• Title/Summary/Keyword: Equilibrium Constant

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Observation of Moisture Content in Wood at Non-Steady State

  • Hwang, Sung-Wook;Lee, Won-Hee
    • Journal of the Korea Furniture Society
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    • v.20 no.6
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    • pp.599-604
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    • 2009
  • For the search of unified law of moisture movement in wood, moisture distribution of Korean red pine at non-steady state was investigated. We assume that the equilibrium moisture content (EMC) in wood depends on only temperature and relative humidity, it can be control in temperature and humidity chamber. If temperature is constant and humidity or vapor pressure is changed with sin curve shape at adequate cycles, EMC in chamber can be changed as well with sin-curve shape. The setup condition of a non-steady state in humidity control chambers is a constant temperature at $20^{\circ}C$ and 15+10 sin ${\omega}t$ percent EMC. It can be found that the distribution of moisture in the specimen with varying relative humidity are illustrated various types. Moisture in wood is complicated and vibrates with the moisture sorption process. Considering a unified law of moisture movement in wood, it is considered that the most important fact is to search the method of precise diffusion & transfer coefficients.

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Loss of HCN from the Pyrazine Molecular Ion: A Theoretical Study

  • Jung, Sun-Hwa;Yim, Min-Kyoung;Choe, Joong-Chul
    • Bulletin of the Korean Chemical Society
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    • v.32 no.7
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    • pp.2301-2305
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    • 2011
  • The potential energy surface (PES) for the loss of HCN or HNC from the pyrazine molecular ion was determined based on quantum chemical calculations using the G3//B3LYP method. Four possible dissociation pathways to form four $C_3H_3N^{+{{\bullet}}$ isomers were examined. A Rice-Ramsperger-Kassel-Marcus quasi-equilibrium theory model calculation was performed to predict the dissociation rate constant and the product branching ratio on the basis of the obtained PES. The resultant rate constant for the HCN loss agreed with the previous experimental result. The kinetic analysis predicted that the formation of $CH=CHN{\equiv}CH^{+{\bullet}}+HCN$ was predominant, which occurred by three consecutive steps, a C-C bond cleavage to form a linear intermediate, a rearrangement to form an H-bridged intermediate, and elimination of HCN.

Adsorption of Metal Ions on Cryptand Synthetic Resin (Cryptand 합성수지에 위한 금속 이온들의 흡착)

  • Lee Chi-Young;Kim Joon-Tae
    • Journal of environmental and Sanitary engineering
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    • v.20 no.4 s.58
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    • pp.38-44
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    • 2005
  • Cryptand resins were synthesized with 1-aza-15-crown-5 macrocyclic ligand attached to styrene divinylbenzene (DVB) copolymer with crosslink of $1\%,\;2\%,\;5\%\;and\;10\%$ by substitution reaction. The synthesis of these resins was confirmed by content of chlorine, element analysis, and IR-spectrum. The effects of pH, time, dielectric constant of solvent and crosslink on adsorption of uranium$(UO_2^{2+})$ ion were investigated. The uranium ion was showed fast adsorption on the resins above pH 3. The optimum equilibrium time for adsorption of metallic ions was about two hours. The adsorption selectivity determined in ethanol was in increasing order uranium$(UO_2^{2+})$ > zinc$(Zn^{2+})$ > samarium$(Sm^{3+})$ ion. The adsorption was in order of $1\%>2\%>5\%>10\%$ crosslink resin and adsorption of resin decreased in proportion to order of dielectric constant of solvents.

