• Title/Summary/Keyword: G3 calculation

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Noise Evaluation of the Rumble Strips Constructed at Tall Gate of Highway (고속도로 영업소 광장의 럼블스트립 관련 소음평가)

  • Lee, Jae-Jun;Mun, Sung-Ho;An, Deok-Soon;Kwon, Soo-Ahn
    • International Journal of Highway Engineering
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    • v.14 no.5
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    • pp.201-206
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    • 2012
  • PURPOSES: This study evaluated a measuring technique for tire-pavement interaction noise that uses a noble close proximity (NCPX) method as well as for noise level measured inside of a car (e.g., Inside Noise Level) in term of rumble strips constructed at a tall gate. METHODS: According to the measurements of NCPX and inside noise level (INL), 1/3 octave band frequency analysis and overall noise level calculation were conducted in order to evaluate noise levels of NCPX and INL, depending on types of rumble strips. RESULTS: The tested sections of general concrete pavement surface and two different types of rumble strips were evaluated, using 1/3 octave band frequency analysis and overall noise level. From the analyzed results, it can be concluded that rumble strips generate a relatively huge noise levels when compared to the concrete pavement surface. CONCLUSIONS: Noting that above 3 dBA different noise levels can let drivers know that they are getting close to toll gate; therefore, they should apply their brakes. Thus, the noise levels of rumble strips are required to be reduced, based on considering the neighbors living near toll gates.

Adsorption characteristics of lead ion in aqueous solution by volcanic ash (화산재에 의한 수용액의 납 이온 흡착특성)

  • Kim, Mi-Yeon;So, Myeong-Gi;Kim, Yeong-Gwan
    • Journal of Korean Society of Water and Wastewater
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    • v.25 no.3
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    • pp.359-366
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    • 2011
  • The feasibility of using volcanic ash for lead ion removal from wastewater was evaluated. The adsorption experiments were carried out in batch tests using volcanic ash that was treated with either NaOH or HCl prior to the use. Volcanic ash dose, temperature and initial Pb(II) concentration were chosen as 3 operational variables for a $2^3$ factorial design. Ash dose and concentration were found to be significant factors affecting Pb(II) adsorption. The removal of Pb(II) was enhanced with increasing volcanic ash dose and with decreasing the initial Pb(II) concentration. Pb(II) adsorption on the volcanic ash surface was spontaneous reaction and favored at high temperatures. Calculation of Gibb's free energy indicated that the adsorption was endothermic reaction. The equilibrium parameters were determined by fitting the Langmuir and Freundlich isotherms, and Langmuir model better fitted to the data than Freundlich model. BTV(base-treated volcanic ash) showed the maximum adsorption capacity($Q_{max}$) of 47.39mg/g. A pseudo second-order kinetic model was fitted to the data and the calculated $q_e$ values from the kinetic model were found close to the values obtained from the equilibrium experiments. The results of this study provided useful information about the adsorption characteristics of volcanic ash for Pb(II) removal from aqueous solution.

Comparative Studies on Two Fluoro-Substituted 2-Pyrazoline Derivatives with Experimental and Theoretical Methods

  • Guo, Huan-Mei;Wang, Xian;Jian, Fang Fang;Xiao, Hai Lian;Zhao, Pu Su
    • Bulletin of the Korean Chemical Society
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    • v.30 no.5
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    • pp.1061-1066
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    • 2009
  • Two fluoro-substituted 2-pyrazoline derivatives, 1-phenyl-3-(4-methoxyphenyl)-5-(4-fluorophenyl)-2-pyrazoline (1) and 1-phenyl-3-(4-methoxyphenyl)-5-(2-fluoro-phenyl)-2-pyrazoline (2) have been synthesized and characterized by elemental analysis, IR, UV-Vis and fluorescence spectra. The crystal structure of 1 has been determined by X-ray single crystal diffraction. For the two compounds, density functional theory (DFT) calculations of the structures and natural population atomic charge analysis (NPA) have been performed at B3LYP/6-311G** level of theory. By using TD-DFT method, electron spectra of 1 and 2 have been predicted, which are very approximate with the experimental ones. Comparative studies on 1 and 2 indicate that the location change of fluorine atom in 5-position phenyl ring of 2-pyrazoline does not make significant change of geometries and electronic transition bands, but it leads to evident change of atomic charge distributions and peak intensities of UV and fluorescence spectra.

