• Title/Summary/Keyword: MO calculation

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Building Load Models for Hotels in Korea (국내 호텔 건물의 에너지 부하 모델)

  • Park, Hwa-Choon;Chung, Mo
    • Journal of the Korean Solar Energy Society
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    • v.29 no.4
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    • pp.48-57
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    • 2009
  • Energy demands for hotels in Korea are surveyed and statistically analyzed to develop calculation models for a simulation. Daily energy loads of 16 hotels located in Seoul, Busan, Daegu, Inchon, and Daejon are analyzed based on energy log sheets. Detailed hourly loads are field measured for 3 hotels that are carefully selected among the surveyed. One of the salient features for energy consumption by hotels is their weekly periodicity. Relatively large values of deviations are observed for both heat and electricity loads through the country. The mains factors are: location, hotel grade (luxuriousness) and insulation. Detailed quantitative information such are annual average, daily variation, and hourly patterns are provided.

Studies on the Distribution Coefficient of the Primary, Secondary, Tertiary Amine and Quaternary Ammonium-methylorange Salts

  • Kim, Bak-Kwang
    • YAKHAK HOEJI
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    • v.18 no.3
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    • pp.183-189
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    • 1974
  • Distribution coefficients between nitrobanzene solution and deionized water, show a straight line when the number of alkyl radicals against the logarithm of distribution coefficient of the salts was plotted. After extracting salts of the indicator and the cationic surfactants with organic solvents, and employing the colorimetric method was used. A calculation method of distribution coefficients of the salts in the organic solvent has been suggested and it could be used for the extraction equilibrium of the primary amine, $CH_{3}(CH_2)_{n}NH_3^+$ secondary amine, $CH_{3}(CH_2)_{n}NH_{2}(CH_3)^+$, tertiary amine $CH_{3}(CH_2)_{n}NH(CH_3)_2^+$ and quaternary ammonium, $CH_{3}(CH_2)_{n}N(CH_3)_3^+$MO$^-$salts, (n=3,5,7,11).

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A Study on the Estimation of Temperature Distribution in Ultrasonic Hyperthermia by 1-Dimensional FEM Model (1차원 유한요소법 모델을 이용한 초음파 Hyperthermia의 온도분포에 관한 연구)

  • Ha, Jae-Gyu;Seong, Goeng-Mo
    • The Journal of the Acoustical Society of Korea
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    • v.6 no.1
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    • pp.29-38
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    • 1987
  • In clinical applications of hyperthermia, temperatures can be measured at only a few locations, whereas accurate temperature profiles need to be known for efficient therapy. For doing this, bio-heat transfer equation was modified into 1 dimensional 2 boundary value problem for simplicity and the efficiency of time, and solved by Galerkin's method. The results were then applied to annular array transducer for both the calculation of its axial temperature distribution and the estimation of temperature profiles from a few measured temperature data.

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Effect of Aging Time on the Resistance to Localized Corrosion of the Hyper Duplex Stainless Steel

  • Jeon, Soon-Hyeok;Kim, Soon-Tae;Lee, In-Sung;Kim, Ji-Soo;Kim, Kwang-Tae;Park, Yong-Soo
    • Corrosion Science and Technology
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    • v.9 no.5
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    • pp.209-215
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    • 2010
  • To elucidate the effect of aging time on resistance to localized corrosion of hyper duplex stainless steel, a double-loop electrochemical potentiokinetic reactivation test a potentiodynamic anodic polarization test, a scanning electron microscope-energy dispersive spectroscope analysis, and a thermodynamic calculation were conducted. With an increase in aging time, sigma phases are precipitated much more than chi phases due to the meta-stable chi phase acting as a transition phase. As aging time at $850^{\circ}C$ increases, the corrosion resistance decreases owing to an increase in Cr, Mo and W depleted areas adjacent to the intermetallic phases such as sigma phases and chi phases.

Development of a Energy Demand Estimator for Community Energy Systems (건물 단지에 대한 에너지 수요 예측 데이터베이스 응용 프로그램 개발)

  • Chung, Mo;Park, Hwa-Choon
    • Journal of the Korean Solar Energy Society
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    • v.29 no.3
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    • pp.37-44
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    • 2009
  • The field-surveyed and measured energy consumption data is processed to develop building energy demand models for heating, hot water, cooling, and electricity. The load models are systematically organized as a database and hourly loads for a span of year (8760 hours) are generated by the program. Rased on those models a Microsoft Access application program is developed to calculate energy demands for a Community Energy System (CES) composed of 17 types of buildings. User-friendly interfaces are provided to assist non-expert end users and necessary tools to link the calculation results to subsequent coagulations such as operation simulation or economic assessment.