Preparation and Oxygen Binding Properties of Ultra-Thin Polymer Films Containing Cobalt(II) meso-Tetraphenylporphyrin via Plasma Polymerization

  • Choe, Youngson
    • Macromolecular Research
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    • v.10 no.5
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    • pp.273-277
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    • 2002
  • Ultra-thin polymer films containing cobalt(II) meso-tetraphenylporphyrin(CoTPP) have been prepared by vacuum codeposition of the metal complex and trans-2-butene as an organic monomer using an inductively coupled RF glow discharge operating at 7-9 Watts. The polymer films were characterized by sorption measurements. Sorption data obtained for polymer films containing CoTPP indicate that the CoTPP molecules are capable of reversibly binding oxygen molecules. It was found that the adjacent CoTPP molecules in the aggregated metal complex phase could irreversibly share the oxygen molecules. A dispersion of the metal complex molecules in the polymer matrix was made to maintain the reversible reactivity of the metal complex molecules with oxygen in the polymer films via vacuum evaporation process. The Henry mode solubility constant, the Langmuir mode capacity constant, the amount of binding oxygen, and the dissociation equilibrium in the dual mode sorption theory were discussed.

Buckling oad and Post-buckling Behavior of Tapered Column with Constant Volume and Both Clamped Ends (일정체적 양단고정 변단면 기둥의 좌굴하중 및 후좌굴 거동)

  • 이병구
    • Magazine of the Korean Society of Agricultural Engineers
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    • v.41 no.5
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    • pp.112-122
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    • 1999
  • 이 논문은 일정체적을 갖는 양단고정 변단면 기둥의 좌굴하중 및 후좌굴 거동에 관한 연구이다. 기둥의 변단면으로는 직선형, 포물선형, 정현의 선형을 갖는세 가지 변단면을 채택하였다. Bernoulli-Euler 보 이론을 이용하여 압축하중이 작용하여 좌굴된 기둥이 정확탄성곡선을 지배하는 미분방정식을 유도하였다. 유도된 미분방정식을 Runge-Kutta 법과 REgula-Falsi법을 이용하여 수치해석하였다. 수치해석의 결과로 좌굴하중, 좌굴기둥의 평형경로 및 정확탄성곡선을 산출하였다. 또한 좌굴하중-단면비 곡선으로부터 최강기둥의 좌굴하중과 단면비를 산출하였다.

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Study on the prediction of performance and emission of a 4-cylinder 4-stroke cycle spark ignition engine (4기통 4사이클 스파크 점화기관의 성능 및 배기조성 예측에 관한 연구)

  • 유병철;최영돈;윤강식
    • Journal of the korean Society of Automotive Engineers
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    • v.10 no.4
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    • pp.39-56
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    • 1988
  • In this study, the computer program was developed to predict the engine performances and exhaust emissions of a 4-cylinder 4-stroke cycle ignition engine including intake and exhaust system. The simulation models applied to each process were as follows. For the combustion process, two zone model which requires only one empirical constant was applied, and for the gas exchange process, the method of characteristics that allows the calculations of the time variation and spatial variation of properties along the pipes was used. Constant pressure perfect mixing model was applied to take into account of the interaction at manifold branches. To predict exhaust emissions, twelve chemical species were considered to be present in combustion products. These species were calculated through equilibrium thermodynamics and kinetic theory. The empirical constants reduced to least number as possible were determined through the comparison with the experimental indicator diagram of one particular operating condition and these constants were applied to other operating conditions. The predicted performances and emissions were compared with the experimental results over the wide range of operating conditions.

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Study on the Melting Point of Ar by Molecular Dynamic Simulation (Ar의 녹는점에 관한 분자동역학적 고찰)

  • Chung, Jae-Dong
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.19 no.12
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    • pp.883-888
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    • 2007
  • As a starting point of investigating what molecular dynamic simulations can reveal about the nature of atomic level of heating and cooling process, argon described by the LJ potential is considered. Stepwise heating and cooling of constant rates are simulated in the NPT (constant number, pressure and temperature) ensemble. Hysteresis is found due to the superheating and supercooling. Drastic change of volume and energy is involved with phase change, but the melting point can not be obtained by simply observing the changes of these quantities. Since liquid and solid phases can co-exist at the same temperature, Gibbs free energy should be calculated to find the temperature where the Gibbs free energy of liquid is equal to that of the solid since the equilibrium state is the state of minimum Gibbs free energy. The obtained melting temperature, $T^*=0.685$, is close to that of the experiment with only 2% error.

