• Title/Summary/Keyword: Bond order

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A Simple $H\ddot{u}ckel$ Approach to Intramolecular Photocyclization Reaction of N-(2-Chlorobenzyl)-Pyridinium, N-(Benzyl)-2-Chloropyridinium, and N-(2-Chlorobenzyl)-2-Chloropyridinium Salts

  • Lee, Gang-Ho;Park, Yong-Tae
    • Bulletin of the Korean Chemical Society
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    • v.15 no.10
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    • pp.857-860
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    • 1994
  • We have calculated the ${\pi}$-electron density, atom self-polarizability, and free valence on each atom of N-(2-chlorobenzyl)-pyridinium, N-(benzyl)-2-chloropyridinium, and N-(2-chlorobenzyl)-2-chloropyridinium salts using a simple Huckel method in order to discuss their intramolecular photocyclization reaction in a qualitative method. Our calculation qualitatively predicts that photocyclization occurs through forming radicals as a reaction intermediate by breaking a C-Cl bond after photoexcitation into a triplet state via intersystem crossing from an initially excited singlet state. We noticed that this C-Cl bond breaking is aided by ${\pi}$-complex formation between a chlorine atom and the ${\pi}$ -electrons of the neighboring ring in the triplet state and a stronger ${\pi}$-complex bond makes C-Cl bond breaking, i.e., radical formation, much easier. A chlorine atom will form a stronger ${\pi}$ -complex bond to a benzyl ring of N-(benzyl)-2-chloropyridinium than a pyridinium ring of N-(2-chlorobenzyl)-pyridinium because the former can donate its ${\pi}$-electron more easily than the latter. The chlorine at position 15 of N-(2-chlorobenzyl)-2-chloropyridinium salt in the excited state also provides its ${\pi}$-electron to the benzyl ring. So this ${\pi}$-electron can increase the bond strength of the $\pi-complex.$ Therefore, the strength of ${\pi}$-complex follows the order of N-(2-chlorobenzyl)-2-chloropyridinium, N-(benzyl)-2-chloropyridinium, and N-(2-chlorobenzyl)-pyridinium salts and thus the radical formation rate. This provides us with an intramolecular photocyclization reaction rate of the same order as given above.

Understanding of dynamic system properties in the frequency domain using bond graphs (본드선도를 이용한 동적시스템의 주파수역 특성이해)

  • Park, Jeon-Soo;Kim, Jong-Shik
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.22 no.4
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    • pp.801-810
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    • 1998
  • Modeling and analysis of dynamic systems generally demand their resutls to be interpreted each other with a physical sense. It sometimes requires that there should exist a unified tool in the treatment of dynamic systems which can be applied to both their modeling and analysis equally. This paper shows how models just after the progress of modeling via bond graph standards are converted to ones which are appropriate for analyzing a dynamic system in the frequency domain. Four bond graph prototypes are introduced to obtain frequency properties of dynamic systems such as zero stability, relative order, zero and pole dynamics, etc. directly from bond graphs, and the method are proposed which reduces nearly all models of bond graph standards to one of the prototypes without any change of physical similarity. This procedure as a tool for the structural reduction of bond graphs and finding frequency properties of a dynamic system is further investigated to survey its effectiveness through an example.

Preliminary Molecular Dymanics Simulation Studies of H-Y Zeolite in a Non-Rigid Zeolite Framework

  • 최상구;이송희
    • Bulletin of the Korean Chemical Society
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    • v.20 no.4
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    • pp.445-450
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    • 1999
  • Molecular dynamics (MD) simulation of non-rigid H-Y zeolite framework are performed at 298.15 and 5.0 K. Usual bond stretching, bond angle bending, torsional rotational, and non-bonded Lennard-Jones and electrostatic interactions are considered as intraframework interaction potentials. Calculated atomic parameters are in good agreement with the experiment, which indicates the successful reproduction of the framework structure and its motion. Both calculated bond lengths and bond angles are also in good agreement with the experiment except generally for a little longer bond lengths and a little smaller T-O-H bond angles. The calculated overall site occupation of HI keeps the order O(2) > O(3) > O(4) > O(t) at 298.15 K, which is very different from the experimental prediction, O(l) > O(3) > O(2) at 5 K. Calculated IR spectra of the H-Y zeolite framework show that most of the main peaks of the O-H bonds are in the broad region 3700-5000 cm-1 and that the O-T stretching bands appeared in 0-2000 cm-1 and at 2700 cm-1

AN EXPERIMENTAL STUDY OF THE EFFECT OF TEMPORARY CEMENTS ON THE BOND STRENGTH OF PERMANENT CEMENTS (치과용 임시합착 시멘트가 영구합착 시멘트의 결합력에 미치는 영향에 관한 실험적 연구)

