• 제목/요약/키워드: Adsorption site

검색결과 193건 처리시간 0.024초

Electronic Properties of Ru/Pt(111) Alloy Surface:A Theoretical Study of H2O Adsorption

  • 강대복;이춘기
    • Bulletin of the Korean Chemical Society
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    • 제21권1호
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    • pp.87-92
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    • 2000
  • The electronic and chemical properties of the surface Pt and Ru atoms in the Pt-Ru alloy have been investigated by means of extended Huckel calculations. An electron transfer occurs from Ru to Pt, resulting in an increased electron density on the surface Pt atoms. The transfer is found to be larger toward Pt atoms out of contact with Ru. The calculated electronic perturbation of the water molecule is similar when it is adsorbed either on the Pt site or on the Ru site in the alloy. However, the water adsorption strength is much smaller in the former case, since the lone-pair donations are reduced relative to the latter case. This is essentially due to a larger closed-shell repulsive interaction between $1b_2(H_2O)$ and $d_{yz}$ (Pt).

활성탄에 의한 Acid Fuchsin 염료의 흡착에 대한 등온선, 동력학 및 열역학 특성치에 대한 해석 (Analysis on Isotherm, Kinetic and Thermodynamic Properties for Adsorption of Acid Fuchsin Dye by Activated Carbon)

  • 이종집
    • Korean Chemical Engineering Research
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    • 제58권3호
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    • pp.458-465
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    • 2020
  • 활성탄에 의한 acid fuchsin (AF) 염료의 흡착에 대한 등온선, 동력학 및 열역학적 특성치를 흡착제의 양, pH, 초기 농도, 접촉시간 및 온도를 변수로 하여 수행하였다. 활성탄을 사용한 AF의 흡착에 대한 pH의 영향은 산성(pH 8)에서 흡착백분율이 높은 욕조 현상을 나타냈다. 등온흡착 데이터는 Freundlich, Langmuir, Dubinin-Radushkevich 등온흡착식에 맞춰 보았다. Freundlich 식이 가장 높은 일치도를 나타냈으며, 흡착메카니즘이 다분자층 흡착임을 알았다. 흡착용량은 온도증가와 함께 증가하였다. Freundlich의 분리계수는 이 흡착공정이 적합한 처리공정임을 나타냈다. Dubinin-Radushkevich 등온흡착식에 의해 평가된 흡착 에너지는 활성탄에 의한 AF의 흡착이 물리 흡착임을 확인시켰다. 흡착동력학은 유사이차반응속도식에 잘 맞았다. 입자내 확산 모델에 의해 흡착점에서의 표면 확산이 율속단계로 평가되었다. 흡착공정의 활성화 에너지와 엔탈피 변화는 각각 21.19 kJ/mol, 23.05 kJ/mol 이었다. Gibbs 자유 에너지 변화는 흡착반응이 온도가 높아질수록 자발성이 더 진다는 것을 알려주었다. 양의 엔트로피는 이공정이 비가역적이라는 것을 나타냈다. 등량 흡착열은 본질덕으로 물리흡착임을 나타냈다.

TiO2와 Al2O3의 기상 VOCs 흡착 특성 평가 및 다양한 구조체로의 성형을 통한 열적 내구성 확보에 관한 연구 (A Study on the Evaluation of Adsorption Characteristics of VOCs on TiO2 and Al2O3 and Investigation of the Thermal Durability by Molding Various Structures)

  • 황인혁;이상문;김성수
    • 청정기술
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    • 제24권4호
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    • pp.280-286
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    • 2018
  • 본 연구에서는 금속산화물 2종, $TiO_2$ 분말과 $Al_2O_3$ 분말을 이용하여 건식 조건에서의 기상 VOCs 흡착 성능을 평가하였으며, BET분석과 암모니아 in-situ FT-IR 분석을 통해 비표면적, 표면 산점을 분석하고 성능과의 상관성을 평가하였다. 그 결과 $TiO_2$ 분말, $Al_2O_3$ 분말은 각각 $317.6m^2\;g^{-1}$, $64m^2\;g^{-1}$의 비표면적을 갖으며, $TiO_2$ 분말의 경우 표면에 다수의 산점이 관찰되었다. 두 금속 산화물 분말을 이용하여 기상 VOCs 흡착 성능을 평가한 결과, 비표면적이 크고 다수의 산점을 보유한 $TiO_2$ 분말이 비교적 우수한 흡착 성능을 나타내었다. 특히 비표면적이 흡착성능에 직접적인 영향을 미치는 것으로 판단되며, 산점에 의한 영향에 대해서는 추가적인 연구가 요구된다. 우수한 흡착 성능을 나타낸 $TiO_2$를 기반으로 honeycomb, hollow fiber, disc의 성형체로 제조 한 결과, 분말보다 흡착 성능은 낮았으나 적용성 측면에서 유리하며 제조공정의 특성상 우수한 열적 내구성을 갖는 polymeric disc 흡착제의 경우, 수회의 고온 탈착공정 후에도 흡착 성능을 안정적으로 유지함을 확인하였다.

