FeS2) is the most abundant metal sulfide on Earth. Owing to its reactivity and catalytic activity, pyrite has been studied in various research fields such as surface science, geochemistry, and prebiotic chemistry. Importantly, native iron-sulfur clusters are typically coordinated by cysteinyl ligands of iron-sulfur proteins. In the present paper, we study the adsorption of L-cysteine and its oxidized dimer, L-cystine, on the FeS2 surface, using electronic structure calculations based density functional theory and Raman spectroscopy measurements. Our calculations suggest that sulfur-deficient surfaces play an important role in the adsorption of cysteine and cystine. In the thiol headgroup adsorption on the sulfur-vacancy site, dissociative adsorption is found to be energetically favorable compared with molecular adsorption. In addition, the calculations indicate that, in the cystine adsorption on the defective surface under vacuum conditions, the formation of the S-Fe bond is energetically favorable compared with molecular adsorption. Raman spectroscopic measurements suggest the formation of cystine molecules through the S-S bond on the pyrite surface in aqueous solution. Our results might have implications for chemical evolution at mineral surfaces on the early Earth and the origin of iron-sulfur proteins, which are believed to be one of the most ancient families of proteins.

Comparison of cadmium adsorption onto chitosan and epichlorohydrin crosslinked chitosan/eggshell composite

NASA Astrophysics Data System (ADS)

Rahmi; Marlina; Nisfayati

2018-05-01

The use of chitosan and epichlorohydrin crosslinked chitosan/eggshell composite for cadmium adsorption from water were investigated. The factors affecting adsorption such as pH and contact time were considered. The results showed that the optimum pH of adsorption was pH = 6.0 and the equilibrium time of adsorption was 40 min. The adsorption isotherm of Cd ions onto chitosan and composite were well fitted to Langmuir equation. The maximum adsorption capacity (fitting by Langmuir model) of chitosan and composite were 1.008 and 11.7647 mg/g, respectively. Adsorption performance of composite after regeneration was better than chitosan.

Ag{sup II} doped MIL-101 and its adsorption of iodine with high speed in solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mao, Ping; Qi, Bingbing; Liu, Ying

In order to improve the adsorption speed of iodine from water, MIL-101 with extra-large specific surface area (3054 m{sup 2}/g) was chosen as a base material, and then, Ag was doped into MIL-101 to enhance its adsorption capacity through an incipient-wetness impregnation method. With the characterization of SEM-EDS, TEM, XRD, XPS, TGA, IR, and BET techniques, the resulting Ag was identified to be stay in the framework of MIL-101 stably in the form of Ag{sup II} (generally, Ag{sup II} cation is not stable). However, after the adsorption of I{sup −} anions, Ag{sup II} stay in the cages of MIL-101 inmore » the form of AgI/AgI{sub 3}. It is important to note that, all adsorbents show high adsorption speed of iodine in solution. The equilibrium adsorption time of the adsorbents were acquired by only a few minutes, which can be attributed to its large BET surface area. An interesting note is that, when the doping amount of Ag is less than 9%, the iodine anions adsorption capacity of Ag@MIL-101 is greater than its theoretical adsorption capacity. It shows that both physical adsorption and chemical adsorption are existed in the adsorption process. This study hopefully leads to a new and highly efficient Ag-based adsorbent for iodide adsorb from solutions. - Graphical abstract: Ag{sup II} stay in the framework of MIL-101 stably because of F{sup -}, after the adsorption of I{sup -} anions, Ag{sup I}I /Ag{sup I}I{sub 3} stay in the cages of MIL-101. The equilibrium adsorption time of Ag@MIL-101 were acquired by only a few minutes. - Highlights: • Ag{sup II} was doped into MIL-101 by an incipient-wetness impregnation method. • Both physical adsorption and chemical adsorption are verified in the adsorption process. • Ag@MIL-101 exhibits high adsorption speed and adsorption capacity. • Ag@MIL-101 can be effectively applied to the removal of radioactive iodide anions from water in acidic and neutral medium.« less

Flue gas adsorption by single-wall carbon nanotubes: A Monte Carlo study.

