• Title/Summary/Keyword: oxygen cluster

검색결과 111건 처리시간 0.032초

Photodynamics of an excited triplet state in the presence of molecular oxygen cluster

  • Nishimura, Yoshinobu
    • Rapid Communication in Photoscience
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    • 제2권3호
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    • pp.72-75
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    • 2013
  • Bulk nanobubble is one of the nanoscopic gaseous state found in the solution. We measured transient absorption spectra of eosin Y in the excited triplet state ($^3EY^{2-*}$) to elucidate differences in the dissipation process of the bulk nanobubble of oxygen molecule at air pressure. The time dependence of the oxygen dissipation process was classified three time domains (P1, P2 and P3). The comparison of ordinary bubbling method gave different results at P3 in contrast to similar results at P1 and P2, indicating the existence of characteristic dissolving state in the case of nanobubble.

Ab initio Electronic Structure Calculations of $O_2$ Using Coupled Cluster Approaches and Many-Body Perturbation Theory

  • Yoon Sup Lee;Sang Yeon Lee
    • Bulletin of the Korean Chemical Society
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    • 제12권2호
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    • pp.211-213
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    • 1991
  • The ground state of the oxygen molecule is calculated by various methods of coupled cluster approaches and many body perturbation theory using a double zeta plus polarization basis set and the UHF reference state. All the methods employed are capable of describing the oxygen molecule near the equilibrium bond length and the separated atom, but do not correctly depict the breaking of the multiple bond. For this basis set, including more correlations does not necessarily improve the agreement with experiment for molecular properties such as bond lengths and dissociation energies.

Assessment of Water Quality using Multivariate Statistical Techniques: A Case Study of the Nakdong River Basin, Korea

  • Park, Seongmook;Kazama, Futaba;Lee, Shunhwa
    • Environmental Engineering Research
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    • 제19권3호
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    • pp.197-203
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    • 2014
  • This study estimated spatial and seasonal variation of water quality to understand characteristics of Nakdong river basin, Korea. All together 11 parameters (discharge, water temperature, dissolved oxygen, 5-day biochemical oxygen demand, chemical oxygen demand, pH, suspended solids, electrical conductivity, total nitrogen, total phosphorus, and total organic carbon) at 22 different sites for the period of 2003-2011 were analyzed using multivariate statistical techniques (cluster analysis, principal component analysis and factor analysis). Hierarchical cluster analysis grouped whole river basin into three zones, i.e., relatively less polluted (LP), medium polluted (MP) and highly polluted (HP) based on similarity of water quality characteristics. The results of factor analysis/principal component analysis explained up to 83.0%, 81.7% and 82.7% of total variance in water quality data of LP, MP, and HP zones, respectively. The rotated components of PCA obtained from factor analysis indicate that the parameters responsible for water quality variations were mainly related to discharge and total pollution loads (non-point pollution source) in LP, MP and HP areas; organic and nutrient pollution in LP and HP zones; and temperature, DO and TN in LP zone. This study demonstrates the usefulness of multivariate statistical techniques for analysis and interpretation of multi-parameter, multi-location and multi-year data sets.

Nonstoichimetry (x) of Nuclear Materials UO2+x and $(Ce_yU_{1-y})O_{2+x}$ at High Temperatures as a Function of Oxygen Activity$(a_o_2)$

  • Kang, Sun-Ho;Yoo, Han-Ill;Kim, Han-Soo;Lee, Young-Woo
    • The Korean Journal of Ceramics
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    • 제4권2호
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    • pp.78-82
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    • 1998
  • The oxygen nonstoichiometry (x) of UO$_{2+x}$ and $(Ce_yU_{1-y})O_{2+x}$ (y=0.05, 0.25) has been measured as a function of oxygen activity (a02) at 100$0^{\circ}C$ by a solid state coulometri titration technique. The results for UO$_{2+x}$ are in a good agreement with literature data and the ao2-dependence of the nonstoichimetry has been well explained with (2:2:2) cluster model. The equilibrium oxygen activity of $(Ce_yU_{1-y})O_{2+x}$ increases with Ce-content (y) for given nonstoichiometry (x), which is ascribed to the fact that Ce is present as Ce$^{3+}\; and\; Ce^{4+}$, and, therefore, the addition of Ce reduces the oxidation capacity of UO$_{2+x}$. From the oxygen activity dependence of x in $(Ce_yU_{1-y})O_{2+x}$ the defect structure of $(Ce_yU_{1-y})O_{2+x}$ is discussed.

