• Title/Summary/Keyword: H$_2$

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The Ir(PPh$_3)_2\;(CO)OClO_3\;and\;Ir(PPh_3)_3N_2Cl$ Mediated Activation of Aldehyde C-H Bonds via Chelate-Assisted Oxidative Addition

  • Ko, Jae-Jung;Joo, Wan-Chul;Kong, Young-Kun
    • Bulletin of the Korean Chemical Society
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    • v.7 no.5
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    • pp.338-341
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    • 1986
  • Hydrocarbon solution of $Ir(PPh_3)_2(CO)OClO_3$ reacts with $Ph_2PC_6H_4$-o-CHO and 3-methyl-2-aminopyridinyl aldimine to yield ${\bar{Ir(Ph_2PC_6H_4-o-CO)}}\;(PPh_3)_2(CO)(H)ClO_4$(1) and ${\bar{Ir(NC_6H_6NC}}C_6H_5)(PPh_3)_2(CO)(H)ClO_4$(2), respectively. The compound $Ir(PPh_3)_2N_2Cl$ also reacts with $Ph_2PC_6H_4$-o-CHO and 3-methyl-2-aminopyridinyl aldimine to give ${\bar{Ir(Ph_2PC_6H_4-o-C}}O)(PPh_3)_2(H)Cl(3)$ and $Ir(NC_6H_5NCC_6H_5(PPh_3)_2(H)Cl(4)$, respectively. Compounds 1, 2, 3, and 4 were characterized by infrared, $^1H$ NMR, $^{31}p$ NMR, UV spectra, and conductivity measurements.

Ab Initio Study of the Structure and Binding Energy of HOOCl-H2O Cluster (HOOCl-H2O Cluster의 구조와 결합에너지에 대한 ab initio 연구)

  • Kim, Young-Mi;Sung, Eun-Mo
    • Journal of the Korean Chemical Society
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    • v.52 no.3
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    • pp.322-327
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    • 2008
  • The geometrical structure, binding energy and vibrational frequencies of HOOCl-H2O cluster were investigated with MP2/6-311G(d,p) and MP2/6-311G(2d,2p) methods. The most stable conformer is skew HOOCl-H2O cluster and the binding energy was 46~48kJ/mol. The trans HOOCl-H2O cluster is less stable than skew form, but the binding energy is big enough to stablize the complex. The vibrational frequencies of skew and trans HOOCl-H2O cluster were calculated and compared with the spectrum of HOOCl.

Study of the Librational Motion of $H_2$O Molecules in Hydrates by Neutron Inelastic Scattering

  • Kim, Huhn-Jun;Yoon, Byung-Gook
    • Nuclear Engineering and Technology
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    • v.11 no.1
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    • pp.1-20
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    • 1979
  • Neutron inelastic scattering studies on polycrystalline hydrates, NaBr-2$H_2O$ and BaCl$_2$-2$H_2O$ have been performed to observe librational modes. Assuming all observed peaks are from the $H_2O$ librational origin, the weighted frequency distribution functions are obtained by eliminating the contributions from the higher order processes. All of theoretical frequencies obtained using FG matrix method are dus to highly mixed modes, and therefore the modes identified as significant $H_2O$ librationat modes from their large potential energy distributions are assigned to the observed peaks. The H-bond interactions are estimated using a modified Lippincott Schroeder potential function, and the applicability of the potential function to the H-bond with highly bent or bifurcated configuration is examined on the basis of the shape of $H_2O$ librational potential energies. Some discussions are given on the usefulness of introducing O-H…Y bending terms in addition to the H…Y stretching in similar frequency calculation in order to obtain more information on the nature of H-bond. Also the purity and symmetry properties of the $H_2O$ librational modes are discussed using group theoretical analyses.

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The $H_2/ H_\infty$ control of inverted pendulum system using linear fractional representation (도립진자 시스템에 선형 분수 표현법을 이용한 $H_2/ H_\infty$ 제어)

  • 곽칠성;최규열
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.3 no.4
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    • pp.875-885
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    • 1999
  • This paper presents an application of LMI-based techniques to the mixed $H_2/ H_\infty$ control of an inverted pendulum. The linear model of the inverted pendulum represented by an LFR(Linear Fractional Representation) model of uncertainties is derived. Considered uncertainties are three nonlinear components and a parameter uncertainty Augmenting the LFR model by adding weighting functions, we get a generalized plant, for which we design a mixed $H_2/ H_\infty$ controller using the LMI technique. To evaluate control performances and robust stability of the mixed $H_2/ H_\infty$ controller designed, we compare it with the $ H_\infty$controller through the simulation and experiment. The mixed $H_2/ H_\infty$ controller shows the better control performances and robust stability than the $H_\infty$controller in the sense of pendulum angle.