PubMed

Romero-Hermida, M I; Romero-Enrique, J M; Morales-Flórez, V; Esquivias, L

2016-08-21

Adsorption of flue gases by single-wall carbon nanotubes (SWCNT) has been studied by means of Monte Carlo simulations. The flue gas is modeled as a ternary mixture of N2, CO2, and O2, emulating realistic compositions of the emissions from power plants. The adsorbed flue gas is in equilibrium with a bulk gas characterized by temperature T, pressure p, and mixture composition. We have considered different SWCNTs with different chiralities and diameters in a range between 7 and 20 Å. Our results show that the CO2 adsorption properties depend mainly on the bulk flue gas thermodynamic conditions and the SWCNT diameter. Narrow SWCNTs with diameter around 7 Å show high CO2 adsorption capacity and selectivity, but they decrease abruptly as the SWCNT diameter is increased. For wide SWCNT, CO2 adsorption capacity and selectivity, much smaller in value than for the narrow case, decrease mildly with the SWCNT diameter. In the intermediate range of SWCNT diameters, the CO2 adsorption properties may show a peculiar behavior, which depend strongly on the bulk flue gas conditions. Thus, for high bulk CO2 concentrations and low temperatures, the CO2 adsorption capacity remains high in a wide range of SWCNT diameters, although the corresponding selectivity is moderate. We correlate these findings with the microscopic structure of the adsorbed gas inside the SWCNTs.

Tuning electronic properties of boron nitride nanoplate via doping carbon for enhanced adsorptive performance.

PubMed

Pang, Jingyu; Chao, Yanhong; Chang, Honghong; Li, Hongping; Xiong, Jun; He, Minqiang; Zhang, Qi; Li, Huaming; Zhu, Wenshuai

2017-12-15

In this paper, the carbon-doped boron nitride nanoplate (C-BNNP) was prepared by pyrolyzing the precursor under N 2 and served as an excellent adsorbent for removal of Rhodamine B (RhB). The structure and composition of C-BNNP were characterized and its adsorption behavior for RhB was investigated. Compared with boron nitride nanoplate (BNNP) which was synthesized under NH 3 , C-BNNP displayed an enhancement of the adsorption capacity for RhB (833mg/g). The adsorption activity was comprehensibly studied by kinetics, isotherm and thermodynamics. The adsorption kinetics followed pseudo-second-order model. The equilibrium adsorption data agreed well with the Langmuir isotherm. And the thermodynamics indicated that the adsorption process was a spontaneous, exothermic and physisorption process. In addition, the density functional theory was proposed that doping carbon in the BNNP decreased the chemical hardness of the adsorbent and enhanced the adsorption capacity of C-BNNP for RhB. Copyright © 2017 Elsevier Inc. All rights reserved.

COMPETITIVE ADSORPTION OF VOCS AND BOM: THE ROLE OF MOLECULAR OXYGEN

EPA Science Inventory

In this study, the presence of background organic matter (BOM) was seen to reduce the adsorptive capacity of carbon for chloroform, chlorobenzene, and dibromochloropropane. Adsorption of these compounds was further reduced under oxic conditions. This additional reduction in cap...

Adsorption of crystal violet onto functionalised multi-walled carbon nanotubes: Equilibrium and kinetic studies.

