• 제목/요약/키워드: internal bond

검색결과 190건 처리시간 0.026초

Shape Selective Oxygen Transfer to Olefins Catalyzed by Sterically Hindered Iron Porphyrins

  • Ahn, Kwang-Hyun;Groves, John T.
    • Bulletin of the Korean Chemical Society
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    • 제15권11호
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    • pp.957-961
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    • 1994
  • Epoxidation of olefins catalyzed by iron-tetraarylporphyrins were studied to see the shape selectivity in the competing reaction between cis-and trans- or internal and external olefins. Cis-olefins were more reactive than trans-olefins in the competing reaction between cis-and trans-olefins. Interestingly, in the epoxidation of $cis-{\beta}-methystyrene$ by ${\alpha}{\beta}{\alpha}{\beta}$ atropisomer of Fe(III)TNPPPCl and iodosylbenzene, 27% of total product was phenylacetone. The unusually large amount of phenylacetone may be produced by hydride rearrangement of carbocationic intermediate. Regioselectivity of the reaction was also studied by using the most sterically hindered Fe(III)TTPPPCl. In the epoxidation of limonene with Fe(III)TTPPPCl, the disubstituted double bond was more reactive than trisubstituted double bond. This is in contrast to the results obtained with other iron-tetraarylporphyrins. Similar trend was also observed in the competing reaction between mono-and di-substituted olefins.

결합공간과 반결합공간 (제2보). $H_2O_2$$C_2H_6$의 Internal Rotation Barrier의 원천적 요인 (Bonding and Antibonding Regions (II). Origin of Barriers to Internal Rotation of $H_2O_2$ and $C_2H_6$)

  • 김호징;이덕환
    • 대한화학회지
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    • 제23권1호
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    • pp.20-29
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    • 1979
  • 과산화수소와 에탄의 integral rotation barrier의 원천적 요인을 결합 공간과 반결합 공간의 개념을 이용하여 연구하였다. internal rotation barrier는, 중심 원자의 존재로 인하여 천이밀도가 중심 원자가 없을 때보다 더 많이 반결합 공간으로 쏠림에 기인 함을 밝혔다. 이러한 천이밀도의 쏠림은 강한 O-H (또는 C-H) 결합에 의하여 내부 회전에 따른 전자밀도의 변화가 적어지는 것으로 설명할 수 있음을 보였다.

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Thermal-pressure loading effect on containment structure

  • Kwak, Hyo-Gyoung;Kwon, Yangsu
    • Structural Engineering and Mechanics
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    • 제50권5호
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    • pp.617-633
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    • 2014
  • Because the elevated temperature degrades the mechanical properties of materials used in containments, the global behavior of containments subjected to the internal pressure under high temperature is remarkably different from that subjected to the internal pressure only. This paper concentrates on the nonlinear finite element analyses of the nuclear power plant containment structures, and the importance for the consideration of the elevated temperature effect has been emphasized because severe accident usually accompanies internal high pressure together with a high temperature increase. In addition to the consideration of nonlinear effects in the containment structure such as the tension stiffening and bond-slip effects, the change in material properties under elevated temperature is also taken into account. This paper, accordingly, focuses on the three-dimensional nonlinear analyses with thermal effects. Upon the comparison of experiment data with numerical results for the SNL 1/4 PCCV tested by internal pressure only, three-dimensional analyses for the same structure have been performed by considering internal pressure and temperature loadings designed for two kinds of severe accidents of Saturated Station Condition (SSC) and Station Black-out Scenario (SBO). Through the difference in the structural behavior of containment structures according to the addition of temperature loading, the importance of elevated temperature effect on the ultimate resisting capacity of PCCV has been emphasized.

