• Title/Summary/Keyword: Bond order

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A Theoretical Consideration on the Reactivities of the Prophin and Phthalocyanine Nucleus by the Simple Huckel Method (Porphin과 Phthalocyanine 核의 反應性에 對한 分子 軌道法的 考察)

  • Pack, Byung-Kak;Hong, Young-Suk
    • Journal of the Korean Chemical Society
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    • v.12 no.3
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    • pp.89-92
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    • 1968
  • A theoretical study was made on the energies of ${\pi}$ electrons and the reactivity of each atom of porphin nucleus and phthalocyanine nucleus in the ground states. The energy of each ${\pi}$ orbital, the superdelocalizabilities and the bond orders have been calculated by the simple Huckel method. With respect of these two compounds, results of the calculations have shown that the energy differences between highest occupied orbitals and lowest vacant orbitals are relatively less than those of other common organic compounds. This suggests that these two compounds will be easily excited. Then, by superdelocalizabilities and bond orders, the reactivities of electrophilic, nucleophilic and radical reactions and bond strenghs have been respectively considered.

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A Study on the high temperature oxidation behavior of zirconia plasma coatings on Haselloy X (Zirconala 용사된 Hastelloy X의 고온산화거동)

  • 김재철;신억균;박영규;최시경;김길무
    • Journal of Surface Science and Engineering
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    • v.30 no.4
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    • pp.285-297
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    • 1997
  • Finned segment, with which are lined inner wall of the turbine combustors, are subject to severe degradation when they are exposed to a hostile environmment at elevated temperature. To protect the finned segment from this environment and to maintain good mechanical properties of components at high temperature, they are preferred to be coated. The most governing factor for the durability of coatings used in the high temperature is the microstructure of coatings; these are splat from, distibution of microcacks, size and distribution of pores, thickness of coating layer, adhesion between coating layer, and oxidation of band coating. In this study, based on the evaluation of the imported finned segment, new finned segment segment was manufactured with optimum plasma spraying parameters, and their properties were examined. Using $ZrO_2(8wt$Y_2O_3)$,/TEX> powder for ceramic coating and 67Ni-22Cr-10Al-0.5Y mixing powder for bond coating, thickness of ceramic and bond coating layer were varied in order to find optimum condition, the results showed that B2T4(bond coating : 100~250$\mu\textrm{m}$, ceramic coating : 250~300$\mu\textrm{m}$) was the best among the specimens tested. Compared to the imported finned segment, B2T4 has better bond strength, hardness, and isothermal and cyclic oxidation resistance.

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Nucleophilic Substitution at a Carbonyl Carbon Atom (V). Kinetic Studies on Halogen Exchange Reactions of N,N-Dialkylcarbamoyl Chlorides in Dry Acetone (카르보닐 탄소원자의 친핵치환 반응 (제5보). 아세톤 용매속에서의 Dialkylcarbamoyl Chloride의 할로겐 교환반응에 관한 속도론적 연구)

  • Kim Shi Choon;Lee, Ik Choon
    • Journal of the Korean Chemical Society
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    • v.19 no.1
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    • pp.11-15
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    • 1975
  • Kinetic study of halogen exchange for N,N-dimethylcarbamoyl chloride and N,N-diethylcarbamoyl chloride in acetone by using radioisotopic halide ions has been carried out at two temperatures as a part of studying the reactivity of carbonyl carbon atom. The order of nucleophilicity showed a similar tendency as that for alkyl chloroformate, but reaction rate is much slower than that for solvolysis and alkyl chloroformate. The activation parameters,${\Delta}H^*$and${\Delta}S^*$ were found to decrease in sequence $Cl^{\rightarrow}Br^{\rightarrow}I^-$ for N,N-dialkylcarbamoyl chlorides. The results are interpreted in terms of solvation effect, degree of bond-breaking and bond-formation and electronic requirements.

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An Experimental Study on Development Length of Untensioned Prestressing Strand (인장을 가하지 않은 PS강연선의 정착길이에 대한 실험적 연구)

  • Choi, Jun-Young;Ha, Sang-Su;Kim, Seung-Hun;Choi, Chang-Sik;Lee, Li-Hyung
    • Proceedings of the Korea Concrete Institute Conference
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    • 2005.05a
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    • pp.331-334
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    • 2005
  • The nature of bond of untensioned prestressed strand in concrete differs from that of plain or deformed reinforcing bar as well as tensioned prestressed strand. There is a very limited amount of published research information regarding bonding of this type reinforcing. In order to use and design untensioned strand as reinforcing, relationships defining the load transfer characteristics of the strand are necessary. A program based upon pullout tests was designed to develop data relating the critical parameters for determining load transfer behavior of the untensioned strand. The purpose of this study is to investigate the characteristics of bond and development length between untensioned strand and concrete. The test variables include diameter of strands (9.3mm, 12.7mm) and development lengths. The maximum bond stress at the 9.3mm and 12.7mm strands decreases with the increase of the rate of development length. The untensioned prestressed strands displayed bond performance when secure development length more than 80$\%$ according to the development of deformed bars equation.

