• Title/Summary/Keyword: Bond order

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Properties of $T_1-OH-T_2$(T1 = Al, B and T2 = P, Si) Bridges on Metal-Substituted $AlPO_4-5$ Molecular Sieves : MNDO Calculations (금속-치환 $AlPO_4-5$ 분자체에서 가교 $T_1-OH-T_2(T_1$=Al,B 그리고 $T_2$= P, Si)에 대한 성질 : MNDO)

  • Son, Man Sik;Baek, U Hyeon
    • Journal of the Korean Chemical Society
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    • v.38 no.1
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    • pp.1-7
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    • 1994
  • Semiempirical MNDO calculations are employed to study ionicity of OH groups and stability in $T_1-OH-T_2bridges(T_1$ = Al, B and $T_2$ = P, Si) such as found in aluminophosphate family($AlPO_4-5$, BAPO-5, and SAPO-5) molecular sieves. Dimeric model clusters of Al-OH-P, B-OH-P and Al-OH-Si bridges were considered. It is shown that the elongation of the T-O bond, upon replacement of Al by B, occurs preferentially by a local deformation of the Al-O-P bridge. But the elongation of the T-O bond occurs preferentially by a rotation of Al-O-Si bridge upon substitution P for Si. Also, the ionicity of OH groups and stability increase in order to B-OH-P < Al-OH-P < Al-OH-Si bridge.

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Chemical Reactivity of Ti+ within Water, Dimethyl Ether, and Methanol Clusters

  • Koo, Young-Mi;An, Hyung-Joon;Yoo, Seoung-Kyo;Jung, Kwang-Woo
    • Bulletin of the Korean Chemical Society
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    • v.24 no.2
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    • pp.197-204
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    • 2003
  • The intracluster ion-molecule reactions of $Ti^+(H_2O)_n,\;Ti^+(CH_3OCH_3)_n,\;and\;Ti^+(CH_3OD)_n$ complexes produced by the mixing of the laser-vaporized plasma and the pulsed supersonic beam were studied using a reflectron time-of-flight mass spectrometer. The reactions of $Ti^+$ with water clusters were dominated by the dehydrogenation reaction, which produces $TiO^+(H_2O)_n$ clusters. The mass spectra resulting from the reactions of $Ti^+\;with\;CH_3OCH_3$ clusters exhibit a major sequence of $Ti^+(OCH_3)_m(CH_3OCH_3)_n$ cluster ions, which is attributed to the insertion of $Ti^+$ ion into C-O bond of $CH_3OCH_3$ followed by $CH_3$ elimination. The prevalence of $Ti^+(OCH_3)_m(CH_3OD)_n$ ions in the reaction of $Ti^+\;with\;CH_3OD$ clusters suggests that D elimination via O-D bond insertion is the preferred decomposition pathway. In addition, the results indicate that consecutive insertion reactions by the $Ti^+$ ion occur for up to three precursor molecules. Thus, examination of $Ti^+$ insertion into three different molecules establishes the reactivity order: O-H > C-O > C-H. The experiments additionally show that the chemical reactivity of heterocluster ions is greatly influenced by cluster size and argon stagnation pressure. The reaction energetics and formation mechanisms of the observed heterocluster ions are also discussed.

Growth and characterizations of INAlAs epilayers and InGaAs/INAlAs quantum well structures by low pressure metalorganic chemical vapor deposition (저압 유기금속 화학증착법을 이용한 InAIAs 에피층과 InGaAs/InAIAs 양자 우물 구조의 성장과 분석)

  • 유경란;문영부;이태완;윤의준
    • Journal of the Korean Vacuum Society
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    • v.7 no.4
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    • pp.328-333
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    • 1998
  • Lattice-matched InAIAs epilayers were grown on (001) InP substrate by low pressure metalorganic chemical vapor deposition. The effects of growth conditions on the properties of InAIAs were analyzed, and InGaAs/InAIAs single and multiple quantum wells were successfully grown. It was observed that the optical property of InAIAs epilayers was improved in the temperature range of 620~$700^{\circ}C$ as the growth temperature increased due to the reduction of oxygen incorporation, however, the crystallinity decreased at temperatures higher than $750^{\circ}C$ due to the degraded crystallinity of the bufter layers. The enhanced incorporation of AI into epilayer was observed at high $AsH_3$flow rates and it was explained in terms of the differences in bond strengths of AI-As and In-As. The measured photoluminescence peak energies from InGaAs/InAIAs single quantum wells were consistent with the calculated ones based on transfer matrix method. High-order satellite peaks and fine thickness fringes were observed by high-resolution x-ray diffraction, implying that the high-quality multiple quantum wells with abrupt heterointerfaces were grown.

