• Bulletin of the Korean Chemical Society
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• v.11 no.4
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• pp.303-306
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• 1990

Kinetic studies were carried out for the redox reaction of $[Co(NH_3)_4(C_2O_4)]^+$ with aqueous $[Fe(H_2O)_6]^{2+}$ solution in the present of $H^+$ by UV/VIS-spectrophotometric method. It was found that the order of $H^+$ for the reaction is first one in the higher $H^+$ concentration range of $1.67×10^{-1} M{\sim}1.00 M,$ while second order in the lower range of $6.30×10^{-2} M{\sim}1.67{\times}10^{-1} M.$ Reaction order of the substrates was found to be first order with respect to each of them. Accordingly overall reactions are third or fourth order. The results of calculation for the Extended Huckel Molecular Orbital theory contribute to estimate the preferred intermediates, bridging form of binuclear complex. On the basis of these results, we propose that this redox reaction proceed via inner-sphere reaction mechanism.

• Journal of the Korean Chemical Society
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• v.29 no.2
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• pp.98-103
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• 1985

Orbital interactions between two nonbonding orbitals have been investigated for heteroatom analogues of trimethylene diradical using MINDO/3 and STO-3G methods. The results showed that the conformers in which significant ${\sigma}$-aromatic stabilization is involved exhibited level order reversal to $n_-$ below $n_+$ as it was found for trimethylene diradical. Lone pair orbitals (LPO) were found to be stabilized by charge dispersion accompanying vicinal trans $n-{\sigma}^*$ interaction and hydrogen bonding. In systems with different heteroatoms, N and O, the contribution of the LPO of oxygen, $n_O$ was always greater in the lower level whereas that of nitrogen, nN, was greater in the higher level as can be expressed as : $n_{\pm}$(lower) = $n_O{\pm}{\lambda}_Nn_N.\;n_{\pm}(higher)\;=\;n_N{\pm}{\lambda}_On_O$. where ${\lambda}_i$< 1.0

• Journal of Welding and Joining
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• v.28 no.6
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• pp.21-27
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• 2010

Due to excellent weld quality, orbital welding with TIG is widely applied to pipe welding. But concave back bead is formed easily in overhead and inclined-up position of butt orbital welding. It is difficult to find a paper to overcome this problem. In this study, in order to make convex back bead in overhead and inclined-up position of pipe 5G welding, control method of molten pool was actively investigated. Melt run welds were conducted on thickness 4.0mm SS400 with overhead and inclined-up position and was observed the variation of bead shape after welding with the bead former developed. The height of back bead showed the trend of increase as the distance from molten pool to the bead former was decreased. Also, there is no trend in the bead width of front and back as welding position was changed or the distance from molten pool to the bead former was decreased.

• Journal of Korean Society for Geospatial Information Science
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• v.14 no.4 s.38
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• pp.27-36
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• 2006

Conventionally, in order to get accurate geolocation of satellite images we need a set of ground control points with respect to individual scenes. In this paper, we tested the possibilities of modeling satellite orbits from individual scenes by establishing a sensor model for one scene and by applying the model, which was derived from the same orbital segment, to other scenes that has been acquired from the same orbital segment. We investigated orbit-attitude models with several interpolation methods and with various parameter sets to be adjusted. We used 7 satellite images of SPOT-3 with a length of 420km and ground control points acquired from GPS surveying. Results of the conventional individual scene modeling hardly introduced differences among different interpolation methods and different adjustment parameter sets. As the results of orbit modeling, the best model was the one with Lagrange interpolation for position/velocity and linear interpolation for attitude and with position/angle bias as parameter sets. The best model showed that it is possible to model orbital segments of 420km with ground control points measured within one scene (60km).

