• Title/Summary/Keyword: Transition state theory

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Adsorption on Solid Surface from Binary Liquid Solution (이성분 용액에서의 고체 표면에 대한 흡착)

  • Seihun Chang;Hyungsuk Pak;Sangyoun Park
    • Journal of the Korean Chemical Society
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    • v.17 no.2
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    • pp.80-84
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    • 1973
  • In treating solid-liquid interfaces, it is assumed that the adsorbed layer consists of monolayer and the molecules of the adsorbed layer behave as two dimensional liquid and oscillate harmonically in the vertical direction to the adsorbent. Applying the transition state theory of significant liquid structure to the adsorbed molecules, the adsorption isotherm, entropy and heat of adsorption for cyclohexane-benzene solutions adsorbed on silica-gel G are calculated. The calculated values are in good agreements with those of the observed ones.

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A study on the fuzzy simulation for real world system (실세계 시스템의 퍼지 시뮬레이션에 관한 연구)

  • 이은순
    • Journal of the Korea Society for Simulation
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    • v.6 no.2
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    • pp.105-115
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    • 1997
  • Fuzzy simulation predicts the behaviors of real system based on a model by qualitative reasoning methods and simulates the representation of ambiguous values on the real system variables using the theory of fuzzy sets. During the simulation, however, unnecessary behaviors due to the fuzzy representation are created, and the number of states of system variables changing temporally in the time axis is drastically increased. In this paper, we present a new algorithm which eliminates the spurious behaviors from the great number of result values due to the results of the fuzzy operation, and reduces the number of the states by transforming the complex state transition rules. This paper also shows the easy implementation of the simulation by using the existing package while it is difficult on the PC due to the complexities of the calculation.

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3D Radiation-Hydrodynimics for surface turbulence of Low-mass Stars

  • Bach, Kiehunn;Kim, Yong-Cheol
    • The Bulletin of The Korean Astronomical Society
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    • v.44 no.1
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    • pp.84.3-84.3
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    • 2019
  • We investigate 3D radiation-hydrodynamics (RHD) for surface convection of the solar-type low-mass stars (M = 0.8, 0.9, and 1.0 Msun). The outer convection zone (CZ) of low-mass stars is an extremely turbulent region composed of partly ionized compressible gases at high temperature. Particularly, the super-adiabatic layer (SAL), the top of the CZ is the transition region where the transport of energy changes drastically from convection to radiation. In order to accurately describe physical processes, a realistic treatment of radiation should be considered as well as convection. As a starting model, the initial stratification in the outer envelope calculated using the solar calibrations in the context of the standard stellar theory. When the numerical fluid becomes thermally relaxed, the thermodynamic structure of the steady-state turbulent flow was explicitly collected. In this presentation, we compared thermodynamic properties of turbulent convection of the solar-type low-mass stars.

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Determination of the Kinetic Energy Release Originating from the Reverse Critical Energy in Unimolecular ion Dissociation

  • Yeh, In-Chul;Lee, Tae-Geol;Kim, Myung-Soo
    • Bulletin of the Korean Chemical Society
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    • v.15 no.3
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    • pp.241-245
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    • 1994
  • A method has been developed to estimate the kinetic energy release originating from the reverse critical energy in unimolecular ion dissociation. Contribution from the excess energy was estimated by RRKM theory, the statistical adiabatic model and the modified phase space calculation. This was subtracted from the experimental kinetic energy release distribution (KERD) via deconvolution. The present method has been applied to the KERDs in $H_2$, loss from $C_6H_6^+$ and HF loss from ${CH_2CF_2}^+$. In the present formalism, not only the energy in the reaction coordinate but also the energy in some transitional vibrational degrees of freedom at the transition state is thought to contribute to the experimental kinetic energy release. Details of the methods for treating the transitional modes are found not to be critical to the final outcome. For a reaction with small excess energy and large reverse critical energy. KERD is shown to be mainly governed by the reverse critical energy.