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Neutron diffraction study on the structure of pure $TeO_2$ glass (고순도 $TeO_2$ 유리 구조의 중성자 회절 연구)

  • Toshinobu Yoko
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.5 no.2
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    • pp.189-196
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    • 1995
  • Abstract The short range structure of pure $TeO_2$ glass was studied by neutron diffraction. In order to decide the values of $Te{\cdot}O$ bond length ($d_{Te-O}$) and the coordination number $(N_{Te-O})$ of oxygen atoms surrounding a Te atom, the first peak of the $Q_{max}$ = 20, 23, 25, 28 and 30 in the highly resolved RDF curves was deconvoluted by the least - squares method under the assumption that both of the pair distribution functions have a Gaussian form On the basis of these results, it is found that pure $TeO_2$ glass consists of $TeO_4$ structural units, in which Te atoms are coordinated by four oxygens and each two oxygen atoms are bonded to a Te atom with the average bond length of 1.916 $\AA$ and 2.123 $\AA$, respectively.

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Development of high performance shotcrete for permanent shotcrete tunnel linings (Application of high-early strength cement with alkali-free accelerator in spring water condition) (영구 숏크리트 터널 라이닝 구축을 위한 고성능 숏크리트 개발 (용수부에서의 조강시멘트와 alkali-free급결제 적용 검토))

  • Park, Hae Geun;Lee, Myeong Sub;Kim, Jea Kwon
    • Journal of Korean Tunnelling and Underground Space Association
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    • v.5 no.1
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    • pp.23-31
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    • 2003
  • Since the mid of 1990, permanent shotcrete tunnel linings such as Single-shell and NMT have been constructed in many countries for reducing the construction time and lowing construction costs instead of conventional in-situ concrete linings. Among essential technologies for successful application of permanent shotcrete linings, high performance shotcrete having high strength, high durability and better pumpability has to be developed in advance as an integral component. This paper presents the idea and first experimental attempts to increase early strength and bond strength of wet-mixed Steel Fiber Reinforced Shotcrete (SFRS) in spring water condition. In order to increase early behavior of SFRS, a new approach using high-early strength cement with alkali-free liquid accelerator has been investigated. From the test results, wet-mix SFRS with high-early strength cement and alkali-free accelerator exhibited excellent early compressive strength improvement compared to the ordinary portland cement and good bond strength even under spring water condition.

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Study on the tensile restraint crack characteristics in underwater welds of marine steel plates (선용 강판 수중용접부의 인장 구속 균열 특성에 관한 연구)

  • 오세규;강문호;김민남
    • Journal of Advanced Marine Engineering and Technology
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    • v.11 no.3
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    • pp.45-52
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    • 1987
  • Generally the factors affected largely by the cold cracking sensitivity of the weld are the quantity of the diffusible hydrogen, the brittleness and hardness of the bond area and the tensile restraint stress. These factors have relation each other, and if we can reduce one of these factors, it becomes instrumental to the root cracks prevention of weld. This study deals with the gravity type-underwater-welding of KR Grade A-3 marine steel plate using E4303 welding electrode in order to compare wet-underwater-welding with in-air- welding, resulting in obtaining the tensile restraint characteristics, the hardness distribution, the quantity of diffusible hydrogen and the macro- and micro-crack properties in both underwater and in-air welds. The main results obtained are as follows: 1) The quantity of diffusible hydrogen measured for 48 hours is about 18cc/100g-weld-metal for the in-air-weld of one pass and about 48cc/100g-weld-metal for the underwater-weld of one pass which is about 3 times penetration of diffusible hydrogen compairing with the case of the in-air-weld. However, it was experimentally confirmed that, by the multi-pass welding of 2 to 5 passes, the diffusible hydrogen in the underwater weld metal can be reduced as much as 27 to 49%. 2) The hardness of the weld metal indicates the highest value in the heat affected zones of underwater weld for more rapid cooling rate, resulting in the higher sensitivity of cold cracking. So, it is desirable to soften the higher hardness in the HAZ by tempering effect such as the multi-pass welding in the underwater welding. 3) At the bond vicinity of the underwater weld HAZ, micro cracks were found as resulted by both more rapid cooling rate and more diffusible hydrogen and also by the stress corrosion cracking under the tensile restraint stress in the underwater. But this could be prevented by the tempering effect of the following weld bead such as the multi-pass welding.

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The Characteristics of UV Generation and Aging Materials in According to Surface Discharge (연면방전에 의한 폴리머애자의 자외선 발생과 열화특성)

  • Shong, Kil-Mok;Bang, Sun-Bae;Kim, Chong-Min;Kim, Young-Seok;Jung, Jin-Su
    • The Transactions of The Korean Institute of Electrical Engineers
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    • v.57 no.9
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    • pp.1606-1611
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    • 2008
  • Recently, The diagnosis techniques of electric facilities are developed on live line. This paper describes the discharge characteristics of polymer insulator(EPDM A type). Keeping the facilities in good working order, the goal of this paper will provide the information to enable user to easily judge conditions of facilities on the spot. The performance of polymer insulator is assessed from the KS C IEC 60270 and CEA LWIWG-01(96)(Tracking Wheel Test). As the results, UV generation patterns of polymer insulator grow like a jellyfish shape follow the ramping voltage. Discharging UVs are detected at about 31.25% of breakdown voltage. Just then, dimension of UV image is about $0.84cm^{2}$. The dimension of max. UV image is about $297.4cm^{2}$ at $160kV(V_{bd})$. The position of UV generation due to surface discharge of polymer insulator is the center of insulator in the early, then moved the ground side and the last, UV image moved through the junction part of source side. Surface of aged polymer insulator is cracked and faded due to arc. UV absorption spectrum of polymer insulator are appeared the C-H bond of scissoring vib. at $1014cm^{-1}$ and C=O bond of recombination structure. Also, recombined UV absorption peak such as C-H, N-H, and O-H is detected at the $3321cm^{-1}$. Through the paper, there are inspection data which are the relations between surface discharge of polymer insulator and UV detecting image.