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Self-Assembly of Vanadium Borophosphate Cluster Anions: Synthesis and Structures of (NH4)(C2H10N2)5.5[Cu(C2H8N2)2]3[V2P2BO12]6·17H2O and (NH4)(C2H10N2)3.5[Cu(C2H8N2)2]5[V2P2BO12]6·18H2O

  • Jung, Kyung-Na;Cho, Yoon-Suk;Yun, Ho-Seop;Do, Jung-Hwan
    • Bulletin of the Korean Chemical Society
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    • v.26 no.8
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    • pp.1185-1189
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    • 2005
  • Two new copper vanadium borophosphate compounds, $(NH_4)(C_2H_{10}N_2)_{5.5}[Cu(C_2H_8N_2)_2]_3[V_2P_2BO_{12}]_6{\cdot}17H_2O,\;Cu-VBPO1\;and\;(NH_4)(C_2H_{10}N_2)_{3.5}[Cu(C_2H_8N_2)_2]_5[V_2P_2BO_{12}]_6{\cdot}18H_2O$, Cu-VBPO2 have been hydrothermally synthesized and characterized by single crystal X-ray diffraction, thermogravimetric analysis, IR spectroscopy, and elemental analysis. The structure of Cu-VBPO1 contains a layer anion, {$[Cu(C_2H_8N_2)_2]_3[V_2P_2BO_{12}]_6$}$^{12-}$, whereas Cu-VBPO2 has an open framework anion, {$[Cu(C_2H_8N_2)_2]_5[V_2P_2BO_{12}]_6$}$^{8-}$. Crystal Data: $(NH_4)(C_2H_{10}N_2)_{5.5}[Cu(C_2H_8N_2)_2]_3[V_2P_2BO_{12}]_6{\cdot}17H_2O$, monoclinic, space group I2/m (no. 12), $\alpha$ = 15.809(1) $\AA$, b = 31.107(2) $\AA$, c = 12.9343(8) $\AA$, $\beta$ = 104.325(1)$^{\circ}$, Z = 2; $(NH_4)(C_2H_{10}N_2)_{3.5}[Cu(C_2H_8N_2)_2]_5[V_2P_2BO_{12}]_6{\cdot}18H_2O$, tetragonal, space group $P4_2$/mnm (no.136), $\alpha$ = 26.832(1) $\AA$, c = 18.021(1) $\AA$, Z = 4.

The Rate of Superoxide Radical (${O_2}^-$.) Production in Normal Fenton's Reagent at Different pHs (펜톤반응에서 pH의 변화에 따른 superoxide radical (${O_2}^-$.)의 생성)

  • 김용수;공성호;김재호
    • Journal of Soil and Groundwater Environment
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    • v.7 no.2
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    • pp.73-81
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    • 2002
  • In normal Fenton's reagent, the reductive mechanism of carbon tetrachloride (CT) with superoxide radical (${O_2}^-$.) was observed and the rate of ${O_2}^-$. production was investigated as a function of $H_2O$$_2$ concentration and pH. As pH was increased, the rate of 1-hexanol degradation was rapidly decreased from 90% (at pH 3) to 5% (at pH 11). On the other hand, more degradation of carbon tetrachloride was observed at higher pH regimes indicating Fenton's reaction is an oxidant-reductant co-existing system at neutral pHs. The rate of $O_2^{-}$ . production was observed at different $H_2$$O_2$ concentrations and at different pHs. The rate increased from (45.3$\pm$7.8) x $10^{-6}$ M/s to (151.0$\pm$26.2) x $10^{-6}$ M/s ($294mM H_2$$O_2$) at pH 11: the rate 3150 increased from (22.1$\pm$3.8) x $10^{-6}$ M/s at pH 7 to (151.0$\pm$26.2) x $^10{-6}$ M/s at pH 11 with 294mM $H_2$$O_2$, These results showed that Fenton's reagent could be applied at wide pH regimes. Especially, carbon tetrachloride, which can not be easily adsorbed to soils and then can be dissolved into groundwater causing a cancer, could be efficiently treated by Fenton's reagent.reagent.

