• 공업화학
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• 제30권5호
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• pp.562-568
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• 2019

Cylindrical shape extrudates of calcium silicate hydrate (CSH) were prepared using different percentages of polyvinyl alcohol (PVA) / sodium alginate (SA) mixtures as binders and an aqueous solution containing 6% $H_3BO_3$ and 3% $CaCl_2$ was used as a cross linking agent. As the quantity of alginate increases, the phosphate removal efficiency and capacity were decreased. Among four different extrudate samples, the sample prepared by 8% PVA + 2% SA showed the highest phosphate removal efficiency (59.59%) and capacity (29.97 mg/g) at an initial phosphate concentration of 100 ppm and 2.0 g/L adsorbent dosage. Effects of the adsorbent dosage, contact time and initial phosphate concentration on the sample were further studied. The removal efficiency and capacity obtained by a 4.0 g/L adsorbent dose at an initial phosphate concentration of 100 ppm in 3 h were 79.38% and 19.96 mg/g, respectively. The experimental data of kinetic and isotherm measurements followed the pseudo-second-order kinetic equation and Langmuir isotherm model, respectively. These results suggested that the phosphate removal was processed via a chemisorption and a monolayer coverage of phosphate anions was on the CSH surface. The maximum adsorption capacity ($q_{max}$) was calculated as 23.87 mg/g from Langmuir isotherm model.

• Bulletin of the Korean Chemical Society
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• 제34권10호
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• pp.3022-3026
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• 2013

The adsorption of carbon dioxide on graphene sheets was theoretically investigated using density functional theory (DFT) and MP2 calculations. Geometric parameters and adsorption energies were computed at various levels of theory. The $CO_2$ chemisorption energies on graphene-$C_{40}$ assuming high pressure are predicted to be 71.2-72.1 kcal/mol for the lactone systems depending on various C-O orientations at the UCAM-B3LYP level of theory. Physisorption energies of $CO_2$ on graphene were predicted to be 2.1 and 3.3 kcal/mol, respectively, at the single-point $UMP2/6-31G^{**}$ level of theory for perpendicular and parallel orientations.

• Journal of Electrochemical Science and Technology
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• 제12권3호
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• pp.365-376
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• 2021

Two arylamino substituted mercaptoimidazole derivatives namely 4,5-dimethyl-1-(phenylamino)-1H-imidazole-2(3H)-thione (I1) and 4,5- dimethyl-1-((p-chlorophenyl)amino)- 1H-imidazole-2(3H)-thione (I2) were synthesized and investigated as corrosion inhibitors for carbon steel in 0.5 M HCl solution by means of electrochemical impedance spectroscopy (EIS), potentiodynamic polarization, ATR-FTIR spectroscopy and SEM. The results showed that the investigated mercaptoimidazole derivatives act as mixed type inhibitors and inhibition efficiency follows the I2>I1 order. Adsorption of inhibitors on metal surface was found to obey the Langmuir adsorption isotherm. Thermodynamic parameters revealed that adsorption of the inhibitors has both physisorption and chemisorption adsorption mechanism. Electrochemical test results were supported by quantum chemical parameters obtained from DFT calculations.

• Carbon letters
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• 제13권4호
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• pp.212-220
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• 2012

Orange peel (OP) exhibits a sorption capacity towards anionic dyes such as reactive blue 19 (RB19). Cetyltrimethylammonium bromide (CTAB) as a cationic surfactant was used to modify the surface nature of OP to enhance its adsorption capacity for anionic dyes from an aqueous solution. Four adsorbents were investigated: the OP, sodium hydroxide-treated OP (SOP), CTAB-modified OP and CTAB-modified SOP. The physical and chemical properties of these sorbents were determined using nitrogen adsorption at 77 K and by scanning electron microscope and Fourier transform infrared spectroscopy techniques. The adsorption of the RB19 dye was assessed with these sorbents at different solution pH levels and temperatures. The effect of the contact time was considered to determine the order and rate constants of the adsorption process. The adsorption data were analyzed considering the Freundlich, Langmuir, Elovich and Tempkin models. The adsorption of RB19 by the assessed sorbents is of the chemisorption type following pseudo-first-order kinetics. CTAB modification brought about a significant increase in RB19 adsorption, which was ascribed to the grafting of the sorbent with a cationic surfactant.

• Bulletin of the Korean Chemical Society
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• 제9권1호
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• pp.32-36
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• 1988

The isotherms of oxygen chemisorption on polycrystaline nickel surface are obtained at various temperatures between 298K and 523K from intensity measurernent of O 1s xps peaks, and the activation energy of the chemisorption is estimated as a function of the coverage. The activation energy extrapolated to zero coverage is found to be -5.9 kJ/mol. The negative activation energy can be taken as a strong implication of the propriety of a currently accepted chemisorption model, in which molecularly adsorbed precursor state is assumed to exist. The residence time of this precursor state is estimated by assuming a molecularly physisorbed state for the precursor state and assuming a pairwise interaction energy of Lennard-Jones 12-6 potential between an admolecule and each substrate nickel atom. The sticking coefficients are also calculated from the isotherms. The calculated results agree well with those obtained by others with different methods.