Synthesis and Properties of Rhodamine Dye Sensor Material toward detection Response (진단감응 로다민 색소센서재료 합성 및 특성 분석)

  • Kim, Hyung-Joo;Lee, Do-Hyun;Son, Young-A
    • Proceedings of the Korean Society of Dyers and Finishers Conference
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    • 2011.11a
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    • pp.34-34
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    • 2011
  • Recently, people have concerned about environmental pollution. This environmental pollution occur due to many reasons such as heavy metal ions and anions. In this regard, many researchers have studied organic materials to monitor above reasons to protect environmental pollution. One of the organic materials for this function is chemosensor. This chemosensor has been studied and reported about monitoring toxic heavy metal ions and anions. In this study, the dye sensor was designed and synthesized through reaction of Rhodamine 6G and 1,3-Indanedion. this dye sensor selective detected $Hg^{2+}$ metal ions while showing red color absorption and yellowish-green strong fluorescence emission compared to other heavy metal ions such as $Cu^{2+}$, $Hg^{2+}$, $Ag^{2+}$, $Zn^{2+}$, $Fe^{2+}$ and $Fe^{3+}$. In this regard, we anticipated that this dye senosr can provide an significant material for monitoring mercury which cause environmental pollution. Thus, We investigated detailed properties of this dye sesnor with using UV-Vis absorption and fluorescent spectrophotometer, Job's plot method for metal binding complex, computational simulated calculation named Material Studio 4.3 suite to approach for electron distribution and HOMO/LUMO.

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Electronic Structures and Magnetism of the MgCFe3(001) Surface

  • Jin, Ying-Jiu;Kim, I. G.;Lee, J. I.
    • Journal of Magnetics
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    • v.7 no.4
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    • pp.132-137
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    • 2002
  • The electronic structures and magnetism of the non-oxide perovskite MgCFe$_3$(001) surface were investigated by using the all-electron full-potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). We considered both of the MgFe terminated (MgFe-Term) and the CFe terminated (CFe-Term) surfaces. We found that the minority spin d-bands of Fe(S) of the MgFe-Term are strongly localized and Fermi level (EF) lies just below the sharp peak of the minority spin d-band of Fe(S), while the minority spin d-bands of Fe(S) of the CFe-Term are not localized much and Fermi level (E$_F$) lies in the middle of two peaks of the minority spins. The majority Fe(S) d-band width of MgFe- Term is narrower than that of the CFe-Term. It is found that the magnetic moment of Fe(S) of the MgFe- Term is 2.51 ${\mu}$$_B$, which is much larger than that of 1.97 ${\mu}$$_B$ of the CFe-Term.

Calculation of Phosphorus Release Flux from Benthic Sediments in Sookchun Lake (소옥천 호소 저서퇴적물의 인 용출률 산정)

  • Ryu, Byong-Ro
    • Journal of Korea Water Resources Association
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    • v.48 no.1
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    • pp.9-21
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    • 2015
  • This study examined pollution level of sediment in Sookchun lake, and studied dredging validity by examining phosphorous release characteristics on surface polluted soil. Total phosphorous, the principal cause of algal blooms, exceeded dredging assessment standards regarding Daechung lake (1.5 mg/g) at all points. Also at all points, total nitrogen exceeded the dredging assessment standard regarding Paldang Lake (1.1 mg/g), but fell short of the standard regarding Daechung lake (3.0 mg/g). Dredging zone was suggested in this study is Chuso water body (WS-6~WS-12) in Sookchun lake. In relation to sediment pollution levels measured at different depths, LOI tended to decrease as it became deeper. The concentrations of T-N varied depending upon the depth as well as points, but no regular pattern was observed. The depth and site did not significantly influence T-P. From the results of phosphorous release tests, it was shown that total phosphorous release flux was calculated to be $7.2{\sim}15.4mg/m^2/d$ for anaerobic condition, $0.5{\sim}2.0mg/m^2/d$ for aerobic condition and $2.0{\sim}4.1mg/m^2/d$ for facultative condition. Release flux and T-P concentration of surface sediments had positive correlation ($R^2$ 0.7871). And The corelation between release flux and DO condition in reactor had strong negative correlation ($R^2$ 0.8824).

MO Interpretation for Anticancer Activity of Pt-complexes (백금착물 (II) 의 항암성에 관한 분자궤도론적 해석 (제1보))

  • Byung-Kak Park;Yeo Hwhan-Jin
    • Journal of the Korean Chemical Society
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    • v.29 no.4
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    • pp.348-355
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    • 1985
  • Extended Huckel Calculation of cis-and trans-dichloro diammine platinum(II), dichloroethylene diamine platinum(II) and their N-mono, di, tri and tetra-methylated or ethylated ones were carried out to investigate their anticancer activity. It was found that the net charge of two chlorine atoms in cis-isomers are greater than those in trans-ones and Pt-Cl bond energies of the former are less than that of the latter, indicating that Pt-Cl bond in cis-isomers has greater ionic character than that in trans-ones and Cl atoms in the former are easier to dissociated as Cl- than those in the latter. Also, the values of $b_{2g}-b_{1g}$ energy difference, ${\Delta}_1$ were found to be greater in cis-isomers than in trans-one without exceptions. For the substitution of methyl for H atom in ammine and ethylenediamine Pt-Cl bond strength shows the tendency to increase with increasing in number of methyl group. Accordingly, We believe that two Cl atoms in $PtLCl_2$-complexes (L: NH$_3$, en) are dissociated in the first step of the action of anticancer.