PubMed

Sabna, V; Thampi, Santosh G; Chandrakaran, S

2016-12-01

Synthetic dyes present in effluent from textile, paper and paint industries contain crystal violet (CV), a known carcinogenic agent. This study investigates the modification of multiwalled carbon nanotubes by acid reflux method and equilibrium and kinetic behaviour of adsorption of CV onto functionalized multi-walled carbon nanotubes (fMWNTs) in batch system. High stability of the fMWNTs suspension in water indicates the hydrophilicity of fMWNTs induced due to the formation of functional groups that make hydrogen bonds with water molecules. fMWNTs were characterized by Fourier Transform Infra Red (FTIR) spectroscopy and the functional groups present on the fMWNTs were confirmed. Characteristic variation was observed in the FTIR spectra of fMWNTs after adsorption of crystal violet onto it. Adsorption characteristics were evaluated as a function of system variables such as contact time, dosage of fMWNTs and initial concentration and pH of the crystal violet solution. Adsorption capacity of fMWNTs and percentage removal of the dye increased with increase in contact time, adsorbent dosage and pH but declined with increase in initial concentration of the dye. fMWNTs showed higher adsorption capacity compared to that of pristine MWNTs. Data showed good fit with the Langmuir and Freundlich isotherm models and the pseudo-second order kinetic model; the maximum adsorption capacity was 90.52mg/g. Kinetic parameters such as rate constants, equilibrium adsorption capacities and regression coefficients were estimated. Results indicate that fMWNTs are an effective adsorbent for the removal of crystal violet from aqueous solution. Copyright © 2015 Elsevier Inc. All rights reserved.

Effective adsorption of malachite green using magnetic barium phosphate composite from aqueous solution

NASA Astrophysics Data System (ADS)

Zhang, Fan; Wei, Zhong; Zhang, Wanning; Cui, Haiyan

2017-07-01

Magnetic Ba3(PO4)2/Fe3O4-nanoparticle (called BPFN) was prepared, characterized, and developed as a low-cost adsorbent for malachite green (MG) from aqueous solution. Factors such as adsorption temperature, pH of solution, dosage of adsorbent, adsorption kinetics and isotherms were investigated. The maximum adsorption capacity obtained in this work was 1639 mg g- 1 at 45 °C and pH 6. The adsorption process fitted the pseudo-first-order kinetic model and Langmuir isotherm model. Evidences from zeta potential, Fourier transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS) data revealed that the adsorption process was driven by electrostatic attraction, the interaction between Lewis base sbnd N(CH3)2 in MG and Lewis acid Ba sites of BPFN. In addition, the BPFN could be easily regenerated by a magnet and the adsorption capacity maintained at 70% after five cycles. The present study suggests that the BPFN had high potential of removing MG from wastewater.

Adsorption properties of congo red from aqueous solution onto N,O-carboxymethyl-chitosan.

PubMed

Wang, Li; Wang, Aiqin

2008-03-01

N,O-carboxymethyl-chitosans (N,O-CMC) with different degree of substitution (DS) were synthesized under heterogeneous conditions by controlling the reaction temperature. The factors influencing adsorption capacity of N,O-CMC such as the DS of N,O-CMC, initial pH value of the dye solution and adsorption temperature for anionic dye congo red (CR) were investigated. Compared with chitosan (78.90 mg/g), N,O-CMC with the DS of 0.35 exhibited much higher adsorption capacity (330.62 mg/g) for CR at the same adsorption conditions. The adsorption kinetics and isotherms showed that the sorption processes were better fitted by pseudo-second-order equation and the Langmuir equation, respectively. The adsorption mechanism of N,O-CMC was also discussed by means of IR and XPS spectra. The results in this study indicated that N,O-CMC was an attractive candidate for removing CR from the dye wastewater.

Adsorption characteristics of hexavalent chromium on HCB/TiO2

NASA Astrophysics Data System (ADS)

Zhang, Li; Zhang, Yonggang

2014-10-01

Sol-gel method was adopted to prepare HCB/TiO2 and its adsorption ability of hexavalent chromium, Cr(VI), and removal from aqueous solution were investigated. The samples were characterized by Power X-ray diffraction (XRD) and a transmission electron microscope (TEM) which showed that the TiO2 was deposited on the surface of HCB. FTIR was used to identify the changes of the surface functional groups before and after adsorption. Potentiometric titration method was used to characterize the zero charge (pHpzc) characteristics of the surface of HCB/TiO2 which showed more acidic functional groups containing. Batch experiments showed that initial pH, absorbent dosage, contact time and initial concentration of Cr(VI) were important parameters for the Cr(VI) adsorption studies. The Freundlich isotherm model better reflected the experimental data better. Cr(VI) adsorption process followed the pseudo-second order kinetic model, which illustrated chemical adsorption. The thermodynamic parameters, such as Gibbs free energy (ΔG), changes in enthalpy change (ΔH) and changes in entropy change (ΔS) were also evaluated. Negative value of free energy occurred at temperature range of 25-45 °C, so Cr(VI) adsorption by HCB/TiO2 is spontaneous. Desorption results showed that the adsorption capacity could maintain 80% after five cycles. The maximum adsorption capacity for Cr(VI) was at 27.33 mg g-1 in an acidic medium, of which the value is worth comparable with other low-cost adsorbents.

