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Chloromethylation of Naphthalene and Mathematical Planning of Experiment for Revealing Optimal Synthetic Conditions

  • V.V. Pak;R.K. Karimov;Kh.M. Shakhidoyatov;L.M. Yun;Soh, Dea-Wha
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 2004.05a
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    • pp.36-37
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    • 2004
  • $\alpha$-Chloromethylnaphthalene is a valuable compound for obtaining of the plant growing stimulator - $\alpha$-napthylacetic acid. Chloromethylation of naphthalene by paraformaldehyde in the presence of glacial acetic acid, phosphoric and hydrochloric acids at temperature 80-85$^{\circ}C$ and duration - 6 hours the $\alpha$-chloromethyl-naphthalene yield was 55-57%. Using Box-Wilson method for mathematical planning of experiment carried out optimization of its synthesis for purpose increasing $\alpha$-chloromethylnaphthalene yield. Preliminary, one - factor experiments were carried out for selecting independence main parameters influencing on the synthesis. A full factor experiment of 2$^3$with extended matrix of planning was used for optimization. Aiming to increase the $\alpha$-chloromethylnaphthalene yield, the obtained mathematical model was used for program of sharp raising on the reply surface. The received optimal conditions for the $\alpha$-chloromethylnaphthalene synthesis were selected as following: molar ratio of naphthalene - parapfsormaldehyde of 1 : 2; temperature -105$^{\circ}C$; duration of the reaction -3 hours. The yield of $\alpha$-chloromethylnaphthalene under these optimal conditions was 75 %.

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Matrix effect of Ti and Zr-2.5Nb sample for hydrogen analysis by Inert Gas Fusion-Thermal Conductivity Detection(IGF-TCD) Method (불활성기체용해-열전도도검출법에 의한 수소분석시 티타늄 및 지르코늄-2.5니오븀 시료의 매질효과)

  • Park, Soon-Dal;Choi, Ke-Chon;Kim, Jung-Suk;Kim, Jong-Gu;Joe, Kih-Soo;Kim, Won-Ho
    • Analytical Science and Technology
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    • v.16 no.4
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    • pp.261-268
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    • 2003
  • To investigate the matrix effect of sample for hydrogen analysis by inert gas fusion-thermal conductivity detection, calibration factor for the hydrogen analyser of the inert gas fusion-thermal conductivity detection method was measured with hydrogen standard materials in Ti, Zr-2.5Nb and by hydrogen gas dosing method. Also the hydrogen extraction efficiency for the different sample matrix, Ti and Zr-2.5Nb, was evaluated without adding tin flux. The calibration factor of the hydrogen analyser which was calibrated by hydrogen standard material in Zr-2.5Nb and Ti was 2~3% and 14% higher than that by hydrogen gas dosing method, respectively. Based on the results of calibration factor measurement, it could be concluded that the hydrogen extraction efficiency of the Ti matrix sample will be 12% lower than that of the Zr-2.5Nb. And according to the experimental results of hydrogen recovery test by no tin flux, the hydrogen recovery percentage of the Ti and Zr-2.5Nb matrix sample was about 70% but the recovery rate of Ti matrix sample was slightly lower than that of Zr-2.5Nb.

Thermodynamics of Partitioning of Substance P in Isotropic Acidic Bicelles

  • Baek, Seung Bin;Lee, Hyeong Ju;Lee, Hee Cheon;Kim, Chul
    • Bulletin of the Korean Chemical Society
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    • v.34 no.3
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    • pp.743-748
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    • 2013
  • The temperature dependence of the partition coefficients of a neuropeptide, substance P (SP), in isotropic acidic bicelles was investigated by using a pulsed field gradient nuclear magnetic resonance diffusion technique. The addition of negatively charged dimyristoylphosphatidylserine to the neutral bicelle changed the SP partitioning a little, which implies that the hydrophobic interaction between the hydrophobic residues of SP and the acyl chains of lipid molecules is the major interaction while the electrostatic interaction is minor in SP binding in a lipid membrane. From the temperature dependence of the partition coefficients, thermodynamic functions were calculated. The partitioning of SP into the acidic bicelles is enthalpy-driven, as it is for small unilamellar vesicles and dodecylphosphocholine micelles, while peptide partitioning into a large unilamellar vesicle is entropy-driven. This may mean that the size of lipid membranes is a more important factor for peptide binding than the surface curvature and surface charge density.

HCA AND TWC HYBRID SYSTEM FOR REDUCING COLD-START EMISSION

  • Lee, S.C.;Jang, J.H.;Lee, B.Y.;Bae, J.H.;Choung, S.J.
    • International Journal of Automotive Technology
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    • v.5 no.1
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    • pp.1-7
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    • 2004
  • In line with the Super Ultra Low Emission Vehicle (SULEV) regulation, the main idea in this study has been focused on the utilization of hydrocarbon adsorber (HCA) to adsorb the excess hydrocarbons emitted during a period of engine cold-start, As main recipes of HCA materials, many types of zeolite as well as the combination of alumina and precious metals were used, Representative physico-chemical factors of zeolite such as acidic and hydrophobic properties were characterized. The optimum recipe of HCA materials was also determined. Among the acid properties of zeolites, the Si/Al ratio was found to be the most important factor to get higher hydrocarbon adsorption capacity.