Studies on the Technical Development of the Traditional Korean Golden Varnish(Hwangchil) (III) - Main Component Analysis of Korea Golden Varnishes Traditonally Refined from the Exudates of Dendropanax morbifera Lev. - (전통 황칠 도료 개발에 관한 연구(III) - 전통 황칠 도료의 주성분 분석 -)

  • Lim, Kie-Pye;Jung, Woo-Yang;Hong, Dong-Hwa
    • Journal of the Korean Wood Science and Technology
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    • v.26 no.3
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    • pp.73-80
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    • 1998
  • In order to reconstruct the traditional technology of Korean golden varnish coatings, this study was carried out to separate and determine some main coloring components of the exudates of D. morbifera and its traditionally refined golden varnishes using a process of solvent extractions, chromatographies and spectrometries. The results obtained are as follows: 1. The exudate and its traditional-refined golden varnishes appear to have a kind of natural polyacetylenes because it has some triple bond peaks in FT-IR spectrometry. 2. Some yellowing spots of the polar-solvent extrats from the exudates and refined varnishes separated on TLC appeared under natural drying condition, but those of non-polar solvent extract such as hexane did not. 3. A traditional refining method for reconstructing a Korea golden varnishes was thought to be better than solvent separation because the former had higher triple-bond peaks than the latter in FT-IR spectrometry. 4. One of main conponents in the hexane-extracts of the traditional-refined varnishes and the exudates had the same molcular weighr of 204, but the fragmentation patterns was a little different between the exudate and the refined. in LC-MS soectrometry.

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Field emission properties of diamond-like carbon films deposited by ion beam sputtering (이온빔 스퍼터링으로 제작된 다이아몬드성 카본 필름의 전계 방출 특성)

  • 안상혁;이광렬;전동렬
    • Journal of the Korean Vacuum Society
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    • v.8 no.1
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    • pp.36-42
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    • 1999
  • Field emission behaviors from diamond-like carbon films were investigated. The films were deposited on n-type Si wafer by ion beam sputtering method using 3 cm Kaufman type ion source. Regardless of the film thicknesses and atomic bond structure, the emission current was much enhanced by electrical breakdown between anode and the film surface. The effective work function was estimated to be about 0.1 eV. In order to identify the emission site, tungsten tip was scanned the damaged region damaged region but localized to a specific site. Analysis using Auger electron spectroscopy and SEM shows that SiC compound was not a sufficient condition for the electron emission. This result showed that the enhanced emission was mainly due to the changes in the chemical bond of the damaged region rather than the enhanced electric field caused by the morphological change.

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THE EFFECT OF VARIOUS CEMENTS ON THE TENSILE STRENGTH OF A POST AND DIFFICULTIES OF ULTRASONIC POST REMOVAL (시멘트의 종류에 따른 포스트의 인장강도 및 제거의 난이도에 관한 연구)

  • Park, Jeong-Won;Roh, Byoung-Duck;Lee, Chung-Suck
    • Restorative Dentistry and Endodontics
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    • v.22 no.1
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    • pp.181-192
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    • 1997
  • The difficulty of endodontic retreatment depends on various factors and it is affected by retention of post. In this experiment, root canal therapy was done in extracted human teeth and cut into 10mm length from the root apex, and then cemented by zinc phosphate cement, Vitremer$^{(R)}$(glass ionomer) luting cement and Panavia 21$^{(R)}$(resin cement). Post preparation was done by #4 Parapost drill at 6mm length and cement was inserted by lentulo spiral. After 24 hours, tensile bond strength, post removal time was measured after the ultrasonic application and the separation site was measured. The following results were obtained. 1. In measuring tensile bond strength, there is no statistical difference between zinc phosphate cement and Panavia 21$^{(R)}$, but Vitremer$^{(R)}$ showed lower value compared with those two cements. (p<0.001) 2. When the post removal time was measured after ultrasonic application, significant different value in order of Panavia 21$^{(R)}$, zinc phosphate cement and Vitremer$^{(R)}$ was shown. (p<0.001) 3. As a result of examining the separating site of each cement, all 16 of zinc phosphate cement group showed the fracture site between cement and post, Vitremer$^{(R)}$ was 13/16, and Panavia 2$^{(R)}$ was 8/16. In case of tooth restoration using Parapost, the use of Panavia 21 showed good retention property than Vitremer$^{(R)}$, but when retreatment is needed the difficulty of post removal will be increased.

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