• Title/Summary/Keyword: Adsorption Structure

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The Study on Location and Adsorbate Interaction for Vanadium Species in $VO^{2+}-SAPO-5$ by Electron Spin Resonance and Electron Spin Echo Modulation Spectroscopies

  • Back Gern-Ho;Park Sung-Gun;Lee Chul-Wee
    • Journal of the Korean Magnetic Resonance Society
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    • v.9 no.2
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    • pp.138-154
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    • 2005
  • Vanadium-incorporated aluminophosphate molecular sieve $VO^{2+}-SAPO-5$ was studied by electron spin resonance (ESR) and electron spin echo modulation (ESEM) spectroscopies to determine the vanadium structure and interaction with various adsorbate molecules. It was found that the main species at low concentration of vanadium is a monomeric vanadium units in square pyramidal or distorted octahedral coordination, both in oxidation state (IV) for the calcined hydrated material and in oxidation state (V) for the calcined material. After calcinations in $O_2$ and exposure to moisture, only species A is observed with reduced intensities. It is suggested as a $VO(H_2O)_3^{2+}$ complex coordinated to two framework oxygen bonded aluminum. When calcined, hydrated $VO^{2+}-}SAPO-5$ is dehydrated at elevated temperature, a species loses its water ligands and transforms to $VO^{2+}$ ions coordinated to two framework oxygens (species B). Species B reduces its intensity, significantly after treatment with $O_2\;at\;600^{\circ}C$ for 5 h, thus suggesting oxidation of $V^{4+}\;to\;V^{5+}$. When dehydrated $VO^{2+}-SAPO-5$ contacts with $D_2O$ at room temperature, the EPR signal of species A is observed. Thus species assumed as a $VO^{2+}(O_f)_2(D_2O)_3$, by considering two framework oxygens. Adsorption of deuterated ethanol, propanol on dehydrated $VO^{2+}_{-}SAPO-5$ result in another new vanadium species E and F, respectively, which are identified as a $VO^{2+}-(CH_3CH_2OD)_3,\;VO^{2+}-(CH_3CH_2CH_2OD)_2$ complex. When deuterated benzene is adsorbed on dehydrated $VO^{2+}-SAPO-5$, another new vanadium species G, identified as a $VO^{2+}-(C_6D_6)$ is observed. Possible coordination geometries of these various complexes are discussed.

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Photoemission study on the reactivity of organic molecules on chemically modified TiO2(001) surfaces

  • Gong, Ja-Hyeon;Park, Sang-Min;Hwang, Han-Na;Hwang, Chan-Guk;Kim, Yu-Gwon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.08a
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    • pp.87-87
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    • 2010
  • Adsorption and subsequent catalytic reactions of ethanol and acetaldehyde on chemically modified rutile TiO2(001) surfaces are probed by x-ray photoemission spectroscopy (XPS) using synchrotron radiation. TiO2 is a well-known photocatalyst for various catalytic reactions including oxidation of organic molecules. In this respect, the surface atomic structure has been found to play a vital role in determining the catalytic reactivity and selectivity of TiO2. In this study, we employ an atomically well-ordered reduced TiO2(001) surface which is prepared in a UHV chamber by repeated Ar+-sputtering and annealing (900 K) cycles. We systematically modify the surface by treating the surface with H2O or O2 at room temperature (RT). The catalytic reactivity of the surface-modified TiO2(001) is evaluated by dosing ethanol/acetaldehyde onto the surface at RT and by subsequent annealing to higher temperatures (400~600 K). XPS spectra of C 1s core level are intensively used to probe any change in the oxidation state of carbon atoms. We find that the reactivity as well as the saturation coverage are significantly affected by the RT-treatment of the TiO2 surface with H2O or O2. For both reactant molecules (ethanol/acetaldehyde), oxidation reactions are found to be enhanced on the O2-treated surface compared with the reduced or H2O-treated surfaces. Possibly reaction pathways are discussed based on the observed XPS spectra.

