• Bulletin of the Korean Chemical Society
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• v.33 no.6
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• pp.1925-1928
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• 2012

Adsorption of alkali metals (Li, Na, and K) on the surface of magnesium oxide nanotubes (MgONTs) with different diameters was investigated using density functional theory. According to the obtained results, the most stable adsorption site was found to be atop the oxygen atom of the tube surface with adsorption energies in the range of -0.25 to -0.74 eV. HOMO-LUMO gap ($E_g$) of the tubes dramatically decreases upon the adsorption of the alkali metals, resulting in enhancement of their electrical conductivity enhancement. The order of $E_g$ decrement caused by the metal adsorption is as follows: K > Na > Li. The results suggest that the MgONTs were transformed from semi-insulator to semiconductor upon the alkali metal adsorption. Increasing the tube diameter, the HOMO/LUMO gap of the pristine tube is enhanced and adsorption energies of the alkali metals are decreased.

• Korean Journal of Mineralogy and Petrology
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• v.36 no.2
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• pp.107-115
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• 2023

Cobalt can be released into the natural environment as industrial waste from the alloying industry and as acid mine drainage, and it is also a radionuclide (⁶⁰Co) that constitutes high-level radioactive waste. Smectite is a mineral that can be useful for adsorption and isolation of this element. In this study, Cheto-type montmorillonite (Cheto-MM), which is the source clays of The Clay Mineral Society (CMS) and already well-characterized, was used. The effect of the adsorption site affected by the presence of interlayer water on the adsorption of cobalt before and after dehydration by heating was evaluated and the adsorption mechanism of cobalt on Cheto-MM was studied by applying adsorption kinetics and adsorption isotherm models. The results showed that the adsorption characteristics changed with dehydration and subsequent shrinkage, and cobalt was found to be adsorbed at the edge of Cheto-MM for about 38% and adsorbed at the interlayer site for about 62%, suggesting that the cobalt adsorption of Cheto-MM is significantly influenced by the interlayer. By applying the adsorption kinetic models, the cobalt adsorption kinetics of Cheto-MM is explained by a pseudo-second-order model, and the concentration-dependent adsorption was best described by the Langmuir isotherm adsorption model. This study provides basic knowledge on the adsorption characteristic of cobalt on montmorillonite with different adsorption sites and is expected to be useful in predicting the adsorption behavior of smectite in high-level radioactive waste disposal sites in the future.

• Bulletin of the Korean Chemical Society
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• v.21 no.8
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• pp.779-784
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• 2000

Comparing the adsorption properties and dissociation on a Pt(111) iththat ona Fe(111) surface, we have con-sidered seven coordination modes of the adsorbed binding site: $di-${\sigma}$${\Delta}$\mu\pi/\mu$, 1-fbld,2-fold, and 3-fbld sites. On the Pt(111) surface, t he adsorbed binding site of carbon dioxide was strongestat the1-fold site and weakest at the $\pi/\mu-site.$ The adsorbed binding site on the Fe(111) surface was strongest at the di-бsite and weakest at the 3-fold site. We have found that the binding energy at each site that excepted 3-fold on the Fe(111) surface was stronger than the binding energy on the Pt(111) surface and that chemisorbed $CO_2bends$ because of metal mixing with $2\piu${\rightarrow}$6a_1CO_2orbital.$, The dissociation reaction occured in two steps, with an intermediate com-plex composed of atomic oxygen and ${\pi}bonding$ CO forming. The OCO angles of reaction intermediate com-plex structure for the dissociation reaction $were115^{\circ}Con$ the Pt(111), and $117^{\circ}C$ on the Fe(111) surface. We have found that the $CO_2dissociation$ rea11) surface proceeds easily,with an activationenergy about 0.2 eV lower than that on the Pt(111) surface.

