• 대한화학회지
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• 제7권4호
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• pp.264-270
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• 1963

前報에서 誘導한 置換基效果 一般關係式은 溶媒組成에 따르는 常數, Y를 potential energy 項에 代置함으로서 solvolysis 反應에 適用할 수가 있다. 新方程式, $\Delta{\Delta}H^\neq=a'Y+b\Delta{\Delta}S^\neq$, 의 適用性은 文獻에 報告된 35個反應에 對한 直線關係를 調査해 봄으로서 檢討하였다. 結果로 平均 相關係數 0.977을 얻었고, 따라서 이 方程式이 solvolysis反應에 一般的으로 適用됨을 밝혔고, 또 Grunwald-Winstein의 式이 지니는 몇몇 難點을 解決할 수가 있음을 알 수 있었다. enthalypy-entopy 直線效果는 外部 enthalpy와 外部 entropy에 限한 것이며, 嚴格히 말해서 外部 enthalpy entropy 直線效果임을 强調하였다.

• Bulletin of the Korean Chemical Society
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• 제10권1호
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• pp.50-57
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• 1989

A pressure effect of the dehydrogenation of ethylalcohol catalyzed by alcoholdehydrogenase was observed in Tris-HCl buffer, pH 8.8 from $25^{\circ}C$ to $35^{\circ}C$ under high pressure system by using our new theory. The theory makes it possible for us to obtain all rate and equilibrium constants for each step of all enzymatic reaction with a single intermediate. We had enthalpy and volume profiles of the dehydrogenation to suggest a detail and reasonable mechanism of the reaction. In these profiles, both enthalpy and entropy of the reaction are positive and their values decrease with enhancing pressure. It means that the first step is endothermic reaction, and its strength decrease with elevating pressure. At the same time, all activation entropies have large negative values, which prove that not only a ternary complex has a more ordered structure at transition state, but also water molecules make a iceberg close by the activated complex. In addition to this fact, the first and second step equilibrium states are controlled by enthalpy. The first step kinetic state is controlled by enthalpy but the second step kinetic state is controlled by entropy.

• Bulletin of the Korean Chemical Society
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• 제33권11호
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• pp.3607-3617
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• 2012

In this paper, the study of various ortho- and meta-substituted Magnolol derivatives is presented. The reaction enthalpies related to three antioxidant action mechanisms HAT, SET-PT and SPLET for substituted Magnolols have been calculated using DFT/B3LYP method in gas-phase and water. Calculated results show that electron-withdrawing substituents increase the bond dissociation enthalpy (BDE), ionization potential (IP) and oxidation/reduction enthalpy (O/RE), while electron-donating ones cause a rise in the proton dissociation enthalpy (PDE) and proton affinity (PA). In ortho- position, substituents show larger effect on reaction enthalpies than in meta-position. In comparison to gas-phase, water attenuates the substituent effect on all reaction enthalpies. In gas-phase, BDEs are lower than PAs and IPs, i.e. HAT represents the thermodynamically preferred pathway. On the other hand, SPLET mechanism represents the thermodynamically favored process in water. Results show that calculated enthalpies can be successfully correlated with Hammett constants (${\sigma}_m$) of the substituted Magnolols. Furthermore, calculated IP and PA values for substituted Magnolols show linear dependence on the energy of the highest occupied molecular orbital ($E_{HOMO}$).

• 분석과학
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• 제30권2호
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• pp.89-95
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• 2017

The thermodynamic functions for the binding of the peptide Substance P (SP) on the surface of lipid vesicles made of various types of lipids were obtained by using isothermal titration calorimetry. The reaction enthalpies measured from the experiments were -0.11 to $-4.5kcal\;mol^{-1}$. The sizes of the lipid vesicles were measured with dynamic light scattering instrument in order to get the correlation between the reaction enthalpies and the vesicle sizes. The bindings of SP on the lipid vesicles with diameter of 37 to 108 nm were classified into the enthalpy-driven reaction or the entropy-driven reaction according to the size of the lipid vesicles. For the enthalpy-driven binding reaction, the significance of the electrostatic interactions between SP and lipid molecules was affirmed from the experimental results of the DMPC/DMPG/DMPH and DMPC/DMPS/DMPH vesicles as well as the importance of the hydrophobic interactions between hydrophobic groups of SP and lipid molecules.

• 한국대기환경학회지
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• 제12권4호
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• pp.479-485
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• 1996

Volatile organic compounds are air pollutants exhausting from industrial process, evaporation of solvent, and so on. Most of VOCs are the combustible gas of low calorific value as it is diluted by air. The systems burning such a hazardous gas need to increase enthalpy in order to increase flame stability. In this study an incinerator with reciprocating flow in the honeycomb ceramic has been used for the experiment of VOCs control. By the reciprocating flow system, the enthalpy of combustion gas is effectively regenerated into the enthalpy increases of the combustible gas through the honeycomb ceramic, which provides a heat storage. The position of the reaction zone is strongly dependent on the parameters of mixture velocity and time frequency. Flame front is changed to the point where burning velocity is coincided with burning velocity in the honeycomb ceramic. In this system it is important that flame front should be located symmetrically at the center of honeycomb ceramic for the purpose of increasing the reaction rate at one point. Peak temperature becomes higher with decreasing time frequency, at which the flow direction is regularly reversed.

