• Title/Summary/Keyword: potential state

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Study on Electrochemical Performance of Solid-State-Electrode on Steel bar in Chloride Solution (염화물 수용액 중의 철근에 대한 고체전극의 전기화학적 성능 연구)

  • Park, Dong-Jin;Park, Jang-Hyun;Lee, Han-Seung;Subbiah, Karthick
    • Proceedings of the Korean Institute of Building Construction Conference
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    • 2018.05a
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    • pp.147-148
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    • 2018
  • In order to compare the electrochemical performance with that of Calomel Electrode, MnO2 solid-state-electrode was fabricated and its potential and impedance were measured in chloride aqueous solution. As a result, the SCPS without chloride ions showed a potential of -200 mV or more and an impedance over 2000 Ωcm, but the potential below -600 mV and the impedance below -200 Ωcm showed as the chloride concentration in the solution increased. It is considered electrochemical studies on the corrosion of rebar are necessary for the MOE, which shows the same tendency as SCE and exhibits electrochemical performance, over the Mortar level in the future.

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Reversible Excited-State Proton Transfer: Effect of the Switching of Interaction Potential by Reaction

  • Lee, Jin-uk;Uhm, Je-sik;Lee, Woo-Jin;Lee, Sang-youb;Sung, Jae-young
    • Bulletin of the Korean Chemical Society
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    • v.27 no.2
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    • pp.197-202
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    • 2006
  • In the reaction A + B $^\rightarrow_\leftarrow$ C, where A and B are ionic reactants having opposite charges, a B molecule approaching an A will experience a switching of the interaction potential when the A molecule is captured by one of the other B molecules in the medium. In the reversible case, the former B molecule still has a chance to react with the A, so that one needs to take into account the switched interaction between the reactant B and the product C as well as that between the reactants to treat the kinetics accurately. It is shown that this kind of interaction potential switching affects the relaxation kinetics in an intriguing way as observed in a recent experiment on an excited-state proton transfer reaction.

The Construction of Semi-diabatic Potential Energy Surfaces of Excited States for Use in Excited State AIMD Studies by the Equation-of-Motion Coupled-Cluster Method

  • Baeck, Kyoung-Koo;Martinez, Todd J.
    • Bulletin of the Korean Chemical Society
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    • v.24 no.6
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    • pp.712-716
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    • 2003
  • The semi-diabatic potential energy surfaces (PESs) of the excited states of polyatomic molecules can be constructed for use in ab initio molecular dynamics (AIMD) studies by relying on the continuity of the electronic energy, oscillator strength, and spherical extent of an excited state along with first derivatives of these quantities as computed by using the equation-of-motion coupled-cluster (EOM-CC) method. The semidiabatic PESs of both the π → $π^*$ valence excited state and the 3s-type Rydberg state of ethylene are presented and discussed in this paper, in conjunction with some of the AIMD results we obtained for these states.

Dirac Phenomenological Analyses of 1.047-GeV Proton Inelastic Scatterings from 62Ni and 64Ni

  • Shim, Sugie
    • Journal of the Korean Physical Society
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    • v.73 no.11
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    • pp.1631-1636
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    • 2018
  • Unpolarized 1.047-GeV proton inelastic scatterings from the Ni isotopes $^{62}Ni$ and $^{64}Ni$ are analyzed phenomenologically employing an optical potential model and the first-order collective model in the relativistic Dirac coupled channel formalism. The Dirac equations are reduced to $Schr{\ddot{o}}dinger-like$ second-order differential equations, and the effective central and spin-orbit optical potentials are analyzed by considering the mass-number dependence. The multistep excitation via the $2^+$ state is found to be important for the $4^+$ state excitation in the ground state rotational band for proton inelastic scatterings from the Ni isotopes. The calculated deformation parameters for the $2^+$ and the $4^+$ states of the ground state rotational band and for the first $3^-$ state are found to agree pretty well with those obtained from nonrelativistic calculations.

Analysis of Binodal Structures of Final State Distributions in Vibrational Predissociations of Triatomic van der Waals Molecules

  • 이천우
    • Bulletin of the Korean Chemical Society
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    • v.16 no.12
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    • pp.1193-1203
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    • 1995
  • In this work, we focused on the setup of the tools for the analysis of the final rotational state distribution of photofragments in vibrational predissociations of triatomic van der Waals molecules A-B2. We found that reflection principle used for the direct photodissociation processes can also be applied to find out the final rotational state distributions for indirect photodissociation processes. The quantity which represents the strength of rovibrational coupling between the quasi-bound state and the final state is reflected into the mirror of the classical angular momentum function, instead of the initial state before light absorption used in the reflection principle of direct processes. The sign change in the first derivative of the interaction potential with respect to the bond distance of B2 is found to be the source of the binodal structures in the final rotational distributions of photofragments in the model system studied in this work. In MQDT analysis, short range eigenchannel basis functions were found to be localized in angle, in the previous work [Lee, C.W. Bull. Korean Chem. Soc. 1995, 16, 957.] and may be called angle functions. Angle functions enjoy simple geometrical structures which have simple functional relations with the final state distributions of photofragments. Two processes take place along the angle functions which resemble the quasi-bound state and dominate over other processes. Two such angle functions are found to be not only localized angularly but also localized either one of ends of B2 in motions along the bond of B2. These dominating photodissociation processes, however, cancel each other. This cancellation causes photodissociation to depend sensitively on the interaction potential at other angles than the dominant one. Part of potential surface where much larger torque exists can now play an important role in photodissociation. MQDT also enables us to see which processes play important roles after cancellation. This is done by examining the amounts of time delayed by asymptotic eigenchannels.