DENSITY FUNCTIONAL STUDY OF ELEMENTAL MERCURY ADSORPTION ON X (X=Mn, Si, Ti, Al, AND Zn)-DOPED CuO (110) SURFACE

NASA Astrophysics Data System (ADS)

He, Ping; Peng, Xiaolong; Zhang, Zhongzhi; Wu, Jiang; Chen, Naichao; Ren, Jianxing

Copper oxide (CuO) is proved to be a potential adsorbent for elemental mercury in the flue gas emitted from coal-fired power plant. However, the O-terminated CuO(110) surface has relatively week adsorption capacity for Hg. In this work, the doped method is applied to enhance the mercury adsorption capacity of O-terminated CuO(110). Mn, Si, Ti, Al and Zn are selected as the doped atom. It is found that only Zn-doped CuO (110) surfaces have the higher adsorption energy than the pure O-terminated CuO(110) surface. The mercury adsorption capacity is a complex issue, which depends on a combination of oxygen and doped element. The results suggest that the lower electropositive doped element is favorable for the improvement of mercury adsorption capacity. However, the lower electronegativity of oxygen atoms does not facilitate the mercury capture, which is different from the organic material. Cu and doped metal element, rather than oxygen atom, mainly determine mercury adsorption capacity of O-terminated CuO(110) surface, which leads to the lower adsorption capacity of the O-terminated CuO(110) surface than the Cu-terminated CuO(110) surface. The conclusions can also offer a valuable reference for the other metal oxide regarding mercury capture.

Adsorption and Desorption of Nickel(II) Ions from Aqueous Solution by a Lignocellulose/Montmorillonite Nanocomposite

PubMed Central

Zhang, Xiaotao; Wang, Ximing

2015-01-01

A new and inexpensive lignocellulose/montmorillonite (LNC/MMT) nanocomposite was prepared by a chemical intercalation of LNC into MMT and was subsequently investigated as an adsorbent in batch systems for the adsorption-desorption of Ni(II) ions in an aqueous solution. The optimum conditions for the Ni(II) ion adsorption capacity of the LNC/MMT nanocomposite were studied in detail by varying parameters such as the initial Ni(II) concentration, the solution pH value, the adsorption temperature and time. The results indicated that the maximum adsorption capacity of Ni(II) reached 94.86 mg/g at an initial Ni(II) concentration of 0.0032 mol/L, a solution pH of 6.8, an adsorption temperature of 70°C, and adsorption time of 40 min. The represented adsorption kinetics model exhibited good agreement between the experimental data and the pseudo-second-order kinetic model. The Langmuir isotherm equation best fit the experimental data. The structure of the LNC/MMT nanocomposite was characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM), whereas the adsorption mechanism was discussed in combination with the results obtained from scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and Fourier-transform infrared spectroscopy analyses (FTIR). The desorption capacity of the LNC/MMT nanocomposite depended on parameters such as HNO3 concentration, desorption temperature, and desorption time. The satisfactory desorption capacity of 81.34 mg/g was obtained at a HNO3 concentration, desorption temperature, and desorption time of 0.2 mol/L, 60 ºC, and 30 min, respectively. The regeneration studies showed that the adsorption capacity of the LNC/MMT nanocomposite was consistent for five cycles without any appreciable loss in the batch process and confirmed that the LNC/MMT nanocomposite was reusable. The overall study revealed that the LNC/MMT nanocomposite functioned as an effective adsorbent in the detoxification of Ni

Enhanced adsorption of U(VI) and 241Am(III) from wastewater using Ca/Al layered double hydroxide@carbon nanotube composites.