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진해만 빈산소수괴의 경년변동 특성 (Annual Variation in Oxygen-deficient Water Mass in Jinhae Bay, Korea)

  • 이인철;오유진;김헌태
    • 한국수산과학회지
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    • 제41권2호
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    • pp.134-139
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    • 2008
  • To improve the oxygen-deficient water mass (ODW), the spatial and temporal variation in the water quality and characteristic of ODW occurrence were analyzed using yearly water quality data from 1989 to 2006 in Jinhae Bay, Korea. In addition, we estimated $ODW_{area},\;ODW_{vol.}$ and $ODW_R$ for Jinhae Bay. The overall water quality improved during the 2000s, based the annual variation in dissolved oxygen, chemical oxygen demand, etc. A cluster analysis classified Jinhae Bay into the southwestern, central, northern, and eastern regions. ODW occurred throughout the southwestern region in 1993 and 2002-2004, and the estimated $ODW_{vol.}$ was about $1.92km^3$. ODW did not occur in the eastern region because circulating seawater was exchanged in that part of Jinhae Bay. As ODW was generated every year in the southwestern region, this is the most polluted area in Jinhae Bay. The ODWR decreased in the northern region, showing that the water quality there has improved since a wastewater treatment plant began operating in 1994.

Ionized Cluster Beam 증착방법을 이용한 Indium-Tin-Oxide(ITO) 박막의 제작과 그 특성에 관한 연구 (A Study on the Fabrication and Characteristics of ITO thin Film Deposited by the Ionized Cluster Beam Deposition)

  • 최성창;황보상우;조만호;김남영;홍창의;이덕형;심태언;황정남
    • 한국진공학회지
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    • 제5권1호
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    • pp.54-61
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    • 1996
  • Indium-tin oxide (ITO) films were deposited on the glass substrate by the reactive -ionized cluster beam deposition(ICBD) method. In the oxygen atmosphere, indium cluster formed through the nozzle is ionized by the electron bombardment and is accelerated to be deposited on the substrate. And tin is simultaneoulsy evaporated from the boron-nitride crucible. The chracteristics of films were examined by the X-ray photoelectron spectroscopy(XPS), glancing angle X-ray diffractrion(GXRD) and the electrical properties. were measured by 4-point-probe and Hall effect measurement system . From the XPS spectrum , it was found that indium and tin atoms combined with the oxygen to form oxide$(In_2O_3, SnO_2)$. In the case of films with high tin-concentration, the GXRD spectra show that the main $In_2O_3$ peak of (222) plane, but also sub peaks((440) peak etc.) and $SnO_2$ peaks were detected. From that results, itis concluded that the heavily dopped tin component (more than 14 at. %) disturbs to form $In_2O_3$(222) phase. Four-point-probe and Hall effect measurement show that, in the most desirable case, the transmittance of the films is more then 90% in visible range and its resistivity is $$\rho$=3.55 \times10^{-4}\Omega$cm and its mobility is $\mu$=42.8 $\textrm{cm}^2$/Vsec.

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캐올리나이트 규산염 층과 벤질알코올의 반응에 대한 양자화학계산에서 결정학적 위상이 멀리켄 전하와 자기 차폐 텐서에 미치는 영향 (The Effect of Lattice Topology on Benzyl Alcohol Adsorption on Kaolinite Surfaces: Quantum Chemical Calculations of Mulliken Charges and Magnetic Shielding Tensor)

  • 이범한;이성근
    • 한국광물학회지
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    • 제20권4호
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    • pp.313-325
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    • 2007
  • 본 연구에서는 점토광물 표면 클러스터의 크기와 결정학적 위상이 전자 밀도와 자기 차폐 텐서에 미치는 영향을 살펴보기 위하여 캐올리나이트 규산염 층을 대표하는 세 개의 서로 다른 위상의 모델 클러스터와 벤질 알코올과의 상호작용에 대해 다양한 수준의 양자화학 계산을 수행하였다. 모델 클러스터 1은 단순화된 7개의 규산염 고리로 이루어졌고, 모델 클러스터 2는 결정학적 위상을 가진 7개의 규산염 고리로 이루어졌으며, 모델 클러스터 3은 세 개의 규산염 고리와 팔면체 고리로 이루어져 있다. 멀리켄 전하 계산 결과 벤질 알코올과의 반응 후의 상대적인 전자 밀도 이동의 크기는 모델클러스터 3의 사면체 쪽 > 모델 클러스터 1 > 모델 클러스터 2 > 모델 클러스터 3의 팔면체 쪽의 순으로 계산되었다. 또한 벤질 알코올과 강한 수소 결합을 하는 원자들의 전자 밀도 이동이 상대적으로 크다 벤질 알코올 흡착 전에 대한 사면체 표면 원자들의 자기 차폐 텐서 결과는 결정학적 위상을 고려하지 않은 경우 표면 중심으로부터의 거리가 비슷한 산소들끼리 유사한 등방 자기 차폐 텐서 값들을 갖고, 결정학적 위상을 고려한 경우는 결정학적으로 서로 다른 산소 자리(O3, O4, O5)에 대해 각각 $228.2{\pm}3.9,\;228.9{\pm}3.4,\;222.3{\pm}3.0ppm$으로 계산되었다. 흡착 전후의 산소 원자의 화학 차폐의 차이는 알코올과 근접한 산소들에서 약 $1{\sim}5.5ppm$ 정도의 변화가 나타나며 이러한 변화는 최근의 고분해능 이차원 핵자기공명분광 분석을 이용하면 실험으로 관찰할 수 있을 것으로 예상된다. 또한 모델 클러스터 2의 화학 차폐의 변화는 모델 클러스터 1보다 상대적으로 큰 특징을 보인다. 전자밀도 이동과 화학 차폐의 변화는 약한 양의 상관관계를 가진다. 이러한 결과들은 캐올리나이트 규산염 사면체 층과 벤질 알코올이 약한 수소 결합과 벤젠 고리와 규산염 층 산소 원자들의 약한 정전기적 힘에 의해 흡착되고 있음을 보여준다. 본 연구는 점토광물과 유기물에 대한 양자 화학 계산에서 클러스터 크기와 결정학적 위상이 고려되어야 함을 제시한다.