• Korean Journal of Fisheries and Aquatic Sciences
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• v.33 no.3
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• pp.250-256
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• 2000

The purpose of this study was to investigate the adsorption kinetics of heavy metals (Cu, Cd and Pb) using three tidal flat sediments and two yellow loesses. The relationship between adsorption rate calculated by non-linear regression model and chemical parameters was estimated. The contents of ignitiot loss (I.L.) am Fe, Mn and Al oxides of yellow loess were higher $1.5{\~}6 times$ than those of tidal flat sediments. But the contents of silt and clay of tidal flat sediment in Eueunri was higher than others. Heavy metals adsorption were occured rapidly in the intial 30 min and the concentration of adsorbed heavy metals were $4.1{\~}14.7\;{\mu}g/g\;for\;Cu,\;2.8{\~}16.7\;{\mu}g/g\;for\;Cd\;and\;43.4{\~}101.7\;{\mu}g/g$ for Pb, showing a high cumulative adsorption of $8{\~}70{\%}\;for\;Cu,\;18{\~}31{\%}\;for\;Cd and\;19{\~}52{\%}$ for Pb after 3hr. In initial concentration of $0.5{\times}10^(-5)M$, adsorption rate of heavy metals by the tidal flat sediments and yellow loesses was the sequence Pb>Cu^gt;Cd. The adsorption kinetics of Cu, Cd and Pb was found to be one-site kinetic model. Especially, in the case of Cu, there was a high negative ($R^2= -0.88{\~}-0.99$) linear correlation between chemical parameter such as I.L., Al oxide, silt and clay, and adsorption rate coefficients ($K_a$) calculated by non-linear model.

• Journal of the Korean Magnetics Society
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• v.16 no.1
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• pp.92-97
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• 2006

A study of the adsorption site of CO in the Ni(111)$(2\times2)$-O/CO coadsorbed phase over different sample preparation temperatures revealed that the atop site is favoured. The Ni-C spacing is given by $1.77\pm0.01\;{\AA}$. A study of the adsorption site of Co in the Ni(111)$(2\times2)$-O/CO coadsorbed phase over different sample preparation temperatures revealed that the atop site is favoured. The Ni-C spacing is given by $1.77\pm0.01\;{\AA}$. The data from the sample prepared at 265 K showed atop sites, which is well consistent with vibrational spectroscopy, whilst the data from the low temperature preparation appears the mixture of atop and hop $(35\%)$. The occupation of hop hollow sites is probably due to an incorrect pre-coverage of atomic oxygen (different from 0.25ml). Similar observation of site mixture also found in recent high resolution XPS measurements using C 1s and O 1s chemical shifts.

• KSBB Journal
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• v.6 no.2
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• pp.157-166
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• 1991

The structural properties of cellulose are significantly changed with the progress of hydrolysis reaction. The effects of changes on such properties of cellulosic substrate as crystallinity, amicessibility of enzyme to the active site of cellulose surface, and particle size on the kinetics of enzymatic hydrolysis have been studied. Among those physical studies, the apparent surface active site of cellulose particle was found to have the most significant effect on the hydrolysis kinetics. Based on the experimental results, the adsorption affinity of enzyme and hydrolysis rate were mainly influenced by the surface roughness of cellulose particle. The extent of accesssible active site may be expressed as the change of particle diameter. The Langmuir isotherm was proposed in terms of enzyme activity to explain the actual action of enzyme protein.

• Journal of Korean Society of Water and Wastewater
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• v.28 no.2
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• pp.235-248
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• 2014

The widespread occurrence of dissolved endocrine disrupting compounds(EDCs) and pharmaceutical active compounds(PhACs) in water sources is of concern due to their adverse effects. To remove these chemicals, adsorption of EDCs/PhACs on granular activated carbon(GAC) was investigated, and bisphenol A, carbamazepine, diclofenac, ibuprofen, and sulfamethoxazole were selected as commonly occurring EDCs/PhACs in the aquatic environment. Various adsorption isotherms were applied to evaluate compatability with each adsorption in the condition of single-solute. Removal difference between individual and competitive adsorption were investigated from the physicochemical properties of each adsorbate. Hydrophobicity interaction was the main adsorption mechanism in the single-solute adsorption with order of maximum adsorption capacity as bisphenol A > carbamazepine > sulfamethoxazole > diclofenac > ibuprofen, while both hydrophobicity and molecular size play significant roles in competitive adsorption. Adsorption kinetic was also controled by hydrophobicity of each adsorbate resulting in higher hydrophobicity allowed faster adsorption on available adsorption site on GAC. EDCs/PhACs adsorption on GAC was determined as an endothermic reaction resulting in better adsorption at higher temperature ($40^{\circ}C$) than lower temperature ($10^{\circ}C$).