천연 고령토의 폐수 중 납 흡착에 관한 연구 (A Study on Adsorption of Lead(II) in Wastewater Using Natural Kaolinite)

  • 이종은
    • 한국환경보건학회지
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    • 제21권3호
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    • pp.77-86
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    • 1995
  • Lead(II) removal efficiency by natural kaolinite was investigated through laboratory experiments. This study was conducted in two phases-sorption and desorption. In the adsorption study, the influence of sorption kinetics and sorption isotherm and various parameters such as pH, temperature, coexisting other heavy metal ions on the lead adsorption was investigated. And desorption study was carried out in order to find the re-usability of kaolinite as an adsorbent. The results of the study are as follows. 1. Sorption kinetics was investigated under the condition of 2.5 mg/l adsorbent concentration, pH 6.5$\pm$0.05, temperature $30\pm 0.5\circ$C, initial lead(II) concentration 25 mg/l. Adsorption rate was initially rapid and the extent of adsorption arrived at adsorption equilibrium with 73% adsorption efficiency in an hour. 2. The sorption isotherm experiment was made with different initial lead(II) concentration. A linearized Freundlich equation was used to fit the acquired experimental data. As a result, Freundlich constants, the sorption intensity (1/n) was 0.47 and the measure of sorption (k) was 2.44. So, it was concluded that sorption of lead(II) by kaolinite is effective. 3. The effect of pH on lead(II) sorption by kaolinite shows that at a pH of 3, only 6% of the total lead(II) was adsorbed and at a pH 9, 97% of the lead(II) was removed. And the effect of temperature on lead(II) sorption by kaolinite shows that as the temperature increased, the amount of lead(II) sorption per unit weight of kaolinite increased. But the effect was minor (p<0.05). 4. Sorption isotherm of lead coexisting cadmium (II) or zinc (II) was lower than that of lead itself. It was caused by the result of competitive sorption to adsorption site. And there was no difference between the sorption isotherm of cadmium and zinc. 5. In desorption studies, only 5.12% desorption took place in distilled water, while 52.08% in 0.1 N hydrochloric acid. Consequently used kaolinite could be regenerated by hydrochoric acid.

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텅스텐 결정면의 질소 흡착에 관한 연구 : I. (210)면 (Nitrogen Adsorption on the Stepped Planes of Tungsten: I.(210) Plane)

  • 최대선;한종훈;백선목;박노길;김기석;김기석;황정남
    • 한국진공학회지
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    • 제4권4호
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    • pp.358-366
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    • 1995
  • W(210)면의 질소 흡착에 의한 일함수의 변화, heat of desorption 및 흡착 site에 대하여 조사하였다. 텅스텐(210)면에 질소가 흡착될 때 흡착율에 따라 일함수는 증가하다가 최대 변화량 0.29eV에서 포화되었다. TDS결과로부터 이 면은 진소에 대하여 적어도 3개의 흡착 site가 있음을 알았고 high dose에서 흡착되는 $\beta$1 state까지 포함하면 모두 4개의 흡착 site 가 있으며 이 흡착 site들 중 $\alpha$1 state를 제외하고는 모두 일함수를 증가시키는 site임을 알았다. 질소는 W(210)면의 step((100)면)과 terrace((110)면)의 중 step에 흡착되고 독립된, 즉 무한히 큰 W(100)면의 $\alpha$1, $\alpha$2, 그리고 $\beta$2 state에 대응되는 흡착 site에 흡착된 질소의 dipole moment의 방향은 W(210)면의 step((100)면의 일부)의 $\alpha$1, $\alpha$2, 그리고 $\beta$2 state에 대응되는 흡착 site에 흡착된 질소의 dipole moment의 방향과 반대방향임을 알았다.