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Assessing the anion type effect on the hydro-mechanical properties of smectite from macro and micro-structure aspects

  • Goodarzi, Amir R.;Akbari, Hamid R.
    • Geomechanics and Engineering
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    • v.7 no.2
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    • pp.183-200
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    • 2014
  • The expansivity of clayey soils is a complicated phenomenon which may affect the stability of geotechnical structures and geo-environmental projects. In all common factors for the monitoring of soil expansion, less attention is given to anion type of pore space solutions. Therefore, this paper is concerned with the impact of various concentrations of different inorganic salts including NaCl, $Na_2SO_4$, and $Na_2CO_3$ on the macro and microstructure behavior of the expandable smectite clay. Comparison of the responses of the smectite/NaCl and smectite/$Na_2SO_4$ mixtures indicates that the effect of anion valance on the soil engineering properties is not very pronounced, regardless of the electrolyte concentration. However, at presence of carbonate as potential determining ions (PDIs) the swelling power increases up to 1.5 times compared to sulfate or chloride ions. The samples with $Na_2CO_3$ are also more deformable and show lower osmotic compressibility than the other mixtures. This demonstrates that the barrier performance of smectite greatly decreases in case of anions with the non-specific adsorption (e.g., $Cl^-$ and $SO{_4}^{2-}$) as the salinity of solution increases. Based on the results of the X-ray diffraction and sedimentation tests, the high soil volumetric changes upon exposure to carbonate is attributed to an increase in the repulsive forces between smectite basic unit layers due to the PDI effect of $CO{_3}^{2-}$ and increasing the pH level which enhance the buffering capacity of smectite. The study concluded that the nature of anion through its influence on the re-arrangement of soil microstructure and osmotic phenomena governs the hydro-mechanical parameters of expansive clays. It seems not coinciding with the double layer theory of the Gouy-Chapman double layer model.

Interaction of $HfCl_4$ with Two Hydroxyl's on Si (001) Surface: A First Principles Study ($HfCl_4$와 Si (001) 표면에 결합된 두 개의 수산화기와의 상호작용: 제일원리 연구)

  • Kim, Dae-Hyun;Kim, Dae-Hee;Seo, Hwa-Il;Kim, Yeong-Cheol
    • Journal of the Semiconductor & Display Technology
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    • v.8 no.2
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    • pp.55-58
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    • 2009
  • Density functional theory was used to investigate the adsorption and reaction of $HfCl_4$ with two hydroxyls on Si (001)-$2{\times}1$ surface in atomic layer deposition (ALD) process. We prepared a reasonable Si substrate which consisted of six inter-dimer dissociated $H_2O$ molecules and two intra-dimer dissociated $H_2O$ molecules. The $HfCl_4$must react with two hydroxyls to be a bulk-like structure. When $HfCl_4$ was adsorbed on a hydroxyl, there was energy benefit of -0.55 eV. Though there was energy loss for $HfCl_4$ to react with H of hydroxyl, thermal energy of ALD chamber would be enough to pass the energy barriers. There were five reaction pathways for $HfCl_4$ to react with two hydroxyls; inter-dimer, intra-dimer, cross-dimer, inter-row, and cross-row. Inter-row, inter-dimer and intra-dimer were relatively favorable among the five reaction pathways based on the energy difference. The electron densities between O and Hf in these three reactions were higher than the others and they had shorter Hf-O and O-O bond lengths than the other two reaction pathways.

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Development of Oil-water Separator for the Effective Application of Highly Selective Membranes (고선택성 유수분리막 적용성 향상을 위한 유수분리장치 성능 개선 연구)

  • Choi, Kwang-Soon;Lee, Donghun;Uhm, Sunghyun
    • Applied Chemistry for Engineering
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    • v.30 no.1
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    • pp.39-42
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    • 2019
  • We report on the design of oil-water separators and the selection of materials for the effective application of highly selective membranes fabricated by commercial PET (polyester) fabrics. The waterproof ability of PET fabrics was optimized to improve the separation selectivity. The density of individual PET fabrics should be over $60g/m^2$, and the multi-layered structure is more favorable for the waterproof ability together with maintaining the removal efficiency. For the continuous adsorption and removal process, the rotating perforated cylinder was selected, and covered with membranes. Furthermore, more improved and stable removal efficiency was obtained by installing floating baffles which forces the oil content to move toward membranes.