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Sensitivity of Ozone Concentrations to Initial Concentrations Applying the Carbon Bond Mechanism IV

  • Lee, Hwa-Woon;Kim, Heon-Sook;Oh, Eun-Joo;Kim, Yeon-Hee
    • Journal of Environmental Science International
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    • v.12 no.11
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    • pp.1159-1165
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    • 2003
  • The Carbon Bond Mechanism IV has been developed for use in urban- and regional-scale oxidant models. The photochemical mechanism, CBM4, contains extensive improvements to earlier carbon bond mechanisms in the chemical representations of aromatics, biogenic hydrocarbons, peroxyacetyl nitartes, and formaldehyde. Ozone is produced mainly by nitrogen oxides and hydrocarbon. By altering the initial concentrations of the mechanism, an analysis of the sensitivity of ozone concentrations to VOC/NO$\_$x/ ratios and VOC composition is conducted in this one-dimensional mechanism. Note that it is considered a chemical mechanism in order to understand the photochemical reactions within this mechanism. It analyzed the results of these simulations by applying a NO$\_$x/-sensitive and a VOC-sensitive regime. These sensitivity regimes are changed to match the relative contribution of VOC and NO$\_$x/ concentrations to ozone production in simulations of two sets.

INTERFACIAL MORPHOLOGY BETWEEN DENTIN AND ADHESIVES ACCORDING TO TREATMENT OF DENTIN SURFACE OF CERVICAL ABRASION LESION (치경부 마모병소의 상아질 표면처리 방식에 따른 상아질과 접착제 간의 계면 양상)

  • Lee, Yong-Hee;Lee, Hee-Joo;Hur, Bock
    • Restorative Dentistry and Endodontics
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    • v.26 no.1
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    • pp.51-63
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    • 2001
  • In order to know the effect of dentin bonding agents on the restoration of cervical abrasion, Scotchbond Multipurpose Single Bond and Clearfil Liner Bond 2 were used in 51 teeth with abrasion lesion and normal teeth. The surface structure and dentinal tubules of acid etched dentin and resin replica were examined using scanning electron microscopy. The interfacial morphology between dentin and adhesives was investigated by confocal laser scanning microscopy. Following results were obtained. 1. The hybrid layer and resin tag of the dentin showing cross-sectional surface of dentinal tubules are thicker and longer than those of dentin showing oblique surface of dentinal tubules. 2. The sclerotic cast was frequently observed in dentinal tubule, and the cast looked like cuboidal or rhomboidal-shaped crystals clumped from outer side to inner side. 3. The formation of hybrid layer and resin tag was the most prominent in Scotchbond Multipurpose group, whereas Clearfil Liner Bond 2 group showed very poor formation. The formation of hybrid layer and resin tag in Single Bond group was less than Scotchbond Multipurpose group.

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Theoretical Studies on the Nucleophilic Substitution Reactions of 1-Phenylethyl Chlorides

  • 김왕기;류왕선;박형연;한인석;김창곤;이익준
    • Bulletin of the Korean Chemical Society
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    • v.18 no.8
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    • pp.868-873
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    • 1997
  • Nucleophilic substitution reactions of 1-phenylethyl chlorides (1-PEC; YC6H4CH(CH3)Cl) with phenoxides (XC6H4O-) and thiophenoxides (XC6H4S-) are investigated theoretically using the PM3 method. The Bronsted α and β values are greater for the phenoxides indicating a more advanced reaction in the transition state (TS) than for the thiophenoxides. This is supported by a greater magnitude of ρX (- 6.4 ∼ - 7.4) and ρXY (- 0.76) for the phenoxides than for the thiophenoxides (ρX = - 3.6 ∼ - 4.4 and ρXY = - 0.60). The percentage bond order changes, %Δn≠, suggest that the extents of bond making and breaking are similar for the phenoxides and hence the TS is symmetrical, but bond making is somewhat greater than bond cleavage for the thiophenoxides indicating an unsymmetrical TS. The reactions in the gas phase for both nucleophile series proceed by a SN2 mechanism with a tight TS and negative charge development on the reaction center carbon, Cα. The reactions in water investigated with model systems of benzyl and 1-phenylethyl chlorides using the Cramer-Truhlar solvation model (PM3-SM3) indicate that the reactions of 1-PEC are far more complex due to enhanced stabilization of the carbocation by the methyl substitution for a benzylic hydrogen.