A Construction Theory of Multiple-Valued Logic Fuctions on GF($(2^m)$ by Bit Code Assignment (Bit Code할당에 의한 GF($(2^m)$상의 다치논리함수 구성 이론)

  • Kim, Heung Soo;Park, Chun Myoung
    • Journal of the Korean Institute of Telematics and Electronics
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    • v.23 no.3
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    • pp.295-308
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    • 1986
  • This paper presents a method of constructing multiple-valued logic functions based on Galois field. The proposed algorithm assigns all elements in GF(2**m) to bit codes that are easily converted binary. We have constructed an adder and a multiplier using a multiplexer after bit code operation (addition, multiplication) that is performed among elements on GF(2**m) obtained from the algorithm. In constructing a generalized multiple-valued logic functions, states are first minimized with a state-transition diagram, and then the circuits using PLA widely used in VLSI design for single and multiple input-output are realized.

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Dynamic Network Loading Model based on Moving Cell Theory (Moving Cell Theory를 이용한 동적 교통망 부하 모형의 개발)

  • 김현명
    • Journal of Korean Society of Transportation
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    • v.20 no.5
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    • pp.113-130
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    • 2002
  • In this paper, we developed DNL(Dynamic Network Loading) model based on Moving cell theory to analyze the dynamic characteristics of traffic flow in congested network. In this paper vehicles entered into link at same interval would construct one cell, and the cells moved according to Cell following rule. In the past researches relating to DNL model a continuous single link is separated into two sections such as running section and queuing section to describe physical queue so that various dynamic states generated in real link are only simplified by running and queuing state. However, the approach has some difficulties in simulating various dynamic flow characteristics. To overcome these problems, we present Moving cell theory which is developed by combining Car following theory and Lagrangian method mainly using for the analysis of air pollutants dispersion. In Moving cell theory platoons are represented by cells and each cell is processed by Cell following theory. This type of simulation model is firstly presented by Cremer et al(1999). However they did not develop merging and diverging model because their model was applied to basic freeway section. Moreover they set the number of vehicles which can be included in one cell in one interval so this formulation cant apply to signalized intersection in urban network. To solve these difficulties we develop new approach using Moving cell theory and simulate traffic flow dynamics continuously by movement and state transition of the cells. The developed model are played on simple network including merging and diverging section and it shows improved abilities to describe flow dynamics comparing past DNL models.

The Conceptual Study of Knowledge Adoption based on Resource and Institutionalization Theory for Organizational Knowledge Creation Applied to Knowledge Management Systems (지식 원천 이론과 제도적 이론 관점에서 조직의 지식 수용과 창출에 관한 개념적 연구)

  • Sun, Jong-Hak;Yoon, Jung-Hyeon
    • Management & Information Systems Review
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    • v.35 no.2
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    • pp.119-136
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    • 2016
  • The purpose of this study are as follows : First, This study conceptually provide an insight of reasons that organizations seek to create, acquire, store and distribute knowledge at the level of an organization and of process how they can transform or evolve to knowledge based organizations. Second, this study confirms examine what theories can be used to knowledge management, how such theories can be useful to analyse knowledge management and provide a theoretical foundation for knowledge management research. Applied to the theories of knowledge based and resource based view and institutional theory, the essence of knowledge management confirms that the organization finds job-related knowledge and know-how retained by individual of organizational members systematically and shares common knowledge within the organization and explains knowledge creation, multi-dimensional knowledge transition and share in all dimension of individual, group, and organization. As a result of comparative analysis of theory of organizational knowledge creation theory, In knowledge management, building of knowledge-creative culture, transitional process of explicit knowledge and tacit knowledge, knowledge creation and knowledge operation are important. In the basis on these study results, we discussed how the organizational knowledge creation theory can be used to manage knowledge in the organization, and also proposed hypotheses based on some arguments against the universal acceptance of the theory.