• Environmental Engineering Research
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• v.21 no.2
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• pp.152-163
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• 2016

Present study investigates the potential of cassava peel and rubber tree bark for the removal of Cr (VI) from aqueous solution. Removal efficiency of more than 99% was obtained during the kinetic adsorption experiments with dosage of 3.5 g/L for cassava peel and 8 g/L for rubber tree bark. By comparing popular isotherm models and kinetic models for evaluating the kinetics of mass transfer, it was observed that Redlich-Peterson model and Langmuir model fitted well ($R^2$ > 0.99) resulting in maximum adsorption capacity as 79.37 mg/g and 43.86 mg/g for cassava peel and rubber tree bark respectively. Validation of pseudo-second order model and Elovich model indicated the possibility of chemisorption being the rate limiting step. The multi-linearity in the diffusion model was further addressed using multi-sites models (two-site series interface (TSSI) and two-site parallel interface (TSPI) models). Considering the influence of interface properties on the kinetic nature of sorption, TSSI model resulted in low mass transfer rate (5% for cassava peel and 10% for rubber tree bark) compared to TSPI model. The study highlights the employability of two-site sorption model for simultaneous representation of different stages of kinetic sorption for finding the rate-limiting process, compared to the separate equilibrium and kinetic modeling attempts.

• Journal of Environmental Science International
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• v.23 no.9
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• pp.1609-1618
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• 2014

In this study, as a fundamental study for the remediation of the radionuclides-contaminated soil, the adsorption of cobalt, strontium, and cesium on natural soil and kaolin were experimently investigated and adsorption characteristics were evaluated by using several adsorption kinetic and isotherm models. The pseudo-first-order kinetic model (PFOM), pseudo-second-order kinetic model (PSOM), one-site mass transfer model (OSMTM), and two compartment first-order kinetic model (TCFOKM) were used to evaluate the kinetic data and the pseudo-second-order kinetic model was the best with good correlation. The adsorption equilibria of cobalt, strontium, and cesium on natural soil were fitted successfully by Redlich-Peterson and Sips models. For kaolin, the adsorption equilibria of cobalt, strontium, and cesium were fitted well by Redlich-Peterson, Freundlich, and Sips models, respectively. The amount of adsorbed radionuclides on natural soil and kaolin was in the order of cesium > strontium > cobalt. It is considered that these results could be useful to predicting the adsorption behaviors of radionuclides such as cobalt, strontium, and cesium in soil environments.

• Journal of Environmental Science International
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• v.8 no.2
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• pp.205-209
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• 1999

Iron hydroxides are good adsorbents for uncomplexed metals, some metal-ligand complexes and many metal oxyanions. However, their adsorption properties of these precipitations are not fully exploited in wastewater treatment operations because of difficulties associated with their separation from the aqueous phase. This study describes experiments in which iron hydroxides were coated onto the surface of ordinary adsorbents(Sea sand) that are very resistant to acids, The coated adsorbents were used in adsorption of oxyanionic metals. The process was successful in removing some anions such as $SeO_3(-II)$ over a wide range of metal concentrations and sorption of oxyanionic metals increased with decreasing pH. Formation of two surface complexes for oxyanionic metals adsorption on iron hydroxides comprise (1) complexation of the free anion by a positively charged surface site, and (2) protonation of the adsorbed anion (or alternatively adsorption of a protonated form from solution) The coated adsorbents are inexpensive to prepare and could serve as the basis of a useful oxyanionic metal removal.