Chemical Properties of Star Forming Galaxies in the Cluster Environment

  • 정지원;이수창;김석;성언창
    • 천문학회보
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    • 제37권2호
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    • pp.88.1-88.1
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    • 2012
  • We utilize Sloan Digital Sky Survey DR7 spectroscopic data of ~340 star forming galaxies in the Virgo cluster to investigate their chemical properties depending on the environments. The chemical evolution of galaxies is linked to their star formation histories (SFHs), as well as to the gas interchange in different environments. In this sense, galaxy metallicity could be an observable parameter providing information on the impact of the environment on the galaxy SFH and/or the galaxy gas content. Thus, we derived gaseous metallicity (e.g., oxygen abundance) of star forming galaxies located in different regions of the Virgo cluster using well-known empirical calibrations. We also estimated their star formation rate (SFR) using H alpha luminosity. Inorder to investigate the chemical properties of these galaxies, we examined relations between various parameters: metallicity vs. luminosity, SFR vs. luminosity, and metallicity vs. cluster-centric radius. From our results, we discuss environmental effects of cluster to the chemical properties of star forming galaxies.

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다변량통계분석 및 유역환경모델을 이용한 금호강 중·상류 유역의 수질특성평가 (Assessment of Water Quality Characteristics in the Middle and Upper Watershed of the Geumho River Using Multivariate Statistical Analysis and Watershed Environmental Model)

  • 서영민;권구호;최윤영;이병준
    • 한국물환경학회지
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    • 제37권6호
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    • pp.520-530
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    • 2021
  • Multivariate statistical analysis and an environmental hydrological model were applied for investigating the causes of water pollution and providing best management practices for water quality improvement in urban and agricultural watersheds. Principal component analysis (PCA) and cluster analysis (CA) for water quality time series data show that chemical oxygen demand (COD), total organic carbon (TOC), suspended solids (SS) and total phosphorus (T-P) are classified as non-point source pollutants that are highly correlated with river discharge. Total nitrogen (T-N), which has no correlation with river discharge and inverse relationship with water temperature, behaves like a point source with slow and consistent release. Biochemical oxygen demand (BOD) shows intermediate characteristics between point and non-point source pollutants. The results of the PCA and CA for the spatial water quality data indicate that the cluster 1 of the watersheds was characterized as upstream watersheds with good water quality and high proportion of forest. The cluster 3 shows however indicates the most polluted watersheds with substantial discharge of BOD and nutrients from urban sewage, agricultural and industrial activities. The cluster 2 shows intermediate characteristics between the clusters 1 and 3. The results of hydrological simulation program-Fortran (HSPF) model simulation indicated that the seasonal patterns of BOD, T-N and T-P are affected substantially by agricultural and livestock farming activities, untreated wastewater, and environmental flow. The spatial analysis on the model results indicates that the highly-populated watersheds are the prior contributors to the water quality degradation of the river.

Pt(111)/${\gamma}-Al_2O_3$(111) 계면간 결합에 관한 분자 궤도론적 연구 (Molecular Orbital Study of Binding at the Pt(111)/${\gamma}-Al_2O_3$(111) Interface)

  • 최상준;박상문;박동호;허도성
    • 대한화학회지
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    • 제40권4호
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    • pp.264-272
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    • 1996
  • ASED-MO(Atom Superposition and Electoron Delocalization-Molecular Orbtal)이론을 이용하여 Pt(lll)과 ${\upsilon}-Al_2O_3$(III) 표면 모델에 대한 계면간 결합 세기에 관해 연구하였다. $Al^{3+}$의 환원 정도가는 알루미나 뭉치(cluster)에 대한 산소와 알루미늄의 비에 따라 달라진다. $Al^{3+}$의 환원 정도가 크면 클수록 Pt 원소들에 대해 강한 결합 에너지를 가진다. 산소로 덮인 ${\gamma}-Al_{20}_3$(III) 표면과 Pt 계면간 결합이 매우 약하지만 백금의 산화 조건에서의 결합은 매우 강하다. 백금 표면에서 부분적으로 빈 O-2p 띠(band)와 $Al^{3+}$ dangling surface orbital로 전하가 이동하는 전하이동(charge transfer) 메카니즘에 의해 백금과 알루미나 계면간 결합은 가능하다.

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