Evaluation of acetaldehyde removal performance of a hybrid adsorbent consisting of organic and inorganic materials (유무기 융복합 흡착제의 아세트알데하이드 제거 성능 평가)

  • Ahn, Hae Young;Lee, Yoon Kyoung;Song, JiHyeon
    • Journal of odor and indoor environment
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    • v.17 no.4
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    • pp.372-380
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    • 2018
  • To abate the problem of odor from restaurants, a hybrid adsorbent consisting of organic and inorganic materials was developed and evaluated using acetaldehyde as a model compound was deveioped and evaluated. Powders of activated carbon, bentonite, and calcium hydroxide were mixed and calcinated to form adsorbent structure. The surface area of the hybrid adsorbent was smaller than that of high-quality activated carbon, but its microscopic image showed that contours and pores were developed on its surface. To determine its adsorption capacity, both batch isotherm and continuous flow column experiments were performed, and these results were compared with those using commercially available activated carbon. The isotherm tests showed that the hybrid adsorbent had a capacity 40 times higher than that of the activated carbon. In addition, the column experiments revealed that breakthrough time of the hybrid adsorbent was 2.5 times longer than that of the activated carbon. These experimental results were fitted to numerical simulations by using a homogeneous surface diffusion model (HSDM); the model estimated that the hybrid adsorbent might be able to remove acetaldehyde at a concentration of 40 ppm for a 5-month period. Since various odor compounds are commonly emitted as a mixture when meat is barbecued, it is necessary to conduct a series of experiments and HSDM simulations under various conditions to obtain design parameters for a full-scale device using the hybrid adsorbent.

SOx and NOx removal performance by a wet-pulse discharge complex system (습식-펄스방전 복합시스템의 황산화물 및 질소산화물 제거성능 특성)

  • Park, Hyunjin;Lee, Whanyoung;Park, Munlye;Noh, Hakjae;You, Junggu;Han, Bangwoo;Hong, Keejung
    • Particle and aerosol research
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    • v.15 no.1
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    • pp.1-13
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    • 2019
  • Current desulfurization and denitrification technologies have reached a considerable level in terms of reduction efficiency. However, when compared with the simultaneous reduction technology, the individual reduction technologies have issues such as economic disadvantages due to the difficulty to scale-up apparatus, secondary pollution from wastewater/waste during the treatment process, requirement of large facilities for post-treatment, and increased installation costs. Therefore, it is necessary to enable practical application of simultaneous SOx and NOx treatment technologies to remove two or more contaminants in one process. The present study analyzes a technology capable of maintaining simultaneous treatment of SOx and NOx even at low temperatures due to the electrochemically generated strong oxidation of the wet-pulse complex system. This system also reduces unreacted residual gas and secondary products through the wet scrubbing process. It addresses common problems of the existing fuel gas treatment methods such as SDR, SCR, and activated carbon adsorption (i.e., low treatment efficiency, expensive maintenance cost, large installation area, and energy loss). Experiments were performed with varying variables such as pulse voltage, reaction temperature, chemicals and additives ratios, liquid/gas ratio, structure of the aeration cleaning nozzle, and gas inlet concentration. The performance of individual and complex processes using the wet-pulse discharge reaction were analyzed and compared.

Evaluation of Oxidation Efficiency of Aromatic Volatile Hydrocarbons using Visible-light-activated One-Dimensional Metal Oxide Doping Semiconductor Nanomaterials prepared by Ultrasonic-assisted Hydrothermal Synthesis (초음파-수열합성 적용 가시광 활성 일차원 금속산화물 도핑 반도체 나노소재를 이용한 방향족 휘발성 탄화수소 제어효율 평가)