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Unidirectional Photo-induced Charge Separation and Thermal Charge Recombination of Cofacially Aligned Donor-Acceptor System Probed by Ultrafast Visible-Pump/Mid-IR-Probe Spectroscopy

  • Kim, Hyeong-Mook;Park, Jaeheung;Noh, Hee Chang;Lim, Manho;Chung, Young Keun;Kang, Youn K.
    • Bulletin of the Korean Chemical Society
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    • v.35 no.2
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    • pp.587-596
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    • 2014
  • A new ${\pi}$-stacked donor-acceptor (D-A) system, [Ru(1-([2,2'-bipyridine]-6-yl-methyl)-3-(2-cyclohexa-2',5'-diene-1,4-dionyl)-1H-imidazole)(2,2':6',2"-terpyridine)]$[PF_6]_2$ (ImQ_T), has been synthesized and characterized. Similar to its precedent, [Ru(6-(2-cyclohexa-2',5'-diene-1,4-dione)-2,2':6',2"-terpyridine)(2,2':6',2"-terpyridine)]$[PF_6]_2$ (TQ_T), this system has a cofacial alignment of terpyridine (tpy) ligand and quinonyl (Q) group, which facilitates an electron transfer through ${\pi}$-stacked manifold. Despite the presence of lowest-energy charge transfer transition from the Ru-based-HOMO-to-Q-based-LUMO (MQCT) predicted by theoretical calculations by using time-dependent density functional theory (TD-DFT), the experimental steady-state absorption spectrum does not exhibit such a band. The selective excitation to the Ru-based occupied orbitals-to-tpy-based virtual orbital MLCT state was thus possible, from which charge separation (CS) reaction occurred. The photo-induced CS and thermal charge recombination (CR) reactions were probed by using ultrafast visible-pump/mid-IR-probe (TrIR) spectroscopic method. Analysis of decay kinetics of Q and $Q^-$ state CO stretching modes as well as aromatic C=C stretching mode of tpy ligand gave time constants of <1 ps for CS, 1-3 ps for CR, and 10-20 ps for vibrational cooling processes. The electron transfer pathway was revealed to be Ru-tpy-Q rather than Ru-bpy-imidazol-Q.

A Study on Social welfare relevance Appearing in Freud's psychoanalytic theory (프로이트의 정신분석이론에 나타난 사회복지 연관성 연구)

  • Yang, Chol-Soo
    • Industry Promotion Research
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    • v.4 no.1
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    • pp.29-43
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    • 2019
  • This study is to discusses the relevance of social welfare in Freud's psychoanalytic theory. The results of the study are as follows. First, psychoanalytic theory details the client's family history and personal history to help them identify the characteristics of the problem they have today. At this time, social workers actively listen to clients and try to get various information.Second, when used in psychoanalytic techniques, the resistance of the client can be interpreted and analyzed to help the client maintain friendly relationships with the client.Third, psychoanalytic theory can properly apply the client's current state of mind by understanding the potential conflicts or emotions that exist in the client's unconscious mind. Fourth, during the process of intervention, social workers need to deal well with the client's transition response. This process allows social workers to observe the effect of reducing the stimuli that can cause nervousness in clients.In conclusion, all the techniques of interpretation used in psychoanalytic theory are, after all, techniques that help social workers improve clients' insight into their problems and help clients solve their psychological problems themselves. The psychoanalytic theory is widely applied in social welfare.

Superconducting property in the Zn substituted MgC$Ni_3$ (Zn로 치환된 MgCN $i_3$의 초전도 특성)

  • 이용우;김진수;박민석;이성익;심지훈;민병일;최은집
    • Progress in Superconductivity
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    • v.4 no.2
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    • pp.144-147
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    • 2003
  • We investigated superconducting property of ($Mg_{1-x}$$Zn_{x}$)$CNi_3$ (x=0,0.03, 0.06, 0.09, 0.12, 0.15, and 0.18) sample where Mg is substituted with Zn. The samples were synthesized us ins the solid state reaction method under As atmosphere. X -ray diffraction spectra show that the $MgCNi_3$ structure is maintained up to x=18. With increasing x, the lattice constant (or the Ni-Ni distance) decreases. Magnetic susceptibility measurement shows that $T_{c}$ decreases systematically with x and becomes ~2K at x =0.18. Surprisingly, the transition width remains sharp (~0.3K). Under some assumptions, we estimate the coupling constant in the McMillan formula as a function of x which we interpret in terms of the BCS theory.y.y.y.

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