• Title/Summary/Keyword: oxygen cluster

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

  • Nishimura, Yoshinobu
    • Rapid Communication in Photoscience
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    • v.2 no.3
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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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    • v.12 no.2
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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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    • v.19 no.3
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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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    • v.4 no.2
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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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Annual Variation in Oxygen-deficient Water Mass in Jinhae Bay, Korea (진해만 빈산소수괴의 경년변동 특성)

  • Lee, In-Cheol;Oh, Yoo-Jihn;Kim, Heon-Tae
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.41 no.2
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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.

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

  • 최성창;황보상우;조만호;김남영;홍창의;이덕형;심태언;황정남
    • Journal of the Korean Vacuum Society
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    • v.5 no.1
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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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The Effect of Lattice Topology on Benzyl Alcohol Adsorption on Kaolinite Surfaces: Quantum Chemical Calculations of Mulliken Charges and Magnetic Shielding Tensor (캐올리나이트 규산염 층과 벤질알코올의 반응에 대한 양자화학계산에서 결정학적 위상이 멀리켄 전하와 자기 차폐 텐서에 미치는 영향)

  • Lee, Bum-Han;Lee, Sung-Keun
    • Journal of the Mineralogical Society of Korea
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    • v.20 no.4
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    • pp.313-325
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    • 2007
  • In order to have better insights into adsorption of organic molecules on kaolinite surfaces, we performed quantum chemical calculations of interaction between three different model clusters of kaolinite siloxane surfaces and benzyl alcohol, with emphasis on the effect of size and lattice topology of the cluster on the variation of electron density and magnetic shielding tensor. Model cluster 1 is an ideal silicate tetrahedral surface that consists of 7 hexagonal rings, and model cluster 2 is composed of 7 ditrigonal siloxane rings with crystallographically distinct basal oxygen atoms in the cluster, and finally model cluster 3 has both tetrahedral and octahedral layers. The Mulliken charge analysis shows that siloxane surface of model cluster 3 undergoes the largest electron density transfer after the benzyl alcohol adsorption and that of model cluster 1 is apparently larger than that of model cluster 2. The difference of Mulliken charges of basal oxygen atoms before and after the adsorption is positively correlated with hydrogen bond strength. NMR chemical shielding tensor calculation of clusters without benryl alcohol shows that three different basal oxygen atoms (O3, O4, and O5) in model cluster 2 have the isotropic magnetic shielding tensor as $228.2{\pm}3.9,\;228.9{\pm}3.4,\;and\;222.3{\pm}3.0ppm$, respectively. After the adsorption, the difference of isotropic chemical shift varies from 1 to 5.5 ppm fer model cluster 1 and 2 while model cluster 2 apparently shows larger changes in isotropic chemical shift. The chemical shift of oxygen atoms is also positively correlated with electron density transfer. The current results show that the adsorption of benzyl alcohol on the kaolinite siloxane surfaces can largely be dominated by a weak hydrogen bonding and electrostatic force (charge-charge interaction) and demonstrate the importance of the cluster site and the lattice topology of surfaces on the adsorption behavior of the organic molecules on clay surfaces.

Chemical Properties of Star Forming Galaxies in the Cluster Environment

  • Chung, Jiwon;Rey, Soo-Chang;Kim, Suk;Sung, Eon-Chang
    • The Bulletin of The Korean Astronomical Society
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    • v.37 no.2
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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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Assessment of Water Quality Characteristics in the Middle and Upper Watershed of the Geumho River Using Multivariate Statistical Analysis and Watershed Environmental Model (다변량통계분석 및 유역환경모델을 이용한 금호강 중·상류 유역의 수질특성평가)

  • Seo, Youngmin;Kwon, Kooho;Choi, Yun Young;Lee, Byung Joon
    • Journal of Korean Society on Water Environment
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    • v.37 no.6
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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.

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

  • Choe, Sang Joon;Park, Sang Moon;Park, Dong Ho;Huh, Do Sung
    • Journal of the Korean Chemical Society
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    • v.40 no.4
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    • pp.264-272
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    • 1996
  • Cluster models of the Υ-Al2O3(111) and the Pt(111) surfaces have been used in an atom superposition and electron delocalization molecular orbital study of interfacial bond strengths between them. The reduced extents for Al3+ are due to the ratio of oxygen to aluminum atoms. The greater the reduced extent for Al3+ is, the stronger the binding energy is to Pt atoms in a cluster. The oxygen-covered surfaces of Υ-Al2O3(111) are shown to bind more weakly to Pt atoms, while the binding to the oxygen-covered surface formed under oxidizing conditions of Pt atoms is strong. The interfacial bond of platinum-alumina may be possible by a charge-transfer mechanism from the platinum surface to the partially empty O-2p band and Al3+ dangling surface orbital.

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