• 제목/요약/키워드: Adsorption, Oxide

검색결과 358건 처리시간 0.022초

Interactive CO2 Adsorption on the BaO (100) Surface: A Density Functional Theory (DFT) Study

  • Kwon, Soon-Chul;Hwang, Jung-Bae;Lee, Han-Lim;Lee, Wang-Ro
    • 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.

2중 음이온 체계내에서 시슬 Bt토양의 흡착부위에 대한 황산이온의 경쟁 (Competition of Sulfate for Sorption Sites of Cecil Bt Soil in Binary Anion System)

  • 정덕영
    • 농업과학연구
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    • 제23권2호
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    • pp.250-260
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    • 1996
  • Observed results of the adsorption between two competing anions for the shared sorption sites represent that the adsorption phenomena may depends on the characteristics of anion and available sorption sites in a given conditions. In binary systems, adsorption of one species can significantly influence the fate of the other anion, resulting in control of the extent of solute-adsorbate distributions throughout soil profile. And the proton-donation mechanisms by organic anions having a carboxyl as a functional group can also influence the adsorption of inorganic anions onto the hydroxylated sites of Fe and Al oxides. However, study of competitive adsorption of specifically adsorbed anions illustrates some of difficulties which arise in interpretation of reactions at oxide/aqueous solution interfaces. At least two factors prevented a simple analysis of reactions. First, at any pH value the maximum amount of adsorbate taken up at the surface depends on the identity of the anion. Second, it was necessary to postulate the sorption sites where the anion can be adsorbed. Hence, anions having non-specific adsorption characteristics are less capable for sorption sites, compared to those of specific adsorption characteristics, even though competition complies both ordinary and electrostatic interactions for sorption sites. Therefore, competition among chemical species in soil matrix can be of major significance in determining the effective mobility of any reactive anions with sorption sites.

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Adsorption kinetics and isotherms of phosphate and its removal from wastewater using mesoporous titanium oxide

  • Lee, Kwanyong;Jutidamrongphan, Warangkana;Lee, Seokwon;Park, Ki Young
    • Membrane and Water Treatment
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    • 제8권2호
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    • pp.161-169
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    • 2017
  • The adsorption of phosphate onto mesoporous $TiO_2$ was investigated in order to reduce phosphorus concentrations in wastewater and provide a potential mode of phosphorus recovery. Three equilibrium isotherms were used to optimize and properly describe phosphate adsorption ($R^2$>0.95). The maximum capacity of phosphate on the adsorbent was found to be 50.4 mg/g, which indicated that mesoporous $TiO_2$ could be an alternative to mesoporous $ZrO_2$ as an adsorbent. A pseudo-second order model was appropriately fitted with experimental data ($R^2$>0.93). Furthermore, the suitable pH for phosphate removal by $TiO_2$ was observed to be in the range of pH 3-7 in accordance with ion dissociation. In contrast, increasing the pH to produce more basic conditions noticeably disturbed the adsorption process. Moreover, the kinetics of the conducted temperature study revealed that phosphate adsorption onto the $TiO_2$ adsorbent is an exothermic process that could have spontaneously occurred and resulted in a higher randomness of the system. In this study, the maximum adsorption using real wastewater was observed at $30^{\circ}C$.

자기분리가 가능한 지르코늄 자성 흡착제의 합성과 인 흡착 특성 (Synthesis and Phosphorus Adsorption Characteristics of Zirconium Magnetic Adsorbent Having Magnetic Separation Capability)

  • 임대석;김은형;김동락;이태구;임학상
    • 상하수도학회지
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    • 제26권3호
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    • pp.431-442
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    • 2012
  • The purpose of this study, is to separate magnetic separation devices using permanent magnets by using magnetization characteristics remaining in treated water after adsorption and synthesizing phosphorus adsorbent capable of magnetic separation for efficient removal of phosphorus. The synthesis of the adsorbent which set Zirconium(Zr) having high friendly features for phosphorus as an element, and by synthesizing Iron Oxide($Fe_3O_4$, another name of $Fe_3O_4$ is magnetite) being able to grant magnetism to Zirconium Sulfate($Zr(SO_4)_2$), zirconium magnetic adsorbent(ZM) were manufactured. In order to consider the phosphorus adsorption characteristics of adsorbent ZM, batch adsorption experiment was performed, and based on the results, pH effect, adsorption isotherm, adsorption kinetics, and magnetic separation have been explore. As the experiment result, adsorbent ZM showed a tendency that the adsorption number was decreased rapidly at pH 13; however, it was showed a high amount of phosphorus removal in other range and it showed the highest amount of phosphorus removal in pH 6 of neutral range. In addtion, the Langmuir adsorption isotherm model is matched well, and D-R adsorption isotherm model is ranged 14.43kJ/mol indicating ion exchange mechanism. The result shown adsorption kinetics match well to the Pseudo-second-order kinetic model. The adsorbent ZM's capablility of regenerating NaOH and $H_2SO_4$, was high selectivity on the phosphorus without impacts on the other anions. The results of applying the treated water after adsorption of phosphorus to the magnetic separation device by using permanent magnets, shows that capture of the adsorbent by the magnetization filter was perfect. And they show the possibility of utilization on the phosphorus removal in water.