• Journal of Power System Engineering
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• v.14 no.2
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• pp.71-77
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• 2010

This paper was studied on microstructure, mechanical properties and corrosion characteristics of 316L stainless steel pipe welds was fabricated by orbital welding process. S-Ar specimen was fabricated by using Ar purge gas and S-$N_2$ specimen was fabricated by using $N_2$ purge gas. Ferrite was not detected in weld metal of S-$N_2$ specimen but the order of 0.13 Ferrite number(FN) was detected in weld metal of S-Ar specimen. Oxygen and Nitrogen concentration of S-$N_2$ specimen was higher than S-Ar specimen on HAZ and inner bead. The welds microstructural characteristics of S-Ar and S-$N_2$ specimens are similar. The microvickers hardness values of S-Ar and S-$N_2$ specimens welds were similar and average values of each regions were in the range of 174~194. The microstructures of S-Ar and S-$N_2$ weld metal were full austenite by primary austenite solidification. The Solidification structures of S-Ar and S-$N_2$ weld metal were formed directional dendrite toward bead center. The potentiodynamic polarization curve of STS 316L pipe welds exhibited typical active, passive, transpassive behaviour. Corrosion current density$(I_{corr.})$ and corrosion rate values of S-Ar specimen in 0.1M HCl solution were $0.95{\mu}A/cm^2$ and $0.31{\mu}A$/year respectively. The values of S-$N_2$ specimen were $1.4{\mu}A/cm^2$ and $0.45{\mu}m$/year.

• Journal of the Korean Chemical Society
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• v.28 no.4
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• pp.217-230
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• 1984

The MINDO/3 method was used in determination of transition states and activation barriers for various 1,2-, 1,3- and 1,5-sigmatropic hydrogen rearrangements involving systems with central carbon atom. It was found that, besides the consideration of orbital symmetry, steric effect, aromaticity, and orbital interactions were found to dictate the stability of the transition state. For systems with hetero atoms, lone pair orbitals tend to ease orbital distortion required at the transition state by participating in hydrogen transfer process and were found to lower the activation barrier accordingly. Comparison of the relative barrier heights with those obtained by using more sophisticated ab initio MO calculations showed that the MINDO/3 results give qualitatively the same tendency of the relative order of the activation barriers.

• Journal of the Korean Chemical Society
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• v.26 no.1
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• pp.7-17
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• 1982

In order to predict substituent and Lewis acid effects on the regiospecificity of the Diels-Alder reaction, and to investigate the competition for the complexation of Lewis acid between diene and dienophile, frontier orbital theory has been applied to thermal and catalyzed Diels-Alder reaction by means of CNDO/2 MO method. It has been found that: (1) Lewis acid coordinated preferentially with diene rather than dienophile when carbonyl oxygen of acetoxy substituted diene had larger negative atomic charges than that of dienophile. (2) Most of the reaction were neutral electron demand type, and hence 4-C, 2-C and quantitative secondary orbital interacion methods were generally in good accord with experiments. (3) Sulfur activated the adjacent terminal carbon atom greatly to increase diene LUMO-dienophile HOMO interaction through vacant-d-orbital participation, and played an important role in controlling regioselectivity of neutral electron demand reaction type.

• Bulletin of the Korean Chemical Society
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• v.29 no.3
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• pp.627-640
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• 2008

The geometrical structures, atomic charges, and relative energies of tetracoordinated Pd complexes [PdCl3Z (Z = Cl-, Br-, OH?-, H2O, NH3, PH3), PdCl2Z2 (Z = Br-, OH?-, H2O, NH3, PH3), PdZ?2X (Z = Cl-, OH?-, H2O, NH3, PH3; X = oxalate, O2-?CCO2-), and PdZ2Y (Z = Cl?-, OH?-, H2O, NH3, PH3; Y = succinate, CO2-?CHCHCO2-?)] and the ligand exchange reactions of the Pd complexes were investigated using the ab initio second order Mller-Plesset perturbation (MP2) and Density Functional Theory (DFT) methods. The geometrical characteristics of the tetracoordinated Pd(II) complexes with mono- and bidentate ligands, the effects of the atomic charges for the charged and uncharged ligands, the (dz2-p ) interactions between the dz2-orbital of Pd(II) and the p -orbital of bidentates, and the relative stabilities between the isomers of PdCl2Z2 and PdZ2Y were investigated in detail. The potential energy surfaces for the ligand exchange reactions used for the conversions of {[PdCl2(NH3)2] + H2O} to {[PdCl(NH3)2(H2O)]+ + Cl?-?} and {[PdCl2(PH3)2] + H2O} to {[PdCl(PH3)2(H2O)]+ + Cl?-?]} were investigated. The geometrical structure variations, molecular orbital variations (HOMO and LUMO), and relative stabilities for the ligand exchange processes were also examined quantitatively.