• Bulletin of the Korean Chemical Society
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• 제31권8호
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• pp.2219-2222
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• 2010

A density functional theory (DFT) study of $CO_2$ adsorption on barium oxide (BaO) adsorbents is conducted to understand the chemical activity of the oxygen site on the BaO (100) surface. This study evaluated the adsorption energies and geometries of a single $CO_2$ molecule and a pair of $CO_2$ molecules on the BaO (100) surface. A quantum calculation was performed to obtain information on the molecular structures and molecular reaction mechanisms; the results of the calculation indicated that $CO_2$ was adsorbed on BaO to form a stable surface carbonate with strong chemisorption. To study the interactive $CO_2$ adsorption on the BaO (100) surface, a pair of $CO_2$ molecules was bound to neighboring and distant oxygen sites. The interactive $CO_2$ adsorption on the BaO surface was found to slightly weaken the adsorption energy, owing to the interaction between $CO_2$ molecules.

• Membrane and Water Treatment
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• 제13권5호
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• pp.227-233
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• 2022

The objective of the study, to develop adsorbent based purifier for removal of radiological and nuclear contaminants from contaminated water. In this regard, 3-aminopropyl silica functionalized with ethylenediamine tetraacetic acid (APS-EDTA) adsorbent prepared and characterized by Fourier Transform Infrared Spectroscopy (FT-IR), Scanning Electron Microscopy (SEM) and X-ray Diffraction (XRD). Prepared APS-EDTA used for adsorptive studies of Cs(I), Co(II), Sr(II), Ni(II) and Cd(II) from contaminated water. The effect on adsorption of various parameters viz. contact time, initial concentration of metal ions and pH were also analyzed. The batch method has been employed using metal ions in solution from 1000-10000 ㎍/L, contact time 5-60 min., pH 4-10 and material quantities 50-200 mg at room temperature. The obtained adsorption data were used for drawing Freundlich and Langmuir isotherms model and both models were found suitable for explaining the metal ions adsorption on APS-EDTA. The adsorption data were followed pseudo second order reaction kinetics. The maximum adsorption capacity obtained 1.3037-1.4974 mg/g for above said metal ions. The results show that APS-EDTA have great potential to remove Cd(II), Co(II), Cs(I), Ni(II) and Sr(II) from aqueous solutions through chemisorption and physio-sorption.

• 한국환경보건학회지
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• 제19권1호
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• pp.51-56
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• 1993

This study was performed to find the ability of bituminous coal fly ash to remove fluoride from water and wastewater at different fluoride concentration, reaction temperature, reaction time and pH. The removal of fluoride is favorable at low concentration, high temperature and acidic pH. With the increase in the initial fluoride concentration, the amount adsorbed increased. Adsorption process was exothermic at pH 2.0. Physisorption process was predominant over pH 2.3, while Chemisorption was under pH 2.3. Fluoride uptake by fly ash was conducted the adherence of fluoride on the active surface sites of adsorbent and its intraparticle diffusion within adsorbent. The values of rate constants of adsorption were 3.028X 10$^{-3}$, 4.715X 10$^{-3}$, 2.88X 10$^{-3}$ (min) and intraparticle diffusion were 1.434X10$^{-3}$, 3.012X10$^{-3}$, 5.635X10$^{-3}$ at each temperatures.

• 한국산학기술학회:학술대회논문집
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• 한국산학기술학회 2011년도 추계학술논문집 1부
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• pp.364-366
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• 2011

Polyimide (PI) grafted magnesium hydroxide was synthesised and characterised by XRD, TGA, SEM analysis. XRD patterns of $PI/Mg(OH)_2$ carried the peaks due to $Mg(OH)_2$ with decreased intensity. The $CO_2$ adsorption capacity of $PI/Mg(OH)_2$ at $50^{\circ}C$ was found to be 14 wt% revealing chemisorption of $CO_2$ on $Mg(OH)_2$ which could be regenerated at higher temperatures.

• 공업화학
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• 제26권5호
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• pp.575-580
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• 2015

본 연구는 여러 가지 방법에 의해 제조된 Pd/C 촉매의 특성을 질소흡탈착등온선, XRD, FE-TEM 및 CO-chemisorption을 이용하여 확인하였고, 제조된 촉매의 활성을 cyclohexene의 수소화 반응을 통하여 확인하여 제조방법에 따른 촉매의 특성 변화가 촉매 활성에 미치는 영향에 대하여 연구하였다. 각각의 제조방법을 통하여 제조된 Pd/C 촉매의 FE-TEM 분석결과, 이온교환법으로 제조된 촉매의 분산 정도가 매우 우수하며, 폴리올법으로 제조된 촉매의 분산 정도가 매우 낮음을 확인하였다. CO-chemisorption 분석에 의한 분산도 결과 이온교환법, 함침법 및 폴리올법으로 제조된 촉매의 Pd 분산도가 각각 17.55, 13.82% 및 1.35%로 나타나 FE-TEM 결과와 일치함을 확인하였다. 이후 cyclohexene의 수소화반응을 통하여 제조된 촉매의 활성을 확인하였고, 이온교환법으로 제조된 촉매의 cyclohexene의 전환율이 71%로 가장 높음을 확인하였다. 이는 탄소 담지체에 담지된 Pd의 분산도가 반응 활성에 영향을 미쳐 나타난 결과임을 알 수 있었다.