Utilization of Pyrolysis Oil from Pine Wood as Thermosetting Wood Adhesive Resins

  • Kim, Jae-Woo;Myers, Deland J.;Brown, Robert C.;Kuo, Monlin
    • Journal of the Korean Wood Science and Technology
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    • 제35권2호
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    • pp.51-60
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    • 2007
  • In this study, the possibility of using pyrolysis oil as wood adhesives was explored. Especially, adhesives were formulated by reacting pyrolysis oil and formaldehyde and also partially replacing phenol with pyrolysis oil in phenol-formaldehyde (PF) adhesive and soy hydrolizate/PF adhesive formulation. The pine wood was fast pyrolyized and the oils were obtained from a series of condensers in the pyrolysis system. The oils from each condenser were first reacted with formaldehyde to explore potential use of the oil itself as adhesive. The lap-shear bond strength test results indicated that the oil itself could be polymerized and form bonds between wood adherends. The oils from each condenser were then mixed together and used as partial replacement of phenol (25, 33, and 50% by weight) in phenol-formaldehyde adhesive. The bond strength of the oil containing PF adhesives was decreased as percent phenol replacement level increased. However, no significant difference was found between 25 and 33% of phenol replacement level. The oil-contained PF resins at 25, 33, and 50% phenol replacement level with different NaOH/Phenol (Pyrolysis oil) molar ratio were further formulated with soy hydrolizate to make soy hydrolizate/pyrolysis oil-phenol formaldehyde adhesive at 6:4 weight (wt) ratio and used for fiberboard manufacturing. Surface internal bond strength (IB) of the boards bonded with 33% replacement at 0.3 NaOH/Phenol (Pyrolysis oil) molar ratio performed better than other replacement levels and molar ratios. Thickness swelling after 24 hr cold water soaking and after 2 hr in boiling water was increased as % replacement of pyrolysis oil increased.

고도정수처리용 콘크리트 금속용사 피막의 내오존성 및 오존처리 후 부착강도 평가에 관한 실험적 연구 (Experimental Study on Evaluation of Bond Strength after Ozone Treatment and Ozone Resistance of Concrete Metal Spray Coating for Advanced Water Treatment)

  • 박진호;장현오;이한승
    • 한국구조물진단유지관리공학회 논문집
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    • 제22권4호
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    • pp.68-75
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    • 2018
  • 기존의 정수처리 방법으로는 제거되지 않는 물질이 발생함에 고도정수 처리 시설의 도입이 증가하고 있다. 그러나 오존을 이용한 고도정수처리 시설의 내부 방수 방식재는 오존의 산화력에 의해 열화되며 콘크리트까지 영향을 미쳐 내구성 저하의 원인이 된다. 본 연구에서는 내오존성 및 내화학성이 뛰어난 금속 패널을 기존의 시공법 보다 손쉬운 방법으로 시공하기 위한 방법으로 금속용사 공법을 이용하여 수처리 시설 콘크리트 구조물의 열화를 원천적으로 방지하기 위한 마감공법 개발 연구의 일원으로 용사금속 종류 및 피막의 표면처리 방법에 따른 내오존성 평가를 실시하였으며, 오존처리 후의 부착강도를 평가하였다. 실험결과 용사금속 Ti이 용사 후에도 내오존성이 뛰어난 것으로 나타났으며 표면처리 방법으로는 테프론계 봉공처리제를 사용하여 마감하는 것이 내오존성 및 부착성능 확보에 가장 적합한 방법이라 판단된다.

Camphoroquinone이 복합레진의 특성에 미치는 영향 (INFLUENCES OF CAMPHOROQUINONE ON THE PROPERTIES OF COMPOSITES)