PubMed

Chen, Haijun; Chen, Zhe; Zhao, Guixia; Zhang, Zhibin; Xu, Chao; Liu, Yunhai; Chen, Jing; Zhuang, Li; Haya, Tasawar; Wang, Xiangke

2018-04-05

Ca/Al layered double hydroxide decorated carbon nanotube (Ca/Al-LDH@CNTs) composites were fabricated by co-precipitation method and hydrothermal aged treatment. The prepared Ca/Al-LDH@CNTs was characterized by SEM, TEM, EDS, XRD, FT-IR, UV-vis and XPS techniques, and applied to remove U(VI) from aqueous solutions under various environmental conditions (i.e., pH, ionic strength, temperature and contact time). The results indicated that the adsorption of U(VI) on Ca/Al-LDH@CNTs was four times higher than that of U(VI) on bare CNTs. The kinetic investigations reflected the chemisorption of U(VI) on Ca/Al-LDH@CNTs through oxygen-containing functional groups. The adsorption isotherms demonstrated that the adsorption of U(VI) was well fitted by Langmuir model and the maximum adsorption capacity of U(VI) on Ca/Al-LDH@CNTs was calculated to be 382.9 mg g -1 at 289.15 K. The thermodynamic parameters calculated from temperature-dependent isotherms suggested that U(VI) adsorption on Ca/Al-LDH@CNTs were endothermic and spontaneous process. Furthermore, Ca/Al-LDH@CNTs could remove ∼91% of 241 Am(III) at pH = 8.0, which confirmed Ca/Al-LDH@CNTs as a promising material for multiply low level radionuclides' pollution remediation. Copyright © 2017 Elsevier B.V. All rights reserved.

Adsorption of reovirus by minerals and soils.

PubMed Central

Moore, R S; Taylor, D H; Reddy, M M; Sturman, L S

1982-01-01

Adsorption of [35S]methionine-labeled reovirus by 30 dry soils, minerals, and finely ground rocks suspended in synthetic freshwater at pH 7 was investigated to determine the conditions necessary for optimum virus removal during land application of wastewaters. All of the minerals and soils studied were excellent adsorbents of reovirus, with greater than 99% of the virus adsorbed after 1 h at 4 degrees C. Thereafter, virus remaining in suspension was significantly inactivated, and within 24 h a three to five log10 reduction in titer occurred. The presence of divalent cations, i.e., Ca2+ and Mg2+, in synthetic freshwater enhanced removal, whereas soluble organic matter decreased the amount of virus adsorbed in secondary effluent. The amount of virus adsorbed by these substrates was inversely correlated with the amount of organic matter, capacity to adsorb cationic polyelectrolyte, and electrophoretic mobility. Adsorption increased with increasing available surface area, as suspended infectivity was reduced further by the more finely divided substrates. However, the organic content of the soils reduced the level of infectious virus adsorbed below that expected from surface area measurements alone. The inverse correlation between virus adsorption and substrate capacity for cationic polyelectrolyte indicates that the adsorption of infectious reovirus particles is predominately a charged colloidal particle-charged surface interaction. Thus, adsorption of polyelectrolyte may be useful in predicting the fate of viruses during land application of sewage effluents and sludges. PMID:7149717

Adsorption of VOCs on reduced graphene oxide.

PubMed

Yu, Lian; Wang, Long; Xu, Weicheng; Chen, Limin; Fu, Mingli; Wu, Junliang; Ye, Daiqi

2018-05-01

A modified Hummer's method was adopted for the synthesis of graphene oxide (GO) and reduced graphene oxide (rGO). It was revealed that the modified method is effective for the production of GO and rGO from graphite. Transmission electron microscopy (TEM) images of GO and rGO showed a sheet-like morphology. Because of the presence of oxygenated functional groups on the carbon surface, the interlayer spacing of the prepared GO was higher than that of rGO. The presence of OH and CO groups in the Fourier transform infrared spectra (FTIR) spectrum and G-mode and 2D-mode in Raman spectra confirmed the synthesis of GO and rGO. rGO (292.6m 2 /g) showed higher surface area than that of GO (236.4m 2 /g). The prepared rGO was used as an adsorbent for benzene and toluene (model pollutants of volatile organic compounds (VOCs)) under dynamic adsorption/desorption conditions. rGO showed higher adsorption capacity and breakthrough times than GO. The adsorption capacity of rGO for benzene and toluene was 276.4 and 304.4mg/g, respectively. Desorption experiments showed that the spent rGO can be successfully regenerated by heating at 150.0°C. Its excellent adsorption/desorption performance for benzene and toluene makes rGO a potential adsorbent for VOC adsorption. Copyright © 2017. Published by Elsevier B.V.