  • Lee, Jin-Ho;Lee, Ho-Yong;Han, Dong-Hoo
    • The Journal of the Korean dental association
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    • v.22 no.9 s.184
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    • pp.803-811
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    • 1984
  • The purpose of this study was to research how temporary cementation effected on the bond strength of permanent cementation. Zinc phosphate, polycarboxylate and EBA ZOE cements were used as permanent cements, and as temporary cements Nogenol, Tempak and Dycal were used. The ninety six (96) specimens were prepared to measure the bond strength of permanent cements after treated with temporary cements for one week. The tensile stregths were measured with an Instron Universal Test Machine. The results of this study were obtained as follows: 1. With zinc phosphate cement, there was a tendency that the bond strengths of the group of temporarily cemented with Nogenol were increased, meanwhile they were decreased a little in the groups of Dycal and Tempak than those of the control group. 2. With polycarboxylate cement, there was a tendency that the bond strengths of the Control group were higher than those of experimental groups and they were decreased in order of Tempak, Noginol, and Dycal. 3. With EBA ZOE cement, there was a tendency that the bond strengths of the group of temporarily cemented with Tempak were increased a little, meanwhile they were decreased a little in the groups of Nogenol and Dycal than those of the Control group. 4. Among the permanent cements, the bond strengths of polycarbosylate cement were the highest and were followed in order of zinc phosphate cement and EBA ZOE cement.

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Shear bond strength of composite resin to titanium according to various surface treatments

  • Lee, Seung-Yun;Vang, Mong-Sook;Yang, Hong-So;Park, Sang-Won;Park, Ha-Ok;Lim, Hyun-Pil
    • The Journal of Advanced Prosthodontics
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    • v.1 no.2
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    • pp.68-74
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    • 2009
  • STATEMENT OF PROBLEM. When veneering composite resin-metal restoration is prepared, the fact that bond strength between Ti and composite resin is relatively weak should be considered. PURPOSE. The purpose of this study is to evaluate the shear bond strength between the veneering composite resin and commercial pure (CP) Ti / Ti-6Al-4V alloy according to the method of surface treatment. MATERIAL AND METHODS. The disks were cast by two types of metal. Their surfaces were treated by sandblasting, metal conditioner, TiN coating and silicoating respectively. After surface treatment, the disks were veneered by composite resin (Tescera$^{TM}$, Bisco, USA) which is 5 mm in diameter and 3 mm in thickness. The specimens were stored in water at $25^{\circ}C$ for 24 hours, and then evaluated for their shear bond strength by universal testing machine (STM-$5^{(R)}$, United Calibration, USA). These values were statistically analyzed. RESULTS. 1. All methods of surface treatment were used in this study satisfied the requirements of ISO 10477 which is the standard of polymer-based crown and bridge materials. 2. The metal conditioner treated group showed the highest value in shear bond strength of CP Ti, silicoated group, TiN coated group, sandblasted group, in following order. 3. The silicoated group showed the highest value in shear bond strength of Ti-6Al-4V alloy, metal conditioner treated group, sandblasted group, TiN coated group, in following order. CONCLUSION. Within the limitations of this study, all methods of surface treatment used in this study are clinically available.

The Effect of Debt Capacity on the Pecking Order Theory of Fisheries Firms' Capital Structure (수산기업의 부채수용력이 자본조달순서이론에 미치는 영향)

  • Nam, Soo-Hyun;Kim, Sung-Tae
    • The Journal of Fisheries Business Administration
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    • v.45 no.3
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    • pp.55-69
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    • 2014
  • We try to test the pecking order theory of Korean fisheries firm's capital structure using debt capacity. At first, we estimate the debt capacity as the probability of assigning corporate bond rating from credit-rating agencies. We use logit regression model to estimate this probability as a proxy of debt capacity. The major results of this study are as follows. Firstly, we can confirm the fisheries firm's financing behaviour which issues new debt securities for financial deficit. Empirical test of SSM model indicates that the higher probability of assigning corporate bond rating, the higher the coefficient of financial deficit. Especially, high probability group follows this result exactly. Therefore, the pecking order theory of fisheries firm's capital structure applies well for high probability group which means high debt capacity. It also applies for medium and low probability group, but their significances are not good. Secondly, the most of fisheries firms in high probability group issue new debt securities for their financial deficit. Low probability group's fisheries firms also issue new debt securities for their financial deficit within the limit of their debt capacity, but beyond debt capacity they use equity financing for financial deficit. Therefore, the pecking order theory on debt capacity come into existence well in high probability group.

