• Transactions of the Korean Society of Mechanical Engineers A
• /
• v.20 no.2
• /
• pp.488-499
• /
• 1996

SMC(Sheet molding compound) is a thermosetting material reinforced with chopped fiberglass. The compression molding of SMC was analyzed based on a rigid thermo-viscoplastic approach using a three dimensional finite element program coupled with temperatures. Only the temperature analysis part was tested in this paper by solving one-dimensional heat transfer problem and comparing with the exact solutions available in the literature. Based on this comparison the program was proved to be valid and was further applied in solving compression molding of SMC between flat dies. To investigate the usefulness of a rigid thermo-viscoplastic approach in the compression molding analysis of SMC charge, compression of rectangular shaped SMC charge at plane strain and three dimensionalde formation condition was analyzed under the same condition as given in the literature. From this comparison it was found out that the rigid thermo-viscoplastic approach was useful in analyzing SMC compression molding between flat dies.

• Bulletin of the Korean Chemical Society
• /
• v.29 no.3
• /
• pp.546-550
• /
• 2008

The title compound of nicotinato lead(II) complex [Pb$(C_5H_4NCOO)_2$] has been optimized at B3LYP/LANL2DZ and HF/LANL2DZ levels of theory. The calculated results show that the lead(II) ion adopts 2- coordinate geometry, which is the same as its crystal structure and different from the 4-coordinate geometry of isonicotinato lead(II) complex. Atomic charge distributions indicate that during forming the title compound, each nicotinic acid ion transfers their negative charges to central lead(II) ion. The electronic spectra calculated by B3LYP/LANL2DZ level show that there exist two absorption bands, which have some red shifts compared with those of isonicotinato lead(II) complex and the electronic transitions are mainly derived from intraligand $\pi$ -$\pi$ transition and ligand-to-metal charge transfer (LMCT) transition. CIS-HF method is not suitable for the system studied here. The thermodynamic properties of the title compound at different temperatures have been calculated and corresponding relations between the properties and temperature have also been obtained. The second order optical nonlinearity was calculated, and the molecular hyperpolarizability was $1.147754{\times}10^{-30}$ esu.

• Bulletin of the Korean Chemical Society
• /
• v.30 no.12
• /
• pp.3109-3112
• /
• 2009

• Bulletin of the Korean Chemical Society
• /
• v.7 no.3
• /
• pp.196-200
• /
• 1986

The solvent change and salt do not affect the fluorescence quantum yield of 1,3-dimethylnaphtho[1,2-e]uracil indicating the considerable energy gap between the lowest singlet $({\pi},\;{\pi}^{\ast})\;and\;(n,\;{\pi}^{\ast})$ states in the compound. The results are consistent with the strong quenching of fluorescence by ethyl iodide. Fluorescence quantum yield is nearly independent of temperature, probably due to the relatively inefficient internal conversion. Unusual spectral difference is observed in isopentane and ethanol at 77K. The temperature dependence of emission in isopentane and in ethanol suggests that the increase of charge transfer character by the conformational change in isopentane leads to the structureless and red-shifted fluorescence, while in ethanol the decrease of the charge transfer character by the hydrogen bonding interaction results in the structured and blue-shifted fluorescence along with phosphorescence at the low temperature. Temperature dependence of emission in poly(methylmethacrylate) matrix indicates that $T_1{\to}S_0$ radiationless decay is an important process responsible for the strong temperature dependence of phosphorescence.

• Applied Chemistry for Engineering
• /
• v.10 no.2
• /
• pp.196-200
• /
• 1999

The electrochemical properties of 9-methyl-2,3,6,7-tetramethoxyfluorene have been investigated by cyclic voltammetry in acetonitrile, dichloromethane, trifluoroacetic acid (TFA) and trifluoroacetic acid anhydride (TFAn). The first charge transfer for the compound in $CH_3CN$ appeared to be a quasi-reversible one-electron step. The second oxidation step from cation to dication was irreversible. However, the oxdition of the compound in a mixture of solvents containing $CH_2Cl_2$, TFA and TFAn was reversible for both the first and second charge transfer reactions. Since the electrolytic products display a darkblue color and can be stabilized in the solvent mixture, they may be used as an electrochromic material.

• Environmental Sciences Bulletin of The Korean Environmental Sciences Society
• /
• v.10 no.S_3
• /
• pp.121-126
• /
• 2001

The techniques of pulse and cyclic voltammetry were applied to the determination of (E$_{1}$2)$_2$-(E$_{1}$2)$_1$ for two-step electrochemical charge transfers. In addition, a simple amplitude was derived far the dependence of the differential pulse response on (E$_{l}$ 2/)$_1$ and (E$_{1}$2/)$_2$. and the use of peak to peak separation in cyclic voltammetry and differential pulse methods was evaluated. A comparison of the comproportionation constants(Ke) from differential pulse and cyclic voltammetry methods exhibited a good agreement within 5%.