• Bulletin of the Korean Chemical Society
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• v.21 no.7
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• pp.720-726
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• 2000

The analytic gradient method for the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) energy has been extended to employ a reduced molecular orbital (MO) space. Not only the innermost core MOs but also some of the outermost virtua l MOs can be dropped in the reduced MO space, and a substantial amount of computation time can be reduced without deteriorating the results. In order to study the magnitudes and trends of the effects of the dropped MOs, the geometries and vibrational properties of the ground and excited states of BF, CO, CN, N2, AlCl, SiS, P2, BCl, AIF, CS, SiO, PN and GeSe are calculated with different sizes of molecular orbital space. The 6-31 G* and the aug-cc-pVTZ basis sets are employed for all molecules except GeSc for which the 6-311 G* and the TZV+f basis sets are used. It is shown that the magnitudes of the drop-MO effects are about $0.005\AA$ in bond lengths and about 1% on harmonic frequencies and IR intensities provided that the dropped MOs correspond to (1s), (1s,2s,2p), an (1s,2s,2p,3s,3p) atomic orbitals of the first, the second, and the third row atoms, respectively. The geometries and vibrational properties of the first and the second excited states of HCN and HNC are calculated by using a drastically reduced virtual MO space as well as with the well defined frozen core MO space. The results suggest the possibility of using a very smalI MO space for qualitative study of valence excited states.

• Journal of Positioning, Navigation, and Timing
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• v.8 no.2
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• pp.79-85
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• 2019

The mission tasks of polar exploration utilizing unmanned systems such as glacier monitoring, ecosystem research, and inland exploration have been expanded. To facilitate unmanned exploration mission tasks, precise and robust navigation systems are required. However, limitations on the utilization of satellite navigation system are present due to satellite orbital characteristics at the polar region located in a high latitude. The orbital inclination of global positioning system (GPS), which was developed to be utilized in mid-latitude sites, was designed at $55^{\circ}$. This means that as the user is located in higher latitudes, the satellite visibility and vertical precision become worse. In addition, the use of satellite-based wide-area augmentation system (SBAS) is also limited in higher latitude regions than the maximum latitude of signal reception by stationary satellites, which is $70^{\circ}$. This study proposes a local-area augmentation system that additionally utilizes Global Navigation Satellite System (GLONASS) considering satellite navigation system environment in Polar Regions. The orbital inclination of GLONASS is $64.8^{\circ}$, which is suitable in order to ensure satellite visibility in high-latitude regions. In contrast, GLONASS has different system operation elements such as configuration elements of navigation message and update cycle and has a statistically different signal error level around 4 m, which is larger than that of GPS. Thus, such system characteristics must be taken into consideration to ensure data integrity and monitor GLONASS signal fault. This study took GLONASS system characteristics and performance into consideration to improve previously developed fault detection algorithm in the local-area augmentation system based on GPS. In addition, real GNSS observation data were acquired from the receivers installed at the Antarctic King Sejong Station to analyze positioning accuracy and calculate test statistics of the fault monitors. Finally, this study analyzed the satellite visibility of GPS/GLONASS-based local-area augmentation system in Polar Regions and conducted performance evaluations through simulations.