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ADSORPTION OF HUMAN RECOMBINANT FIBRONECTIN TO TITANIUM IN VITRO

  • Kim H.J.;Chang I.T.;Koak J.Y.;Heo S.J.;Yim S.A.;Jang J.H.
    • 대한치과보철학회지
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    • 제42권3호
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    • pp.301-306
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    • 2004
  • Statement of problem. Fibronectin mediates its biological effects by binding to integrins on cell membranes through a consensus site including the Arg-Gly-Asp (RGD) sequence within tenth type III module. Purpose. The purpose of our study was to investigate the adsorption affinity of human recombinant fibronectin peptide (hFNIII 9-10) to titanium and to investigate the effect of the surrounding ionic composition on the adsorption process. Material and methods. As for evaluating the affinity of hFNIII 9-10 to Ti, titanium disks were incubated in 40, 80 and $120{\mu}g/ml$ hFNIII 9-10 solution at $37^{\circ}C$ overnight, repectively. As for evaluating the effect of surrounding ionic concentration, hFNIII 9-10 was dissolved in distilled water, phosphate buffered saline and RPMI 1640. Optical density (O.D.) was measured in ELISA reader. Results. The results were as follows; 1. The adsorption of hFNIII 9-10 showed significantly highest mean optical density (O.D.) value in $80{\mu}g/ml$. 2. The difference of ionic composition in DW, PBS and RPMI did not influence the adsorption amount of hFNIII 9-10.

흡착-열탈착-GC/MS를 이용한 환경대기 중 N,N-Dimethylformamide 농도 측정 (Determination of N,N-Dimethylformamide in Ambient Air Using Adsorption Sampling and Thermal Desorption with GC/MS Analysis)

  • 서영교;황윤정;이순진;이민도;한진석;백성옥
    • 한국대기환경학회지
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    • 제26권4호
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    • pp.357-366
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    • 2010
  • The purpose of this study is to evaluate a method for the measurement of N,N-Dimethylformamide (DMF) and to apply the method to the ambient air samples. For the determination of DMF together with other general VOCs (e.g., benzene, toluene, and xylenes), adsorption sampling and thermal desorption with GC/MS was used in this study. The sampling and analytical approaches tested in this study showed a good repeatability and linearity with lower detection limits of less than 0.35 ppb. Field measurements were carried out at three industrial sites (Daegu-Seongseo, Siwha and Banwall industrial complexes) and one residential site in Daegu city during a period from October 2006 to November 2008. DMF was detected in 71.8% of the total samples from the Seongseo industrial complex, well known for textile industry. In contrast, DMF was detected in only 20.4% and 12.9% of all the samples from the other two sites in Banwall and Siwha industrial complexes, respectively. This implies that sources of DMF should be strongly associated with textile industry. The mean concentration of DMF also appeared to be the highest in Seongseo site (5.95 ppb), followed by a residential site in Daegu (3.28 ppb), Banwall (0.88 ppb) and Siwha (0.55 ppb). In this study, we demonstrated the environmental significance of DMF in urban ambient air. To our knowledge, the DMF measurement introduced in this paper is the first case of an official report in Korea.

Kinetics, Isotherm and Adsorption Mechanism Studies of Letrozole Loaded Modified and Biosynthesized Silver Nanoparticles as a Drug Delivery System: Comparison of Nonlinear and Linear Analysis

  • PourShaban, Mahsa;Moniri, Elham;Safaeijavan, Raheleh;Panahi, Homayon Ahmad
    • Korean Chemical Engineering Research
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    • 제59권4호
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    • pp.493-502
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    • 2021
  • We prepared and investigated a biosynthesized nanoparticulate system with high adsorption and release capacity of letrozole. Silver nanoparticles (AgNPs) were biosynthesized using olive leaf extract. Cysteine was capped AgNPs to increase the adsorption capacity and suitable interaction between nanoparticles and drug. Morphology and size of nanoparticles were confirmed using transmission electron microscopy (TEM). Nanoparticles were spherical with an average diameter of less than 100 nm. Cysteine capping was successfully confirmed by Fourier transform infrared resonance (FTIR) spectroscopy and elemental analysis (CHN). Also, the factors of letrozole adsorption were optimized and the linear and non-linear forms of isotherms and kinetics were studied. Confirmation of the adsorption data of letrozole by cysteine capped nanoparticles in the Langmuir isotherm model indicated the homogeneous binding site of modified nanoparticles surface. Furthermore, the adsorption rate was kinetically adjusted to the pseudo-second-order model, and a high adsorption rate was observed, indicating that cysteine coated nanoparticles are a promising adsorbent for letrozole delivery. Finally, the kinetic release profile of letrozole loaded modified nanoparticles in simulated gastric and intestinal buffers was studied. Nearly 40% of letrozole was released in simulated gastric fluid with pH 1.2, in 30 min and the rest of it (60%) was released in simulated intestinal fluid with pH 7.4 in 10 h. These results indicate the efficiency of the cysteine capped AgNPs for adsorption and release of drug letrozole for breast cancer therapy.