Growth and Electrochemical Behavior of Poly[Ni(saldMp)] on Carbon Nanotubes as Potential Supercapacitor Materials

  • Zhang, Yakun;Li, Jianling;Kang, Feiyu;Wang, Xindong;Ye, Feng;Yang, Jun
    • Bulletin of the Korean Chemical Society
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    • v.33 no.6
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    • pp.1972-1978
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    • 2012
  • The polymer of (2,2-dimethyl-1,3-propanediaminebis(salicylideneaminato))-nickel(II), Ni(saldMp), was deposited on multi-walled carbon nanotubes (MWCNTs) substrate by the route of potential linear sweep. The nano structures of poly[Ni(saldMp)] have been obtained by adjusting the monomer concentration of 0.1, 0.2, 0.5, 1.0 and 1.5 mmol $L^{-1}$. The poly[Ni(saldMp)] prepared in acetonitrile solution with monomer concentration of 1.0 mmol $L^{-1}$ shows the fastest growth rate. The effects of potential window on charge-discharge efficiency and electrodeposition scan number on capacitance performance were discussed. Poly[Ni(saldMp)] prepared with less electrodeposition scans exhibits higher capacitance, but this goes against the improvement of the whole electrode capacitance. Sample with 8 deposition scans is the best compromise with the geometric specific capacitance 3.53 times as high as that of pure MWCNTs, and 1.24 times for the gravimetric specific capacitance under the test potential window 0.0-1.0 V.

Comparison of Potentials for Polymeric Liquids (고분자액체에 대한 포텐셜의 비교)

  • Jeong, Hae Yeong
    • Journal of the Korean Chemical Society
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    • v.46 no.6
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    • pp.545-549
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    • 2002
  • Many theories for polymeric liquids are based on the concepts of cell, hole, free volume or lattice etc. In the theories, van der Waals potential, Lennard-Jones 6-12 potential and their modified potentials are commonly used.In this work, Mie(p, 6) potential was applied to the Continuous Lattice Fluid Theory (which extends the discrete lattices of Lattice Fluid Theory to classically continuous lattices) and Dee-Walsch's Cell Theory (which modifies Flory's Equa-tion of State Theory). Both of them are known to be successful theories for polymeric liquids. Thus, PVT values chang-ing with p (the exponent in the repulsion potential) were calculated and compared with experimental values. And, calculated values of Lattice Fluid Theory, Flory's Equation of State Theory and Cho-Sanchez Theory using pertubation method were also compared. Through the calculated results, van der Waals potential, Lennard-Jones 6-12 potential and Mie(p, 6) potential for polymeric liquids were compared with each other.

Anti-Crisis Management In The System Of Economic Security Of International Business

  • Blakyta, H.V.;Zubko, T.L.;Zhuk, O.S.;Kasianova, A.O.;Guliaieva, N.M.;Vavdiichyk, I.M.
    • International Journal of Computer Science & Network Security
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    • v.22 no.8
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    • pp.269-274
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    • 2022
  • Economy of Ukraine is characterized by the rapidly increased level of financial failures at a corporate level. Conditions of doing business in Ukraine become tighter year after year and it should motivate the business owners not only to watch more accurately the state in which their business is but also to introduce new, more precise, more tight systems of crisis management and economic security. The experience shows that in order to stay afloat and not to suffer losses companies should pay more attention to different areas of economic security, such as production potential, financial indicators, logistics, staff, etc. For this purpose companies should use a system of valuation of the most important for their activity indicators and transform their values in an integral one in order to use this assessment in making managerial decisions. Such a valuation is one of the components which the article presents. The article also reveals the key points which characterize crisis management as an integral part of enterprise development and economic security. There are specified the essence and problems of crisis management and proposed the ways of raising the level of economic security of a company based on the example of an industrial and commercial enterprise. The key focus of the enterprise's economic security management is defined as constructive responses to threats from the external environment and, as a result, ensuring stable functioning and effective realization of untapped potential in the future. The current assumption is to explain the scheme of strategic management of an industrial and commercial enterprise and to calculate the methodology of an express assessment of the level of enterprise economic security, taking into account the components of crisis management. To assess the level of economic security of the enterprise, it is proposed to use the method of point assessment, which is based on a multi-level system of indicators, which covers the main areas of the enterprise's activity.

Electronic State of ZnO doped with Al, Ga and In, Calculated by Density Functional Theory (범함수궤도법을 이용하여 계산한 Al, Ga, In이 도핑된 ZnO의 전자상태)

  • Lee, Dong-Yoon;Lee, Won-Jae;Song, Jae-Sung
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2004.11a
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    • pp.218-221
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    • 2004
  • The electronic state of ZnO doped with Al, Ga and In, which belong to III family elements in periodic table, was calculated using the density functional theory. In this study, the program used for the calculation on theoretical structures of ZnO and doped ZnO was Vienna Ab-initio Simulation Package (VASP), which is a sort of pseudo potential method. The detail of electronic structure was obtained by the describe variational $X{\alpha}(DV-X{\alpha})$(DV-Xa) method, which is a sort of molecular orbital full potential method. The optimized crystal structures obtained by calculations were compared to the measured structure. The density of state and energy levels of dopant elements was shown and discussed in association with properties.

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Determination of flight route using optimal control theory (최적 제어 이론을 사용한 비행 경로 선정)

  • 김을곤
    • 제어로봇시스템학회:학술대회논문집
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    • 1992.10a
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    • pp.407-411
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    • 1992
  • A method for optimal route planning is presented with the assumption that the overall defended area is known in terms of threat potential function. This approach employes tangent plane to reduce the dimension of the state space for optimal programming problems with a state equality constraint. One-dimensional search algorithm is used to select the optimal route among the extermal fields which are obtained by integrating three differential equations from the initial values. In addition to being useful for the route planning through threat potential area, the trajectory planning will be suitable for general two-dimensional searching problems.

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