  • 탁흥수;박상진
    • Restorative Dentistry and Endodontics
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    • 제26권1호
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    • pp.41-50
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    • 2001
  • The purpose of this study was to examine the influences of camphoroquinone on the properties of five experimental composites. The contents of camphoroquinone were varied as 0.2%, 0.3%, 0.4%, 0.5%, and 0.6%, with silanized filler 75% and tertiary amine 0.2%. Five kinds of experimental composites were prepared, and diametral tensile strength, shear bond strength, depth of cure and yellowish discoloration were tested as a measurement. Specimen numbers of 10 were applied to all test items and experimental groups. Specimens for testing the diametral tensile strengths with internal diameter of 6mm in diameter and 3mm in height were filled with 5 experimental composites which were crushed with 1mm/min cross-head speed on Instron universal testing machine (Model No. 4467). Shear bond strength was measured on specimens attached to bovine teeth enamel etched with 37% phosphoric acid. Depth of cure was measured by the measurement of height of specimens which were removed the un-polymerized portion with acetone. Yellowness measurements were made by chromometer(Minolta Co. Japan) using L$^*$a$^*$b$^*$ values. ANOVA and Multiple range tests were used analyzed data with confidence level at 95%. The mean value of the shear bond strengths ranged from 31.03MPa to 39.49MPa. Following results were obtained ; 1. Diametral tensile strength was highest in experimental group 3, then was not affected by the contents of camphoroquinone ($r^2$=0.0422). 2. Composite resins containing 0.4% camphoroquinone showed the highest shear bond strength, but there was no statistical significance (p=0.3718). 3. Camphoroquinone reduces the depth of cure in the composite resins (p=0.0004, $r^2$=0.9483). 4. Camphoroquinone made the composites yellowish ($r^2$=0.9815). These results mean that increased content of camphoroquinone reduces the depth of cure, and that camphoroquinone make composites yellowish.

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Effect of Cation Substitution on the Lattice Vibration and Crystal Structure of Magnetic RuSr1.9A0.1GdCu2O8 (A = Ca, Sr, and Ba) Superconductors

  • Kim, Tae-Woo;Yang, In-Sang;Hwang, Seong-Ju
    • Bulletin of the Korean Chemical Society
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    • 제30권11호
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    • pp.2559-2562
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    • 2009
  • The lattice vibration and crystal structure of alkaline earth metal-substituted $RuSr_{1.9}A_{0.1}GdCu_{2}O_{8}$ (A = Ca, Sr, and Ba) have been investigated with micro-Raman spectroscopy. The present $RuSr_{1.9}A_{0.1}GdCu_{2}O_{8}$ materials show not only several weak Raman peaks corresponding to the vibrations of $O_{Cu}$ and $O_{Ru}$ but also strong characteristic phonon lines related to $O_{Sr}$ vibration mode. A comparison between the frequency of $O_{Sr}$ vibration and the bond distances of (Ru$O_{Sr}$) and (Cu‒$O_{Sr}$) in the present ruthenocuprates reveals that the vibration energy of $O_{Sr}$ is mainly dependent on the bond distance of (Ru‒$O_{Sr}$). The peak splitting of the $O_{Sr}$ phonon lines was observed for the unsubstituted $RuSr_{1.9}A_{0.1}GdCu_{2}O_{8}$, suggesting the existence of two different (Ru‒$O_{Sr}$) bond distances. Such a peak splitting caused by the appearance of low-energy shoulder reflects the presence of internal charge transfer pathway from the $RuO_2$ plane to the superconductive $CuO_2$ one. After the substitution of Sr with Ca or Ba, the low-energy shoulder peak of $O_{Sr}$ vibration becomes suppressed, underscoring the depression of internal charge transfer between the $RuO_2$ and $CuO_2$ planes. The weakened role of $RuO_2$ layer as charge reservoir in the $RuSr_{1.9}A_{0.1}GdCu_{2}O_{8}$8 (A = Ca, Ba) would be responsible for the depression of $T_c$ upon the Ca/Ba substitution.