구리⋅알킬암모늄화합물계 목재방부제 (ACQ) 유효성분의 목재 흡착 특성 (Adsorption Characteristics of Alkaline Copper Quat Preservative Components in Wood)

  • 이종신;최광식
    • Journal of the Korean Wood Science and Technology
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    • 제42권4호
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    • pp.491-498
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    • 2014
  • ACQ 목재 방부처리 현장에서 약액의 농도관리에 필요한 기초 자료를 얻기 위하여 ACQ 약액을 회수하여 재사용하는 과정에서 일어나는 약액의 농도 변화, 처리 목재의 약제 흡수량 그리고 Cu (CuO로써)와 DDAC의 유효성분 비율변화 등을 조사하였다. 목재 수종은 낙엽송, 미송, 라디에타소나무를 사용하여 조사하였다. ACQ 약액을 회수하여 재사용하는 과정에서 재사용 횟수가 증가함에 따라 약액의 농도는 감소하였으며, 농도 감소경향은 유효성분의 종류별로 다르게 나타나 Cu보다는 DDAC의 농도 감소가 크게 나타났다. Cu의 농도감소는 처리 수종에 크게 영향을 받지 않았으나, DDAC의 경우에는 약액 흡수가 많은 수종에서 농도 감소의 폭이 크게 나타났다. 약액의 재사용 횟수에 관계없이 Cu의 목재 흡수량은 일정한 수준을 유지하였으나 DDAC 흡수량은 재사용 횟수의 증가와 함께 지속적으로 감소하였다. 약액의 재사용 횟수의 증가로 DDAC 농도가 감소하면 Cu의 흡수량이 증가하였으며, 이것은 처리 목재 내 흡착반응 과정에서 경쟁 관계에 있는 DDAC의 양이 감소함에 따라 상대적으로 Cu의 흡착량이 많아지기 때문인 것으로 판단하였다.

광반사체로 사용되는 $TiO_2$ 나노구형체의 합성과 화장품으로의 적용 연구 (The Synthesis of Nano-sphere Titanium-oxide and Cosmetic Applications)

  • 이지혜;김준우;김지만;정석진
    • 공업화학
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    • 제24권3호
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    • pp.231-238
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    • 2013
  • 본 연구에서 제조한 나노구형체 $TiO_2$는 자외선 차단 효과가 우수하면서도 노폐물 흡착을 하는 기능을 부여하기 위해 Sol-gel 방법으로 합성하였다. 다공성의 특성으로 높은 표면적에 의한 우수한 자외선 차단효과 및 흡착능력을 얻기 위해 pH를 조절하였다. 염기 처리한 $TiO_2$의 경우 가장 우수한 특성을 나타내었다. TGA로 글리세린을 흡착한 결과 1.16 mg의 높은 흡착 결과를 얻을 수 있었다. 또한 UV-A 영역에서 높은 반사율을 가지는 것을 확인하였다. 무기분체의 최적의 분산제를 찾기 위해 ester oil과 silicon oil를 사용하여 입도크기를 측정하였으며 180 nm정도의 입자로 약 6개월간 유지되었다. 이 결과를 통해, UV-A영역에서 우수한 능력을 가진 자외선 차단제로서 노폐물 흡착능력을 가진 $TiO_2$를 제조했으며 이로 인한 다양한 응용이 가능할 것으로 기대된다.

페놀케톤 3종의 추출 및 흡착에 관한 연구 (A Study on Extraction and Adsorption of Three Phenolic Ketones)

  • 이상철
    • Korean Chemical Engineering Research
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    • 제61권1호
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    • pp.109-115
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    • 2023
  • 목질계 바이오매스 가수분해액에 존재하는 알코올 발효 저해물질인 페놀화합물 중 물리화학적 유사성이 높은 페놀케톤 3종에 대한 추출 및 흡착 특성을 조사하였다. 반응추출을 이용하여 페놀케톤 3종으로 부터 acetosyringone을 선택적으로 분리하는 데 가장 적합한 염기성 추출제가 trioctylphosphine oxide라는 것이 밝혀졌다. 또한, 고분자 중성수지 흡착제인 XAD16을 이용한 흡착 또는 hexane을 이용한 물리추출이 4'-hydroxyacetophenone (HAP)과 acetovanillone (AVO)의 분리에 적합한 분리 방법임을 알 수 있었다. 동등한 질량백분율로 존재하는 페놀케톤 3종을 분리 및 농축하기 위하여 위에서 언급한 추출 및 흡착을 포함한 5단계 분별화 공정이 처음으로 제안되었다. 분별화 공정의 단계 4와 5로서 hexane에 의한 물리추출 및 NaOH 용액에 의한 역추출이 각각 사용되었을 때, 페놀케톤 3종의 순도를 거의 70% 이상 얻는 것이 가능하였다.