Novel Organic Sensitizers with a Quinoline Unit for Efficient Dye-sensitized Solar Cells

  • Choi, Hye-Ju;Choi, Hyun-Bong;Paek, Sang-Hyun;Song, Ki-Hyung;Kang, Moon-Sung;Ko, Jae-Jung
    • Bulletin of the Korean Chemical Society
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    • v.31 no.1
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    • pp.125-132
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    • 2010
  • Three organic sensitizers, JK-128, JK-129, and JK-130 containing quinoline unit are designed and synthesized. Under standard global AM 1.5 solar condition, the JK-130 sensitized solar cell gave a short circuit photocurrent density of 11.52 mA $cm^{-2}$, an open circuit voltage of 0.70 V, and a fill factor of 0.75, corresponding to an overall conversion efficiency of 6.07%. We found that the $\eta$ of JK-130 was higher than those of other two cells due to the higher photocurrent. The higher $J_{sc}$ value is attributed to the broad and intense absorption spectrum of JK-130.

The Crystal and Molecular Structure of 1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl) Urea: Tolazamide ($C_{14}H_{21}N_3O_3S$)

  • Koo, Chung-Hoe;Suh, Jung-Sun;Yeon, Young-Hee;Watanabe, Tokunosuke
    • Archives of Pharmacal Research
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    • v.11 no.1
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    • pp.74-79
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    • 1988
  • Crystals of tolazamide, $C_{14}H_{21}N_3O_3S$, are triclinic space group $P{\bar{1}}$ with cell dimensions of a = 6.355 (2), b = 9.223 (2), c = 13.510 (3) A, ${\alpha}\;=\;101.04\;(8),\;{\beta}=92.80(5),\;{\gamma}\;=\;85.72\;(6)^{\circ}$ and Z = 2. Intensities were collected on an automated four-circle diffractometer using graphite-monochromated Cu K ${\alpha}$ radiations. The structure was solved by direct method and refined by full-matrix least-squares to an R factor of 0.058 for 1184 observed reflections. The molecules are dimerized by the $N-H{\cdots}O$ hydrogen bonds. There are only van der Waals interactions between these molecular dimers.

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Study of Diffusion Controlled Reactions in Liquids: A Perturbation Series Solution and a Numerical Solution of the Smoluchowski Equations

  • Mino Yang;Sangyoub Lee;Kim Yung Sik;Kook Joe Shin
    • Bulletin of the Korean Chemical Society
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    • v.10 no.6
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    • pp.529-535
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    • 1989
  • A general perturbation series solution of the Smoluchowski equation is applied to investigate the rate of recombination and the remaining probability of a pair of particles in liquids. The radiative boundary condition is employed and the convergence of the perturbation series is analyzed in terms of a convergene factor in time domain. The upper bound to the error introduced by the n-th order perturbation scheme is also evaluated. The long time behaviors of the rate of recombination and the remaining probability are found to be expressed in closed forms if the perturbation series is convergent. A new and efficient method of purely numerical integration of the Smoluchowski equation is proposed and its results are compared with those obtained by the perturbation method. For the two cases where the interaction between the particles is given by (i) the Coulomb potential and (ii) the shielded Coulomb potential, the agreement between the two results is found to be excellent.

Assessment of CFD Estimation Capability for the Local Loss Coefficients of Sudden Contraction and Expansion (급격 확대 및 축소관의 압력손실계수에 대한 전산유체역학 해석의 예측성능 평가)

  • Kim, Hyun-Jung;Park, Jong-Pil
    • Applied Chemistry for Engineering
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    • v.21 no.3
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    • pp.258-264
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    • 2010
  • Most of fluid systems, such as P&ID in ships, power plants, and chemical plants, consist of various components. The components such as bends, tees, sudden-expansions, sudden-contractions, and orifices contribute to overall pressure loss of the system. The local pressure losses across such components are determined using a pressure loss coefficient, k-factor, in lumped parameter models. In many engineering problems Idelchik's k-factor models have been used to estimate them. The present work compares the k-factor based on CFD calculation against Idelchik's model in order to confirm whether a commercial CFD package can be used for pressure loss coefficient estimation of complex geometries. The results show that RSM is the best appropriate for evaluating pressure loss coefficient. Commercial CFD package can be used as a tool evaluating k-factor even though the accuracy is influenced by a turbulence model.

A Macrocyclization of (2R)-2-(N,N-Ditosylimido) -3-butenyl methyl malonate by Using Palladium Catalyst (팔라듐 촉매를 이용한 (2R)-2-(N,N-Ditosylimido)-3-butenyl methyl malonate의 거대고리화 반응)

  • Kim, Gyu-Soon;Rhee, Hak-June
    • Journal of the Korean Chemical Society
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    • v.44 no.1
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    • pp.30-36
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    • 2000
  • Upon Pd(0)-catalyzed coupling reaction of (2R)-2-(N,N-ditosylimido)-3-butenyl methyl malonate (4) which was selected for the total synthesis of A-factor, (3R)-2-(6-methylheptanoyl)-3-hydroxy methyl-4-buttinolide (1), an unexpected 14-membered cyclic compound, bis(2-methoxycabonyl-(4E)-hexenolide) (15) was obtained. The structure of this compound was conformed by X-ray crystallography. This result implies that this method can be applied the synthesis of various size of symmetrical macrocyclic compounds.

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Cure Kinetcs of DGEBA/MDA/GN/HQ System by DSC Analysis (DSC 분석에 의한 DGEBA/MDA/GN/HQ계의 경화반응 속도론)

  • Lee, J.Y.;Shim, M.J.;Kim, S.W.
    • Applied Chemistry for Engineering
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    • v.5 no.5
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    • pp.904-909
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    • 1994
  • Cure kinetics of DGEBA(diglycidyl ether of bisphenol A)/MDA(4,4'-methylene dianiline)/GN(glutaronitrile) system with and without HQ(hydroquinone) as a catalyst was studied by Kissinger equation and Fractional life method. The activation energy of the system with HQ was somewhat lower and the pre-exponential factor of that was higher by about 30% than those of the system without HQ. As 1.25phr of HQ was added, reaction rates increased about 1.8 times.

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