Chemical Equilibria of Nickel Chloride in HCl Solution at 25˚C

  • Lee, Man-Seung;Nam, Sang-Ho
    • Bulletin of the Korean Chemical Society
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    • v.30 no.10
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    • pp.2203-2207
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    • 2009
  • Chemical equilbria of nickel chloride in HCl solution at $25\;{^{\circ}C}$ were analyzed by considering chemical equilibria, mass and charge balance equations. The activity coefficients of solutes were calculated by using Bromley equation. The necessary thermodynamic properties, such as the equilibrium constant for the formation of Ni$Cl^+$ at zero ionic strength and interaction parameter, were evaluated by applying Bromley equation to the stability constant data reported in the literature. It was found that most nickel exists as $Ni^{2+}$ in HCl solution up to 5 molality HCl. The pH values of Ni$Cl_2-HCl-H_2O$ system at $25\;{^{\circ}C}$ calculated in this study agreed well with the pH values measured by employing pH meter.

The Reaction Rate Constants of ${\alpha}-Methylstyrene-co-Methylmethacrylate\;{\alpha}Methylstyrene-co-Acrylonitrile$ (알파메틸스티렌-메틸메타이크릴레이트 및 알파메틸스티렌-아크릴로니트릴의 라디칼 공중합의 반응속도상수)

  • Kim, Nam-Seok;Seul, Soo-Duk
    • Elastomers and Composites
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    • v.28 no.3
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    • pp.183-190
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    • 1993
  • The radical copolymerization with propagation and depropagation is presented in order to estimate reactivity rate of monomers and $K_{11}$(the equilibrium constant for propagation and depropagation) in the copolymerization of ${\alpha}-methylstyrene-co-methylmethacrylate$ and ${\alpha}-methylstyrene-acrylonitrile$. The value of ${\alpha}-methylstyrene$ and methylmethacrylate and $K_{11}$ are found to be 0.48, 0.47 and 5.0 respectively. The value of ${\alpha}-methylstyrene$ and acrylonitrile and the $K_{11}$ are found to be 0.1251, 0.0577 and 23.8 respectively. The treatment rate constant of ${\alpha}-methylstyrene-co-methylmethacrylate$ and ${\alpha}-methylstyrene-co-acrylonitrile$ in the copolymerization is estimated to be 2.5, 80.72 regardless of monomer feed composition.

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A Statistical Thermodynamic Study on the Conformational Transition of Oligopeptide Multimer

  • Kim, Yong Gu;Park, Hyeong Seok
    • Bulletin of the Korean Chemical Society
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    • v.17 no.2
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    • pp.131-138
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    • 1996
  • The conformational transition of oligopeptide multimer,-(HPPHPPP)n-, is studied (H:hydrophobic amino acid, P:hydrophilic amino acid). The helix/coil transitions are detected in the multimer. The transition depends on the number of amino acid in the sequence, the concentration of the oligopeptide, and temperature which affects helix stability constant (${\xi}$) and hydrophobic interaction parameter (wj). In the thermodynamic equilibrium system jA${\rightarrow}$Aj (where A stands for oligopeptide monomer), Skolnick et al., explained helix/coil transition of dimer by the matrix method using Zimm-Bragg parameters ${\xi}$ and $\sigma$ (helix initiation constant). But the matrix method do not fully explain dangling H-bond effects which are important in oligopeptide systems. In this study we propose a general theory of conformational transitions of oligopeptides in which dimer, trimer, or higher multimer coexists. The partition of trimer is derived by using zipper model which account for dangling H-bond effects. The transitions of multimers which have cross-linked S-S bonds or long chains do not occur, because they keep always helical structures. The transitions due to the concentration of the oligopeptides are steeper than those due to the chain length or temperature.