Sol-gel synthesis, computational chemistry, and applications of Cao nanoparticles for the remediation of methyl orange contaminated water

  • Nnabuk Okon Eddy;Rajni Garg;Rishav Garg;Samson I. Eze;Emeka Chima Ogoko;Henrietta Ijeoma Kelle;Richard Alexis Ukpe;Raphael Ogbodo;Favour Chijoke
    • Advances in nano research
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    • 제15권1호
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    • pp.35-48
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    • 2023
  • Nanoparticles are known for their outstanding properties such as particle size, surface area, optical and electrical properties. These properties have significantly boasted their applications in various surface phenomena. In this work, calcium oxide nanoparticles were synthesized from periwinkle shells as an approach towards waste management through resource recovery. The sol gel method was used for the synthesis. The nanoparticles were characterized using X-Ray diffractometer (XRD), Fourier Transformed Infra-Red Spectrophotometer (FTIR), Brunauer Emmett Teller (BET), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and ultra violet visible spectrophotometer (UV-visible). While DLS and SEM underestimate the particle diameter, the BET analysis reveals surface area of 138.998 m2/g, pore volume = 0.167 m3/g and pore diameter of 2.47 nm. The nanoparticles were also employed as an adsorbent for the purification of dye (methyl orange) contaminated water. The adsorbent showed excellent removal efficiency (up to 97 %) for the dye through the mechanism of physical adsorption. The adsorption of the dye fitted the Langmuir and Temkin models. Analysis of FTIR spectrum after adsorption complemented with computational chemistry modelling to reveal the imine nitrogen group as the site for the adsorption of the dye unto the nanomaterials. The synthesized nanomaterials have an average particle size of 24 nm, showed a unique XRD peak and is thermally and mechanically stable within the investigated temperature range (30 to 70 ℃).

Synthesis and Characterization of Adsorbent for Pb(II)-capture by using Glow Discharge Electrolysis Plasma

  • Gao, Jinzhang;Wang, Youdi;Yang, Wu;Li, Yan
    • Bulletin of the Korean Chemical Society
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    • 제31권2호
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    • pp.406-414
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    • 2010
  • A novel polyacrylamide grafted hydrous ferric oxide adsorbent composite has been synthesized by using glow discharge electrolysis plasma. To optimize the synthesis conditions, the following parameters were examined in detail: applied power, discharge time, post polymerization temperature, post polymerization time, amount of crosslinking agent and hydrous ferric oxide gel added and so on. The adsorbent was characterized by Fourier transform infrared spectroscopy (FT-IR) and X-ray photoelectron spectroscopy (XPS). The removal percentage of the adsorbent in Pb(II) solution was examined and the data obtained showed that the adsorbent composite has a high capacity for lead ion. For the use in wastewater treatment, the thermodynamic and kinetic of Pb(II)-capture were also studied. Results indicated that the adsorption reaction was a spontaneous and an endothermic process, and it seems to be obeyed a pseudo-secondorder rate model. Moreover, the adsorption isotherm of Pb(II)-capture is following the Langmuir and Freundlich isotherm models.

Fabrication and Characterization of Porous Non-Woven Carbon Based Highly Sensitive Gas Sensors Derived by Magnesium Oxide

  • Kim, Yesol;Cho, Seho;Lee, Sungho;Lee, Young-Seak
    • Carbon letters
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    • 제13권4호
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    • pp.254-259
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    • 2012
  • Nanoporous non-woven carbon fibers for a gas sensor were prepared from a pitch/polyacrylonitrile (PAN) mixed solution through an electrospinning process and their gas-sensing properties were investigated. In order to create nanoscale pores, magnesium oxide (MgO) powders were added as a pore-forming agent during the mixing of these carbon precursors. The prepared nanoporous carbon fibers derived from the MgO pore-forming agent were characterized by scanning electron microscopy (SEM), $N_2$-adsorption isotherms, and a gas-sensing analysis. The SEM images showed that the MgO powders affected the viscosity of the pitch/PAN solution, which led to the production of beaded fibers. The specific surface area of carbon fibers increased from 2.0 to $763.2m^2/g$ when using this method. The template method therefore improved the porous structure, which allows for more efficient gas adsorption. The sensing ability and the response time for the NO gas adsorption were improved by the increased surface area and micropore fraction. In conclusion, the carbon fibers with high micropore fractions created through the use of MgO as a pore-forming agent exhibited improved NO gas sensitivity.