Repair bond strength of composite resin to zirconia restorations after different thermal cycles

  • Cinar, Serkan;Kirmali, Omer
    • The Journal of Advanced Prosthodontics
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    • v.11 no.5
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    • pp.297-304
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    • 2019
  • PURPOSE. This in vitro study investigated the repair bond strength of the zirconia ceramic after different aging conditions. MATERIALS AND METHODS. In order to imitate the failure modes of veneered zirconia restorations, veneer ceramic, zirconia, and veneer ceramic-zirconia specimens were prepared and were divided into 4 subgroups as: control ($37^{\circ}C$ distilled water for 24 hours ) and 3000, 6000, 12000 thermal cycling groups (n=15). Then, specimens were bonded to composite resin using a porcelain repair kit according to the manufacturer recommendation. The repair bond strength (RBS) test was performed using a universal testing machine (0.5 mm/min). Failure types were analyzed under a stereomicroscope. Two-way ANOVA and Bonferroni test were used for statistical analysis. RESULTS. The RBS values of zirconia specimens were statistically significant and higher than veneer ceramic and veneer ceramic-zirconia specimens in control, 3000 and 6000 thermal cycling groups (P<.05). When 12000 thermal cycles were applied, the highest value was found in zirconia specimens but there was no statistically significant difference between veneer ceramic and veneer ceramic-zirconia specimens (P>.05). Veneer ceramic specimens exhibited cohesive failure types, zirconia specimens exhibited adhesive failure types, and veneer ceramic-zirconia specimens exhibited predominately mixed failure types. CONCLUSION. Thermal cycling can adversely affect RBS of composite resin binded to level of fractured zirconia ceramics.

Evaluation of Emergency Pothole Repair Materials using Polyurethane-Modified Asphalt Binder (폴리우레탄 개질 아스팔트 바인더를 사용한 포트홀 응급 보수재의 성능평가)

  • Kim, Yeong Min;Im, Jeong Hyuk;Hwang, Sung Do
    • International Journal of Highway Engineering
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    • v.17 no.1
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    • pp.43-49
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    • 2015
  • PURPOSES : The objective of this study is to develop new pothole repair materials using polyurethane-modified asphalt binder, and to evaluate them relative to current pothole repair materials in order to improve the performance of repaired asphalt pavement. METHODS : In the laboratory, polyurethane-modified asphalt binder is developed, and then asphalt binder is added to produce pothole repair materials. In order to evaluate the properties of this new pothole repair material, both an indirect tension strength test and a direct tension strength test are performed to measure the material strength and bond strength, respectively. Additionally, the basic material properties are evaluated using the asphalt cold mix manual. The strength characteristics based on curing times are evaluated using a total of 7 types of materials (3 types of current materials, 2 types of new materials, and 2 types of moisture conditioned new materials). The indirect tension strength tests are conducted at 1, 2, 4, 8, 16, and 32 days of curing time. The bond strength between current HMA(Hot Mix Asphalt) and the new materials is evaluated by the direct tension strength test. RESULTS AND CONCLUSIONS : Overall, the new materials show better properties than current materials. Based on the test results, the new materials demonstrate less susceptibility to moisture, faster curing times, and an improved bond strength between HMA and the new materials. Therefore, the use of the new materials reported in this study may lead to enhanced performance of repairs made to asphalt pavement potholes.

Bond Capacity of Near-Surface-Mounted CFRP Plate to Concrete Under Various Temperatures (콘크리트에 표면매입 보강된 탄소섬유 판의 온도에 따른 부착성능)

  • Seo, Soo-Yeon;Kim, Jeong-Hun
    • Journal of the Korea institute for structural maintenance and inspection
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    • v.17 no.4
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    • pp.75-83
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    • 2013
  • This paper presents a series of test result in order to study fire resistance capacity of the Near-Surface-Mounted (NSM) Carbon Fiber Reinforced Polymer (CFRP) plate, which are tensile test of CFRP under various temperature loading, temperature loading test of epoxy and bond test of NSM CFRP to concrete under various temperature loading. From the tests, it was found that NSM retrofit method had high efficiency in strengthening concrete under ordinary temperature. However, the strength of the system was able to be drastically decreased even a little increase of surrounding temperature. Especially, bond capacity begins to disappear when the surrounding temperature approaches the glass transition temperature of epoxy. Therefore, it is necessary to improve the fire resistance capacity of both fiber reinforced polymer reinforcement and epoxy for bonding in order to develop safe fire resistance design of structure.