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Dissolved Oxygen Budget in Floating Net Cage of Fish Farm at the Coastal Area -In case of yellow tail farm in Konli-Do- (해산 어류 양식장 가두리의 DO수지 -곤리도 방어 양식장의 경우-)

  • KIM Yong Sool
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.21 no.1
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    • pp.30-34
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    • 1988
  • In roastal fish farms the farmers, especialy engaging in dealing with the floating cage culture, going to know about relationships between holding capacity and water quality in cage. Some of water quality managers and specialists studing physiological ecology understand that the key of water quality management concerned fish farming is budget of dissolved oxygen. This paper deals with oxygen budget in floating cage of the yellow tail farms at southern coastal area in Korea. The sampling station is located at Konli-Do fish farm near Chungmu, and the data is collected for 24 hours from 3:00 p.m. 8th September 1987. In result, the needed oxygen coming after the consumption by the rearing fish had been supplied with the tide current exchange, the sum of oxygen produced by phytoplankton photosynthesis and diffused from atmosphere are no more that $43\%$ for the needs of sea water consumption included respiration of planktons and decomposition of organic matters. The optimum holding capacity of cage is possible to compute with the calculation of minimum diurnal water exchange rate $[Qin{\cdot}V^{-1}\;(C-\bar{c})]$ through net mesh of cage.

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Synthesis, Crystal Structure and Quantum Chemistry of a Novel Schiff Base N-(2,4-Dinitro-phenyl)-N'-(1-phenyl-ethylidene)-hydrazine

  • Ji, Ning-Ning;Shi, Zhi-Qiang;Zhao, Ren-Gao;Zheng, Ze-Bao;Li, Zhi-Feng
    • Bulletin of the Korean Chemical Society
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    • v.31 no.4
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    • pp.881-886
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    • 2010
  • A novel Schiff base N-(2,4-dinitro-phenyl)-N'-(1-phenyl-ethylidene)-hydrazine has been synthesized and structurally characterized by X-ray single crystal diffraction, elemental analysis, IR spectra and UV-vis spectrum. The crystal belongs to monoclinic with space group P21/n. The molecules are connected via intermolecular O-$H{\cdots}O$ hydrogen bonds into 1D infinite chains. The crystal structure is consolidated by the intramolecular N-$H{\cdots}O$ hydrogen bonds. weak intermolecular C-$H{\cdots}O$ hydrogen bonds link the molecules into intriguing 3D framework. Furthermore, Density functional theory (DFT) calculations of the structure, stabilities, orbital energies, composition characteristics of some frontier molecular orbitals and Mulliken charge distributions of the title compound were performed by means of Gaussian 03W package and taking B3LYP/6-31G(d) basis set. The time-dependent DFT calculations have been employed to calculate the electronic spectrum of the title compound, and the UV-vis spectra has been discussed on this basis. The results show that DFT method at B3LYP/6-31G(d) level can well reproduce the structure of the title compound.

Interaction of Proline with Cu+ and Cu2+ Ions in the Gas Phase (기체상에서 Cu+ 및 Cu2+ 이온과 proline의 상호작용)

  • Lee, Gab-Yong
    • Journal of the Korean Chemical Society
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    • v.53 no.3
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    • pp.257-265
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    • 2009
  • The structures and metal affinities of the binding configurations of $Cu^{+}$ and $Cu^{2+}$ to proline have been investigated using the hybrid three-parameter Density Functional Theory(DFT/B3LYP). We found that the metal-proline bonding and the energy ordering of several conformers were very different in $Cu^{+}$-proline and $Cu^{2+}$-proline. For $Cu^{+}$-proline, the ground state structure was found to have a bidentated coordination in which $Cu^{+}$ was coordinated to the carbonyl oxygen and imino group nitrogen of neutral proline. On the contrary, the ground state structure of $Cu^{2+}$-proline involves chelation between the two oxygens of the carboxylate group in a zwitterionic proline. The metal ion affinity of proline of the most stable $Cu^{+}$-proline complex was calculated as 76.0 kcal/mol at 6-311++G(d,p) level, whereas the $Cu^{2+}$ ion affinity of proline was calculated as 258.5 kcal/mol.