Hydrocarbon Gas Permeation Characteristics of PTMSP/LDH Composite Membranes (PTMSP/LDH 복합막의 탄화수소 기체투과 특성)

  • Jeong, Yeon-Eim;Lee, Hyun-Kyung
    • Membrane Journal
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    • v.24 no.6
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    • pp.423-430
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    • 2014
  • PTMSP/LDH composite membranes were prepared by adding 0, 1, 3, and 5 wt% LDH contents to PTMSP. The gas permeability and selectivity for $H_2$, $N_2$, $CH_4$, $C_3H_8$, $n-C_4H_{10}$ were investigated as a function of LDH content. As LDH content of PTMSP/LDH composite membranes increased to 5 wt%, the gas permeability for $H_2$ and $N_2$ gradually decreased, while $n-C_4H_{10}$ permeability rapidly increased. The gas permeability for $CH_4$ and $C_3H_8$ was found to decrease for the membranes with LDH content range of 0~3 wt%, however increase in the range of 3~5 wt%. As LDH content of PTMSP/LDH composite membranes increased to 5 wt%, the selectivity of membranes gradually increased for $H_2$, $N_2$, $CH_4$, $C_3H_8$, $n-C_4H_{10}$ over $H_2$, $N_2$. However the selectivity for $C_3H_8$ and $n-C_4H_{10}$ over $CH_4$ increased in the range of LDH content 0~3 wt% but decreased in the range of 3~5 wt%. The $CH_4$ and $n-C_4H_{10}$ selectivity over $H_2$ and $N_2$ increased as $CH_4$ and $n-C_4H_{10}$ permeability increased. The $n-C_4H_{10}$ selectivity over $CH_4$ increased with increasing $n-C_4H_{10}$ permeability up to 182,000 barrer and decreased above 182,000 barrer of $n-C_4H_{10}$ permeability. The $C_3H_8$ selectivity over $H_2$ and $N_2$ was found to decrease as the $C_3H_8$ permeability increased from 46,000 to 50,000 barrer, but to increase with increasing permeability from 50,000 to 52,300 barrer and decrease again with increasing permeability from 52,300 to 60,000 barrer. The $C_3H_8$ selectivity over $CH_4$ was found to decrease with increasing $C_3H_8$ permeability up to 52,300 barrer but increase above 52,300 barrer.

Direct Synthesis of H2O2 over Ti-Containing Molecular Sieves Supported Gold Catalysts: A Comparative Study for In-situ-H2O2-ODS of Fuel

  • Zhang, Han;Liu, Guangliang;Song, Haiyan;Chen, Chunxia;Han, Fuqin;Chen, Ping;Zhao, Zhixi;Hu, Shaozheng
    • Bulletin of the Korean Chemical Society
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    • v.34 no.10
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    • pp.3065-3072
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    • 2013
  • Direct synthesis of $H_2O_2$ and in situ oxidative desulfurization of model fuel over Au/Ti-HMS and Au/TS-1 catalysts has been comparatively investigated in water or methanol. Maximum amount (82%) of active $Au^0$ species for $H_2O_2$ synthesis was obtained. Au/Ti-HMS and Au/TS-1 exhibited the contrary performances in $H_2O_2$ synthesis as $CH_3OH/H_2O$ ratio of solvent changed. $H_2O_2$ decomposition and hydrogenation in water was inhibited by the introduction of methanol. Effect of $O_2/H_2$ ratio on $H_2O_2$ concentration, $H_2$ conversion and $H_2O_2$ selectivity revealed a relationship between $H_2O_2$ generation and $H_2$ consumption. The highest dibenzothiophene removal rate (83.2%) was obtained over Au/Ti-HMS in methanol at 1.5 of $O_2/H_2$ ratio and $60^{\circ}C$. But removal of thiophene over Au/TS-1 should be performed in water without heating to obtain a high removal rate (61.3%). Meanwhile, $H_2$ conversion and oxidative desulfurization selectivity of $H_2$ were presented.