  • Jo, Wan-Kuen;Shin, Seung-Ho;Choi, Jeong-Hak;Lee, Joon Yeob
    • Journal of Environmental Science International
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    • v.27 no.11
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    • pp.967-974
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    • 2018
  • In this study, we evaluated the photocatalytic oxidation efficiency of aromatic volatile hydrocarbons by using $WO_3$-doped $TiO_2$ nanotubes (WTNTs) under visible-light irradiation. One-dimensional WTNTs were synthesized by ultrasonic-assisted hydrothermal method and impregnation. XRD analysis revealed successful incorporation of $WO_3$ into $TiO_2$ nanotube (TNT) structures. UV-Vis spectra exhibited that the synthesized WTNT samples can be activated under visible light irradiation. FE-SEM and TEM images showed the one-dimensional structure of the prepared TNTs and WTNTs. The photocatalytic oxidation efficiencies of toluene, ethylbenzene, and o-xylene were higher using WTNT samples than undoped TNT. These results were explained based on the charge separation ability, adsorption capability, and light absorption of the sample photocatalysts. Among the different light sources, light-emitting-diodes (LEDs) are more highly energy-efficient than 8-W daylight used for the photocatalytic oxidation of toluene, ethylbenzene, and o-xylene, though the photocatalytic oxidation efficiency is higher for 8-W daylight.

Electrochemical Behaviors of Carbon Aerogel Electrodes for Electric Double Layer Capacitors (전기이중층 커패시터용 탄소 에어로겔 전극의 전기화학적 거동 연구)

  • Yang, Jae-Yeon;Seo, Min-Kang;Kim, Byoung-Suhk
    • Composites Research
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    • v.33 no.6
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    • pp.336-340
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    • 2020
  • In this study, carbon aerogels (CA) were prepared by sol-gel polycondensation of resorcinol and furfural in isopropanol using hexamethylenetetramine as a catalyst, and then directly drying the organic gels under isopropanol freeze-drying conditions, followed by carbonization under a nitrogen atmosphere. The preparation conditions of the CA were explored by changing the mole ratio of resorcinol to furfural. The effect of the preparation conditions on the pore structure of the CA was studied by nitrogen adsorption isotherms. The characteristics of the CA were studied by scanning and transition electron microscopy, and infrared spectrometry. The accessibility of pores and performance of the CA as an electrode in electric double layer capacitors were also electrochemically investigated. As a result, BET surface area and specific capacitance increased with the molar ratio of resorcinol to catalyst (R/C) ratio; the maximum values of 765 ㎡/g and 132 F/g were achieved at the R/C ratio of 200, respectively. Consequently, it was confirmed that increasing the R/C ratio increased the average pore size of the CA electrode, which improved the rate capability of the system.

The Effects of Zeolite on Ammonia, Nitrous Oxide Emission, and Forage Yield from Pig Slurry Applied to the Forage Corn Cropping

  • Choi, Ah-Reum;Park, Sang-Hyun;Kim, Tae-Hwan
    • Journal of The Korean Society of Grassland and Forage Science
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    • v.40 no.4
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    • pp.274-278
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    • 2020
  • Pig slurry (PS) is the most applicable recycling option as an alternative organic fertilizer. The application of pig slurry has the risk of air pollution via atmospheric ammonia (NH3) and nitrous oxide (N2O) emission. The zeolite has a porous structure that can accommodate a wide variety of cations, thus utilizing for the potential additive of deodorization and gas adsorption. This study aimed to investigate the possible roles of zeolite in mitigating NH3 and N2O emission from the pig slurry applied to the maize cropping. The experiment was composed of three treatments: 1) non-N fertilized control, 2) pig slurry (PS) and 3) pig slurry mixed with natural zeolite (PZ). Both of NH3 and N2O emission from applied pig slurry highly increased by more than 3-fold compared to non-N fertilized control. The NH3 emission from the pig slurry was dominant during early 14 days after application and 20.1% of reduction by zeolite application was estimated in this period. Total NH3 emission through whole period of measurement was 0.31, 1.33, and 1.14 kg ha-1. Nitrous oxide emission in the plot applied with pig slurry was also reduced by zeolite treatment by 16.3%. Significant increases in forage and ear yield, as well as nutrient values were obtained by pig slurry application, while no significant effects of zeolite were observed. These results indicate that the application of zeolite and pig slurry efficiently reduces the emission of ammonia and nitrous oxide without negative effects on maize crop production.