• Bulletin of the Korean Chemical Society
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• 제22권1호
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• pp.53-58
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• 2001

Sulfonated poly(phenylene sulfide) (SPPS) polymers were prepared by sulfonation of poly[methyl[4-(phenylthio) phenyl]sulfonium trifluoromethanesulfonate] (PPST) with fumic sulfonic acid (10% $SO_3-H_2SO_4$) and demethylation with aqueous NaOH solution. The equilibrium constants of ion exchange reactions between alkali metal cations ($Li^+,\;Na^+,\;and\;K^+$) and SPPS ion exchanger in organic solvents such as tetrahydrofuran (THF) and dioxane were measured. The equilibrium constants of ion exchange reactions increased as the polarity of the solvent increased, and the reaction temperature decreased. The equilibrium constants of the ion exchange reaction ($K_{eq}$) also increased in the order of $Li^+,\;Na^+,\;and\;K^+$. To elucidate the spontaneity of the exchange reaction in organic solvents, the enthalpy, entropy, and Gibbs free energy were calculated. The enthalpy of reaction ranged from -0.88 to -1.33 kcal/mol, entropy ranged from 1.42 to 4.41 cal/Kmol, and Gibbs free energy ranged from -1.03 to -2.55 kcal/mol. Therefore, the exchange reactions were spontaneous because the Gibbs free energies were negative. The SPPS ion exchanger and alkali metal ion bounding each other produced good ion exchange capability in organic solvents.

• 한국염색가공학회:학술대회논문집
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• 한국염색가공학회 2008년도 제38차 학술발표대회
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• pp.74-76
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• 2008

The hydrolyses of ten VS dyes were examined at 40$^{\circ}C$, 50$^{\circ}C$, and 60$^{\circ}C$ and the kinetic parameters were estimated. The values of free energy, enthalpy and entropy of hydrolysis and reaction with cellulose for VS dyes were calculated. The linear relationship exist between the enthalpy and entropy. The structure and entropy of VS dyes gave a effect on the dimerization for VS reactive dyes. The VS dyes have small value of entropy were formed dimer. It was confirmed that no dimer form for m-substituted VS dyes. There were similarities among various reactions including homo- and mixed dimerization.

• 대한전기학회논문지:전기물성ㆍ응용부문C
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• 제52권2호
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• pp.85-90
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• 2003

In this work $Cd_{4}GeSe_{6}$ and $Cd_{4}GeSe_{6}$ : $Co^{2+}$ single crystals were grown by the chemical transport reaction method and the structure of $Cd_{4}GeSe_{6}$ and $Cd_{4}GeSe_{6}$ : $Co^{2+}$ single crystals were monoclinic structure. The temperature dependence of optical energy 9ap was fitted well to Varshni equation. Also, the entropy, enthalpy and heat capacity were deduced from the temperature dependence of optical energy gap.

• 한국연소학회:학술대회논문집
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• 한국연소학회 2014년도 제49회 KOSCO SYMPOSIUM 초록집
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• pp.135-137
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• 2014

Excess enthalpy flame propagating an porous inert medium, which recirculate exhaust heat to the upstream cold mixture, is theoretically analyzed. Using the activation-energy asymptotics, the flame structure is divided into the thin reaction and the gas-phase preheat zone, as is traditionally done. Ahead and behind of the two, there exist an outer preheat zone, where heat is convectively transferred from solid to gas, and a downstream re-equilibrium zone, where thermal equilibrium between phases is established. Asymptotic solutions of species and energy equations in each zone are obtained and then matched to each other, and finally the mass burning rate is obtained as a function of the flame propagation velocity with respect to the solid phase and physical properties of gas and solid.

• 대한기계학회논문집
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• 제12권5호
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• pp.1113-1120
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• 1988

본 연구에서는 4종류의 실험 모델을 채택하여 연소 반응용다공성 블럭(combu- stive reacting porous block)내의 화염대 위치와 화염의 온도 분포, 화염이 안정화 되는 범위를 고찰하여 내부 열재순환 효과를 규명하고 예열용 다공성 블럭(preheating porous block)과 복사 차폐용 다공성 블럭(radiative insulating porous block)의 효 과에 대한 연구와 초희박 혼합기나 저 발열량 연료의 연소 가능성을 제시하고 수치 계 산에 필요한 자료를 제시하는 것이다.