Calculation of the Induced Voltage and Current for a Human and an Object Close to 765kV AC Double Circuit Transmission Line (765kV 교류 2회선 송전선 인근의 생체 및 물체 유도 전압, 전류 계산)

  • Min, Suk-Wen;Kim, Eung-Sik;Myeong, Sung-Mo;Lee, Byeong-Yoon;Park, Jong-Keun
    • Proceedings of the KIEE Conference
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    • 1994.07b
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    • pp.1509-1511
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    • 1994
  • This paper calculates the induced voltage and current for a human and a car under 765 kV AC double circuit transmission line. A human and a car is simulated as two dimension by the use of charge simulation method and as three dimension by using surface charge method. The phase arrangement of transmission line is varied to calculate the induced voltage and current. In two cases a human and a car is grounded or floated, the induced voltage and current is also compared.

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A New Mechanish of Bright Plating on the Ground of Analysis of Rate Nucleafion and Growth (결정의 발생속도식과 송장속도식의 해석에 지초한 광택니켈도금의 새로운 메카니즘)

  • 박병각;송재설;김창진
    • Journal of the Korean institute of surface engineering
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    • v.21 no.2
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    • pp.76-82
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    • 1988
  • The bright nickel electroplatings were carried out the Watt bath containg a solobel saccharin as class I brightner and para substituted benzaldehydes as class II one. Extended Huckel MO calculation was done and polarization was measured to examine between $\pi$-electron density and the brightness. The correlation is also investigated between $\pi$-electron density of oxygen atom of aldehyde group and slope of polarization curve. As a result of the analysis of rate equation of nucleation, the surface energy of the deposited particle was obtained from the slope of the plot of $\ell$nI against 1/η2, and also the reat equation of nucleation found to influnced on the leveling on the basis of adsorption theory. We have proposed the general electroplating mechanism that is applied other to all other electroplating but nickel one. The above elucidated mechanism can be extended can be extended to the all electroplating other than bright nickel electroplating.

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Theoretical Study of Phosphoryl Transfer Reactions

  • Han, In-Suk;Kim, Chan-Kyung;Lee, Hai-Whang
    • Bulletin of the Korean Chemical Society
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    • v.32 no.3
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    • pp.889-893
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    • 2011
  • The energetics and transition state (TS) structures of the reactions of six substrates, $R_1R_2P$(=O or S)Cl-type where $R_1=R_2$=Me and/or MeO, with ammonia in acetonitrile are theoretically investigated at the level of CPCM-MP2/6-31+G(d) and CPCM-MP2/6-311+G(3df,2p). The degrees of distortion of TS from the ideal trigonal bipyramidal pentacoordinate, ${\Delta}{{\delta}}_{{\neq}b}$ for a backside and ${\Delta}{{\delta}}_{{\neq}f}$ for a frontside attack, are calculated. The results of calculation suggest that the feasibility of a frontside attack for P=S is greater than that for P=O system when the two ligands, $R_1$ and $R_2$, becomes larger. The experimental and calculated results of anilinolyses of $R_1R_2P$(=O or S)Cl-type show the consistent tendencies.

Computational Study of the Molecular Structure, Vibrational Spectra and Energetics of the OIO Cation

  • Lee, Sang-Yeon
    • Bulletin of the Korean Chemical Society
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    • v.25 no.12
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    • pp.1855-1858
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    • 2004
  • Molecular geometries for the cationic and neutral species of OXO (X=Cl, Br, and I) are optimized using the Hartree-Fock (HF) theory, the second order Moller-Plesset perturbation theory (MP2), the density functional theory with the B3LYP hybrid functional (B3LYP), and the coupled cluster theory using single and double excitation with a perturbational treatment of triplet excitation (CCSD[T]) methods, with two basis sets of triple zeta plus polarization quality. The single point calculations for these species are performed at the CCSD(T,Full) level. The harmonic vibrational frequencies for these species are calculated at the HF, MP2, B3LYP and CCSD(T) levels. The adiabatic ionization potential for OIO is calculated to be 936.7 kJ/mol at the CCSD(T,Full) level and the correct value is estimated to be around 945.4 kJ/mol.

MO Studies of Configuration and Conformation (Ⅲ). Conformations of Some 2-Substituted Furan, Thiophene and Pyrrole Carbonyl Compounds (配置와 形態에 관한 分子軌道函數論的 硏究 (第3報). Furan, Thiophene 및 Pyrrole 카르보닐 化合物의 2-置換體의 形態)

  • Ikchoon Lee;Shi Choon Kim
    • Journal of the Korean Chemical Society
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    • v.21 no.1
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    • pp.32-37
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    • 1977
  • Conformations of nine 2-substituted furan, thiophene and pyrrole compounds have been studied by EHT methods. The preferred conformations of furan derivatives were trans form, which were mainly stabilized by electrostatic interactions. For thiophenes, electronic conjugation between the ring S and carbonyl oxygen was dominant, while for pyrroles both the electrostatic and conjugation effects were operative in determining the preferred conformations. Results of EHT calculation agreed well with experimentally determined preferences.

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