• Bulletin of the Korean Chemical Society
• /
• v.14 no.1
• /
• pp.132-137
• /
• 1993

The electronic structure of two dimensional layered compound, FeOCl, is studied with the band model and the cluster model approximation employing Extended-Huckel (EH) method. We examine the effects of intercalation (e.g., localization of transferred electron, conductivity increase). FeOCl has the electronic structure typical for layered compounds as expected. For FeOCl-$Li_{1/2}$ system, the charge transfer from Li to the FeOCl lattice occurs, and electrons are built up almost exclusively on Fe atoms. The partially filled band of FeOCl-$Li_{1/2}$ complex is responsible for the increase in conductivity.

• Journal of Electrochemical Science and Technology
• /
• v.7 no.2
• /
• pp.153-160
• /
• 2016

The inhibition ability of N,N-bis(2,4-dihydroxyhydroxybenzaldehyde)-1,3-Propandiimine (DHBP) as a schiff base against the corrosion of API-5L-X65 steel in 1 M HCl solution was evaluated by electrochemical impedance spectroscopy, potentiodynamic polarization and scanning electron microscopy. Electrochemical impedance studies indicated that DHBP inhibited corrosion by blocking the active corrosion sites. The inhibition efficiency increased with increasing inhibitor concentrations. EIS data was analysed to equivalent circuit model and showed that the charge transfer resistance of steel increased with increasing inhibitor concentration whilst the double layer capacitance decreased. The adsorption of this compound obeyed the Langmuir adsorption isotherm. Gibbs free energy of adsorption was calculated and indicated that adsorption occurred through physical and spontaneous process. The corrosion inhibition mechanism was studied by potential of zero charge. Polarization studies indicated that DHBP retards both the cathodic and anodic reactions through adsorption on steel surface. Scanning electron microscopy was used to study the steel surface with and without inhibitor.

• Journal of the Korean Crystal Growth and Crystal Technology
• /
• v.7 no.4
• /
• pp.548-554
• /
• 1997

The single crystal of $Mg_{0.16}Zn_{0.84}$Te:Co(Co:0.01 mole%) was grown by vertical Bridgman method. The crystal structure of $Mg_{0.16}Zn$_{0.84}$Te:Co and optical absorption properties of this compound were studied. The grown single crystal has a cubic structure and a lattice constant a=6.1422 $\AA$ were determined by X-ray diffraction. As a result of the optical absorption spectra of $Mg_{0.16}Zn_{0.84}$Te:Co, the intracenter transitions due to $Co^{2+}$ ions were detected for $A-band:^4A_2(^4F){\to}^4T_2(^4F),\; B-band:^4A_2(^4F){\to}^4T_1(^4F), C- band:^4A_2(^4F){\to}^4T_1(^4P)$.The charge transfer transition near the absorption edge was observed in the wavelength range of 550 to 770 nm. According to the crystal field theory, the crystal field parameter(Dq) and the Racah parameter(B) were determined.

• Bulletin of the Korean Chemical Society
• /
• v.32 no.9
• /
• pp.3223-3228
• /
• 2011

To quantify the presence of mercuric ions in aqueous solution, double-stranded DNA (dsDNA) of poly(dT) was employed using a light switch compound, $Ru(phen)_2(dppz)^{2+}$ (1) which is reported to intercalate into dsDNA of a right-handed B-form. Addition of mercuric ions induced the dehybridization of poly(dT)${\cdot}$poly(dA) duplexes to form a hairpin structure of poly(dT) at room temperature and the metal-to-ligand charge transfer emission derived from the intercalation of 1 was reduced due to the dehybridization of dsDNA. As the concentration of $Hg^{2+}$ was increased, the emission of 1 progressively decreased. This label-free emission method had a detection limit of 0.2 nM. Other metal ions, such as $K^+$, $Ag^+$, $Ca^{2+}$, $Mg^{2+}$, $Zn^{2+}$, $Mn^{2+}$, $Co^{2+}$, $Ni^{2+}$, $Cu^{2+}$, $Cd^{2+}$, $Cr^{3+}$, $Fe^{3+}$, had no significant effect on reducing emission. This emission method can differentiate matched and mismatched poly(dT) sequences based on the emission intensity of dsDNA.