The Adsorptions and Configurations of CO Molecules on W (110) and W (100) Surface: Molecular Orbital Theory

  • Choe, Sang-Joon;Kang, Hae-Jin;Park, Dong-Ho;Huh, Do-Sung;Lee, Soon-Bo
    • Bulletin of the Korean Chemical Society
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    • 제25권9호
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    • pp.1314-1320
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    • 2004
  • The adsorption and configuration of CO molecules adsorbed on W (110) and W (100) surfaces have been calculated by the atomic superposition and electron delocalization molecular orbital (ASED-MO) method. Referred to as the ASED-MO method, it has been used in the present study to calculate the geometries, binding energies, vibrational frequencies, orbital energies, reduced overlap population (ROP), and charges. From these results adsorption properties of ${\alpha}$-state and ${\beta}$-state were deduced. The calculated binding energies are in good agreement with the experimental result. On the W (110), the calculated average binding energies are 2.56 eV for the end-on configuration and 3.20 eV for the lying-down configuration. Calculated vibrational frequency is 1927 $cm^{-1}$ at a 1-fold site and 1161 $cm^{-1}$ at a long-bridge (2) site. These results are in reasonable agreement with experimental values. On the W(100) surface, calculated average binding energies of the end-on and the lying-down are 2.54 eV and 4.02 eV respectively. The differences for binding energy and configuration on the surfaces are explained on the basis of surface-atom coordination and atom-atom spacing. In the favored lyingdown CO configuration on the W(110) and W(100) surfaces, 4 ${\sigma}$ and 1 ${\pi}$ donation interactions, coupled with the familiar 5 ${\sigma}$ donation to the surfaces and back-donations to the CO 2 ${\pi}^{\ast}$ orbital, are responsible for adsorption to the surface.

흡착제에 의한 매립가스 중 휘발성 유기규소화합물(실록산) 제거특성 (Removal of Volatile Organic Silicon Compounds (Siloxanes) from Landfill Gas by Adsorbents)

  • 서동천;송수성;원종철
    • 대한환경공학회지
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    • 제31권9호
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    • pp.793-802
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    • 2009
  • 매립가스의 자원화를 저해하는 전처리 대상물질 중 하나인 유기규소화합물(실록산)에 대한 흡착제의 제거특성을 확인하기 위하여 실제 매립가스를 대상으로 야자계 활성탄, 석탄계 활성탄, 실리카겔, 탈황제, 슬러지탄화물, molecular sieve 13X의 여섯 가지 상용 흡착제 등을 사용한 흡착실험을 수행하였다. 흡착제별 실록산 제거특성을 확인한 결과, 야자계 활성탄은 흡착된 L2성분의 급격한 유출이 확인되었으나 전체적인 실록산 제거효율과 흡착특성을 고려할 때 가장 우수한 흡착제로 나타났다. 그러나 실록산의 제거효과가 있는 것으로 알려져 있는 실리카겔의 경우에는 매립가스 중 D4와 D5 성분을 효과적으로 제거하였으나 L2성분은 흡착되지 않는 것으로 나타나 일부 실록산 성분의 제거효과만이 확인되었다. 한편, 야자계 활성탄을 직렬배열하였을 때, 처리된 매립가스의 실록산 함유정도와 농도변동의 주요인자인 L2성분을 비롯한 실록산 성분의 안정적인 제거가 가능한 것으로 나타났다. 또한, 실제 매립가스를 구성하고 있는 매우 다양한 성분들의 특성과 상호작용으로 흡착제의 실록산 제거특성에 영향을 미치는 것으로 나타나 효율적인 매립가스 자원화를 위해서는 흡착제와 대상물질 사이의 흡착특성과 함께 매립가스에 포함된 처리대상물질의 배출특성에 따른 전처리가 이루어져야 함을 확인할 수 있었다.