Evaluation of affinity and pseudo-affinity adsorption processes for penicillin acylase purification.

PubMed

Fonseca, L P; Cabral, J M

1996-01-01

Affinity ligand (6-Aminopenicillanic acid, Amoxycillin, Ampicillin, Benzylpenicillin and 4-Phenylbutylanzine) of penicillin acylase (EC 3.5.1.11) were attached to hydrophilic gels like Sepharose 4B-CNBr and Minileak 'medium'. Ampicillin and 4-Phenylbutylamine were the affinity ligands that presented the higher concentrations attached to both gels. Penicillin acylase adsorption on these affinity gels was mainly dependent on the activated group of the gel, the affinity ligand attached and the experimental conditions of enzyme adsorption. Under affinity conditions only the ligands Amoxycillin, Ampicillin and 4-Phenylbutylamine, immobilized on Minileak, adsorbed the enzyme from osmotic shock extracts at different pH values. These affinity ligand systems were characterized by low adsorption capacities of penicillin acylase activity (1.2-2.1 IU mL-1 gel) and specific activity (1.5-2.9 IU mg-1 prot). Under pseudo-affinity conditions all the ligands attached both activated to gels (Sepharose 4B-CNBr and Minileak) adsorbed the enzyme. The affinity gels were characterized by higher values of adsorption capacity (3.7 and 55.6 IU mL-1 gel) and adsorbed specific activity (2.0 and 6.1 IU mg-1 prot) than those observed under affinity conditions. The space arm of Minileak gel, shown to be fundamental to enzyme adsorption under affinity conditions, preferentially adsorbed proteins in relation to the enzyme under pseudo-affinity conditions. However, this effect was partially minimized when the gel was derivatized by the affinity ligands at concentrations higher than 6 mumol mL-1 gel. Ampicillin was the affinity ligand that presented the best results for specific adsorption of penicillin acylase under affinity and pseudo-affinity adsorption processes. The Sepharose 4B-CNBr derivatized gel also presented a good adsorption capacity of enzyme activity (26.8 IU mL-1 gel) under pseudo-affinity adsorption processes.

Influence of surface treatments on micropore structure and hydrogen adsorption behavior of nanoporous carbons.

PubMed

Kim, Byung-Joo; Park, Soo-Jin

2007-07-15

The scope of this work was to control the pore sizes of porous carbons by various surface treatments and to investigate the relation between pore structures and hydrogen adsorption capacity. The effects of various surface treatments (i.e., gas-phase ozone, anodic oxidation, fluorination, and oxygen plasma) on the micropore structures of porous carbons were investigated by N(2)/77 K isothermal adsorption. The hydrogen adsorption capacity was measured by H(2) isothermal adsorption at 77 K. In the result, the specific surface area and micropore volume of all of the treated samples were slightly decreased due to the micropore filling or pore collapsing behaviors. It was also found that in F(2)-treated carbons the center of the pore size distribution was shifted to left side, meaning that the average size of the micropores decreased. The F(2)- and plasma-treated samples showed higher hydrogen storage capacities than did the other samples, the F(2)-treated one being the best, indicating that the micropore size of the porous carbons played a key role in the hydrogen adsorption at 77 K.

Competitive adsorption and selectivity sequence of heavy metals by chicken bone-derived biochar: Batch and column experiment.