Bond slip modelling and its effect on numerical analysis of blast-induced responses of RC columns

  • Shi, Yanchao;Li, Zhong-Xian;Hao, Hong
    • Structural Engineering and Mechanics
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    • v.32 no.2
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    • pp.251-267
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    • 2009
  • Reinforced concrete (RC) structures consist of two different materials: concrete and steel bar. The stress transfer behaviour between the two materials through bond plays an important role in the load-carrying capacity of RC structures, especially when they subject to lateral load such as blast and seismic load. Therefore, bond and slip between concrete and reinforcement bar will affect the response of RC structures under such loads. However, in most numerical analyses of blast-induced structural responses, the perfect bond between concrete and steel bar is often assumed. The main reason is that it is very difficult to model bond slip in the commercial finite element software, especially in hydrodynamic codes. In the present study, a one-dimensional slide line contact model in LS-DYNA for modeling sliding of rebar along a string of concrete nodes is creatively used to model the bond slip between concrete and steel bars in RC structures. In order to model the bond slip accurately, a new approach to define the parameters of the one-dimensional slide line model from common pullout test data is proposed. Reliability and accuracy of the proposed approach and the one-dimensional slide line in modelling the bond slip between concrete and steel bar are demonstrated through comparison of numerical results and experimental data. A case study is then carried out to investigate the bond slip effect on numerical analysis of blast-induced responses of a RC column. Parametric studies are also conducted to investigate the effect of bond shear modulus, maximum elastic slip strain, and damage curve exponential coefficient on blast-induced response of RC columns. Finally, recommendations are given for modelling the bond slip in numerical analysis of blast-induced responses of RC columns.

Study on the Relationships of Bending Moment-Corvature Based on Bond Property (부착특성을 고려한 휨모멘트-곡률 관계에 관한 연구)

  • 장일영
    • Proceedings of the Korea Concrete Institute Conference
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    • 1991.04a
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    • pp.81-85
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    • 1991
  • The object of this study is to propose the bending moment-curvature relationships based on the bond properties between concrete and steel for noncraking zone, and evaluate the flexural displacement of reinforced concrete members. The bond-slip relationship and the strain hardening effect of steel were taken into account in order to evaluate the spacing of the cracks and the curvature distribution. Calculated curvature distribution along the longitudinal axis was transformed into equivalent curvature distribution. The flexural displacement was calculated by means of double intergral of the equivalent curvature. Calculated values are in good agreement with the experimental data.

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Experimental Study on Behavior of Bonding between PSC Girders and Precast Decks (PSC 거더와 프리캐스트 바닥판간 부착 강도 평가를 위한 실험적 연구)

  • Kim In Gyu;Chung Chul Hun;Shim Chang Su;Kim Seong Woon
    • Proceedings of the Korea Concrete Institute Conference
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    • 2004.05a
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    • pp.770-773
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    • 2004
  • The full-width, full-depth precast panel system is very efficient for the rehabilitation of deteriorated decks as well as for new bridge construction.. The horizontal bond strength at the interface between the two interconnected elements is of primary importance in order to achieve composite action. The strength of the bond between the two precast members should be high enough to prevent any progressive slip from taking place. However, the case when both of the interconnected elements are precast members bonded by means of grout, is not currently addressed by KBDC or AASHTO. This is the main impetus for this study. A total 43 push-off tests were performed to evaluate the horizontal bond strength and to recommend the best practice for the system. Test parameters included different interface surface conditions, different amount and different types of shear connectors. The presence of the shear keys at the top surface of the beam increased the interface bond capacity tremendously compared to the bond capacity with a different surface conditions.

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An Analytic study on the bond of the contact surface in CFT tubular column (중심축하중을 받는 CFT 합성기둥의 접촉면 부착에 관한 해석적 연구)

  • Ye, Sang-Min;Lee, Soo-Young;Kim, Yun-Tae;Park, Seoug-Moo
    • Proceeding of KASS Symposium
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    • 2005.05a
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    • pp.205-212
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    • 2005
  • In order for utilization of the concrete filled tubular, It Is necessary to scrutinize interfacial characteristics between heterogeneous materials, and be performed to various analytical studies on the composite structure. In this paper, this analytic study is carried on using ABAQUS Package/ Version 5.8-1, and the variables aye the relations between the coefficient of friction and the contact pressure for analyzing the behavior on the contact surface, through modifying the analytic methods and improving some problems. It is used to subdivided analytical methods in this research which categorize into four regions and can obtain closer effect for the bond behavior. Four categories compose of the chemical bond and mechanical bond legions replaced the full-interaction before yielding, and the pure friction and moving-down regions after yielding.

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