Evaluation for Rock Cleavage Using Distribution of Microcrack Spacings (II) (미세균열의 간격 분포를 이용한 결의 평가(II))

  • Park, Deok-Won
    • The Journal of the Petrological Society of Korea
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    • v.25 no.2
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    • pp.151-163
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    • 2016
  • The characteristics of the rock cleavage in Jurassic granite from Geochang were analysed. The evaluation for the three directions of rock cleavages was performed using the parameters such as (1) frequency of microcrack spacing(N), (2) total spacing(${\leq}1mm$), (3) mean spacing($S_{mean}$), (4) difference value($S_{mean}-S_{median}$) between mean spacing($S_{mean}$) and median spacing($S_{median}$), (5) density of spacing(${\rho}$), (6) difference value between two exponents for the whole range of the diagrams(${\lambda}_H-{\lambda}_L$), (7) mean value of exponent(${\lambda}_M$), (8) mean value of exponential constant($a_M$), (9) difference value between two exponents for the section under the initial points of intersection(${\lambda}t_H-{\lambda}t_L$), (10) mean value of exponent(${\lambda}t_M$) and (11) mean value of exponential constant($at_M$). The results of correlation analysis between the values of parameters for three rock cleavages and those for three planes are as follows. The values of (I) parameters(1, 2, 7 and 8) and (II) parameters(3, 4 and 5) are in orders of (I) H(hardway, (H1 + H2)/2) < G(grain, (G1 + G2)/2) < R(rift, (R1 + R2)/2) and (II) R < G < H. On the contrary, the values of the above two groups(I~II) of parameters for three planes show reverse orders. Besides, the values of parameter $6({\lambda}_H-{\lambda}_L)$, parameter $9({\lambda}t_H-{\lambda}t_L)$, parameter $10({\lambda}t_M)$ and parameter $11(at_M)$ for three planes are in orders of R(rift plane, (G1 + H2)/2) < H(hardway plane, (R2 + G2)/2) < G(grain plane, (R1 + H2)/2), H < G < R, H < R < G and R < H < G, respectively. The values of the above four parameters for three rock cleavages show the various orders of R < H < G, R < H < G, H < G < R and H < G < R, respectively. Meanwhile, the spacing values equivalent to the initial points of contact and intersection between the two directions of diagrams were derived. The above spacing values for three rock cleavages are in order of rift(R1 and R2) < grain(G1 and G2) < hardway(H1 and H2). The spacing values for three planes are in order of rift plane(G1 and H1) < hardway plane(R2 and G2) < grain plane(R1 and H2). In particular, the intersection angles for three rock cleavages and three planes are in order of rift and rift plane < hardway and hardway plane < grain and grain plane. Consequently, the two diagrams of rift(R1 and R2) and rift plane(G1 and H1) show higher frequency of the point of contact and intersection. These characteristics of change were derived through the general chart for three planes and three rock cleavages. Lastly, the correlation analysis through the values of parameters along with the distribution pattern is useful for discriminating three quarrying planes.

The Effect of $H_2O/H_2S$ Concentration in the Coal Gas on the Desulfurization Performance of Zn-Based Sorbents in a Fluidized-Bed Reactor (석탄가스에 함유된 $H_2O/H_2S$ 농도가 유동층반응기에서 아연계 건식탈황제의 성능에 미치는 영향)

  • Park, Young-Cheol;Jo, ung-Ho;Jin, Gyoung-Tae;Lee, Seung-Yong;Yi, Chang-Keun
    • 한국신재생에너지학회:학술대회논문집
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    • 2009.06a
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    • pp.871-872
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    • 2009
  • 본 연구에서는 석탄가스에 함유된 $H_2O/H_2S$ 농도변화에 따른 세가지 종류의 아연계 탈황제의 반응성능을 회분식 유동층반응기에서 분석하였다. 가스화에서 생성되는 가스의 조성은 모사가스를 이용하여 입구의 $H_2O$$H_2S$ 농도를 변화시켜 실험을 수행하였다. $H_2O$의 농도는 5%부터 30%까지 $H_2S$의 농도는 0.5%에서 2%로 변화시켜 탈황성능을 분석하였다. 실험 결과 $H_2O$의 농도가 증가할수록 탈황성능이 감소하였다. 입구의 $H_2S$ 농도가 증가할수록 탈황반응기 후단의 $H_2S$ 농도 역시 증가하였으나, 탈황성능은 최저 99.5%로 건식탈황제를 이용하여 99% 이상의 $H_2S$ 제거 성능을 보이는 것을 확인하였다.

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