PubMed

Park, Jong-Hwan; Cho, Ju-Sik; Ok, Yong Sik; Kim, Seong-Heon; Kang, Se-Won; Choi, Ik-Won; Heo, Jong-Soo; DeLaune, Ronald D; Seo, Dong-Cheol

2015-01-01

The objective of this research was to evaluate adsorption of heavy metals in single- and ternary-metal forms onto chicken bone biochar (CBB). Competitive sorption of heavy metals by CBB has never been reported previously. The maximum adsorption capacities of metals by CBB were in the order of Cu (130 mg g(-1)) > Cd (109 mg g(-1)) > Zn (93 mg g(-1)) in the single-metal adsorption isotherm and Cu (108 mg g(-1)) > Cd (54 mg g(-1)) ≥ Zn (44 mg g(-1)) in the ternary-metal adsorption isotherm. Cu was the most retained cation, whereas Zn could be easily exchanged and substituted by Cu. Batch experimental data best fit the Langmuir model rather than the Freundlich isotherms. In the column experiments, the total adsorbed amounts of the metals were in the following order of Cu (210 mg g(-1)) > Cd (192 mg g(-1)) > Zn (178) in single-metal conditions, and Cu (156) > Cd (123) > Zn (92) in ternary-metal conditions. Results from both the batch and column experiments indicate that competitive adsorption among metals increases the mobility of these metals. Especially, Zn in single-metal conditions lost it adsorption capacity most significantly. Based on the 3D simulation graphs of heavy metals, adsorption patterns under single adsorption condition were different than under competitive adsorption condition. Results from both the batch and column experiments show that competitive adsorption among metals increases the mobility of these metals. The maximum metal adsorption capacity of the metals in the column experiments was higher than that in the batch experiment indicating other metal retention mechanisms rather than adsorption may be involved. Therefore, both column and batch experiments are needed for estimating retention capacities and removal efficiencies of metals in CBB.

The adsorption of pharmaceutically active compounds from aqueous solutions onto activated carbons.

PubMed

Rakić, Vesna; Rac, Vladislav; Krmar, Marija; Otman, Otman; Auroux, Aline

2015-01-23

In this study, the adsorption of pharmaceutically active compounds - salicylic acid, acetylsalicylic acid, atenolol and diclofenac-Na onto activated carbons has been studied. Three different commercial activated carbons, possessing ∼650, 900 or 1500m(2)g(-1) surface areas were used as solid adsorbents. These materials were fully characterized - their textural, surface features and points of zero charge have been determined. The adsorption was studied from aqueous solutions at 303K using batch adsorption experiments and titration microcalorimetry, which was employed in order to obtain the heats evolved as a result of adsorption. The maximal adsorption capacities of investigated solids for all target pharmaceuticals are in the range of 10(-4)molg(-1). The obtained maximal retention capacities are correlated with the textural properties of applied activated carbon. The roles of acid/base features of activated carbons and of molecular structures of adsorbate molecules have been discussed. The obtained results enabled to estimate the possibility to use the activated carbons in the removal of pharmaceuticals by adsorption. Copyright © 2014 Elsevier B.V. All rights reserved.

Hydrogen Adsorption on Activated Carbon an Carbon Nanotubes Using Volumetric Differential Pressure Technique

NASA Astrophysics Data System (ADS)

Sanip, S. M.; Saidin, M. A. R.; Aziz, M.; Ismail, A. F.