톱밥과 왕겨 및 숯을 이용하여 제조한 보드의 성질 (Properties of Board Manufactured from Sawdust, Ricehusk and Charcoal)

  • HWANG, Jung-Woo;OH, Seung-Won
    • Journal of the Korean Wood Science and Technology
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    • 제48권1호
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    • pp.61-75
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    • 2020
  • 본 연구에서는 농업부산물인 왕겨와 제재과정에서 발생되는 톱밥에 환경 친화적인 소재인 숯을 첨가하여 왕겨와 숯의 혼합비율 및 밀도별로 보드를 제조한 후 용도개발을 위하여 물리적 성질을 조사하여 다음과 같은 결과를 얻었다. 왕겨 및 숯의 첨가율 별로 제조된 혼합보드의 수분흡수율과 두께팽윤율은 숯의 첨가율이 증가할수록 완만하게 감소하는 경향을 나타내었고, 또한 혼합보드의 밀도가 증가할수록 수분흡수율은 감소하고 두께팽윤율은 증가하는 경향을 나타냈다. 혼합보드의 박리강도는 밀도가 0.7g/㎤일 때 0.49N/㎟로 가장 높은 수치를 나타내었다. KSF 3104 파티클 보드의 품질기준을 만족시켰다. 왕겨 및 숯의 첨가율별로 제조된 혼합보드의 박리강도는 왕겨의 첨가율이 감소하고 숯의 첨가율이 증가할수록 박리강도가 완만하게 감소하는 경향을 나타냈다. 또한 KSF 3104 파티클 보드의 품질기준 왕겨와 숯의 비율이 35:5와 30:10일 때는 15.0형, 25:15와 20:20일 때 13.0형의 품질기준을 만족시켰다. 혼합보드의 밀도가 증가할수록 경도가 증가하는 경향을 나타냈고, 왕겨의 첨가율이 감소하고 숯의 첨가율이 증가할수록 경도는 감소하는 경향을 나타냈다.

Efficiency of Rotational Operators for Geometric Manipulation of Chain Molecules

  • Seok, Chaok;Coutsias, Evangelos A.
    • Bulletin of the Korean Chemical Society
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    • 제28권10호
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    • pp.1705-1708
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    • 2007
  • Geometric manipulation of molecules is an essential elementary component in computational modeling programs for molecular structure, stability, dynamics, and design. The computational complexity of transformation of internal coordinates to Cartesian coordinates was discussed before.1 The use of rotation matrices was found to be slightly more efficient than that of quaternion although quaternion operators have been widely advertised for rotational operations, especially in molecular dynamics simulations of liquids where the orientation is a dynamical variable.2 The discussion on computational efficiency is extended here to a more general case in which bond angles and sidechain torsion angles are allowed to vary. The algorithm of Thompson3 is derived again in terms of quaternions as well as rotation matrices, and an algorithm with optimal efficiency is described. The algorithm based on rotation matrices is again found to be slightly more efficient than that based on quaternions.

$^{15}N$ NMR Relaxation Studies of Backbone Motion of the catalytic Residues in Free and Steroid-bound ${\Delta}^5$-3-Ketosteroid Isomerase

  • Lee, Hee-Cheon;Sunggoo Yun
    • 한국자기공명학회논문지
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    • 제5권2호
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    • pp.130-137
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    • 2001
  • Backbone dynamics of the catalytic residues in free and steroid-bound $\Delta$$^{5}$ -3- ketosteroid isomerase from Pseudomonas testosteroni has been examined by $^{15}$ N relaxation measurements. The relaxation data were analyzed using the model-free formalism to extract the model-free parameters (S$^2$, $\tau$$_{e}$, and R$_{ex}$). Tyr-34 and Asp-99 exhibit enhanced high-frequency (pico- to nanosecond) internal motions in the free enzyme, which are restricted upon ligand binding, while Asp-38 experiences severe restriction of the internal motions in the fee enzyme, suggesting that Tyr-14 and Asp-99 are more actively involved in the ligand binding than Asp-38. The results also indicate that the H-bond network in the catalytic cavity might be slightly strengthened upon ligand binding, which may have some implications on the enzyme mechanism.he enzyme mechanism.m.

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