2010-03-01

A simple hydrogen adsorption measurement system utilizing the volumetri differential pressure technique has been designed, fabricated and calibrated. Hydroge adsorption measurements have been carried out at temperatures 298 K and 77 K on activate carbon and carbon nanotubes with different surface areas. The adsorption data obtained will b helpful in understanding the adsorption property of the studied carbon materials using th fundamentals of adsorption theory. The principle of the system follows the Sievert-type metho The system measures a change in pressure between the reference cell, R1 and the sample cell S1, S2, S3 over a certain temperature range. R1, S1, S2, and S3 having known fixed volume The sample temperatures will be monitored by thermocouple TC while the pressures in R1 an S1, S2, S3 will be measured using a digital pressure transducer. The maximum operatin pressure of the pressure transducer is 20 bar and calibrated with an accuracy of ±0.01 bar. Hig purity hydrogen is being used in the system and the amount of samples for the study is betwee 1.0-2.0 grams. The system was calibrated using helium gas without any samples in S1, S2 an S3. This will provide a correction factor during the adsorption process providing an adsorption free reference point when using hydrogen gas resulting in a more accurate reading of th adsorption process by eliminating the errors caused by temperature expansion effects and oth non-adsorption related phenomena. The ideal gas equation of state is applied to calculate th hydrogen adsorption capacity based on the differential pressure measurements. Activated carbo with a surface area of 644.87 m2/g showed a larger amount of adsorption as compared to multiwalled nanotubes (commercial) with a surface area of 119.68 m2/g. This study als indicated that there is a direct correlation between the amounts of hydrogen adsorbed an surface area of the carbon materials under the conditions studied and that the adsorption significant at 77

Adsorption of hexavalent chromium onto sisal pulp/polypyrrole composites

NASA Astrophysics Data System (ADS)

Tan, Y. Y.; Wei, C.; Gong, Y. Y.; Du, L. L.

2017-02-01

Sisal pulp/polypyrrole composites(SP/PPy) utilized for the removal of hexavalent chromium [Cr(VI)] from wastewater, were prepared via in-situ chemical oxidation polymerization approach. The structure and morphology of the SP/PPy were analyzed by polarizing optical microscopy (POM), field-emission scanning electron microscopy (SEM)), Energy-dispersive X-ray spectroscopy (EDS) and X-ray photoelectron spectroscopy (XPS), the results indicated SP could be efficient dispersion of PPy. The hexavalent chromium adsorption results indicate adsorption capacity of the SP/PPy were dependent on the initial pH, with an optimum pH of 2.0. The sorption kinetic data fitted well to the pseudo-second order model and isotherm data fitted well to the Langmuir isotherm model. The maximum adsorption capacity determined from the Langmuir isotherm is 336.70 mg/g at 25° C.

EVALUATING CAPACITIES OF GAC PRELOADED WITH NATURAL WATER

EPA Science Inventory

Adsorption studies are conducted to determine how preloading a natural groundwater onto GAC affects the adsorption of cis-1,2-dichloroexthene in small-scale and pilot-scale columns. Capacities are determined from batch-isotherm tests, microcolumns, and pilot columns, which are p...

Adsorption equilibrium and dynamics of gasoline vapors onto polymeric adsorbents.

PubMed

Jia, Lijuan; Yu, Weihua; Long, Chao; Li, Aimin

2014-03-01

The emission of gasoline vapors is becoming a significant environmental problem especially for the population-dense area and also results in a significant economic loss. In this study, adsorption equilibrium and dynamics of gasoline vapors onto macroporous and hypercrosslinked polymeric resins at 308 K were investigated and compared with commercial activated carbon (NucharWV-A 1100). The results showed that the equilibrium and breakthrough adsorption capacities of virgin macroporous and hypercrosslinked polymeric resins were lower than virgin-activated carbon. Compared with origin adsorbents, however, the breakthrough adsorption capacities of the regenerated activated carbon for gasoline vapors decreased by 58.5 % and 61.3 % when the initial concentration of gasoline vapors were 700 and 1,400 mg/L, while those of macroporous and hypercrosslinked resins decreased by 17.4 % and 17.5 %, and 46.5 % and 45.5 %, respectively. Due to the specific bimodal property in the region of micropore (0.5-2.0 nm) and meso-macropore (30-70 nm), the regenerated hypercrosslinked polymeric resin exhibited the comparable breakthrough adsorption capacities with the regenerated activated carbon at the initial concentration of 700 mg/L, and even higher when the initial concentration of gasoline vapors was 1,400 mg/L. In addition, 90 % of relative humidity had ignorable effect on the adsorption of gasoline vapors on hypercrosslinked polymeric resin. Taken together, it is expected that hypercrosslinked polymeric adsorbent would be a promising adsorbent for the removal of gasoline vapors from gas streams.

A new support material for IgG adsorption: Syntrichia papillosissima (Copp.) Loeske.