• Bulletin of the Korean Chemical Society
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• 제5권3호
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• pp.112-117
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• 1984

The association constants (K) of 3,5,N-trimethyl pyridinium iodide in 95 volume percent ethanol-water mixed solvent were determined by a modified UV and conductance method at $25^{\circ},\;30{\circ},\;40{\circ}\;and\;50{\circ}C$ over the pressure range 1 to 2000 bars. The association process is enhanced with increasing pressure and decreasing temperature. From K values, we obtained the total partial molar volume change (${\Delta}V$) and some thermodynamic parameters. The electrostriction volume (${\Delta}V_{el}$) and intrinsic volume (${\Delta}V_{in}$) were also evaluated. The values of ${\Delta}V,\;{\Delta}V_{el},\;{\Delta}V_{in}$ are negative, negative and positive, respectively, and the absolute values of all these three decrease with increasing pressure and temperature. The ion-pair size (a) were varied 3 to 6 ${\AA}$, with pressure and temperature. The solvation number (n) decreased from 2 to 0.5 with increasing temperature.

• Bulletin of the Korean Chemical Society
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• 제7권5호
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• pp.391-395
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• 1986

MNDO calculations were carried out to determine reactant complexes and transition states of the $S_N2$ reactions of $CH_3X\;+\;Y^-\;{\to}\;CH_3Y\;+\;X^-$ where X = F, Cl, CN and Y = CN, OH, F, Cl. The leaving group ability was found to vary inversely with the activation barrier, which in turn was mainly ascribable to the deformation energies accompanied with bond stretching of C-X bond and inversion of $CH_3$ group. The nucleophilicity was shown to be in the order $Cl^->F^->OH^->CN^-$ but the effect on the activation barrier was relatively small compared with that of the leaving group. The bond breaking and bond formation indices and energy decomposition analysis showed that the TS for the reaction of $CH_3$Cl occurs in the early stage of the reaction coordinate relative to that of $CH_3$F. It has been shown that the potential energy surface (PES) diagrams approach can only accommodate thermodynamic effects but fails to correlate intrinsic kinetic effects on the TS structure.

• Bulletin of the Korean Chemical Society
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• 제21권11호
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• pp.1085-1089
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• 2000

The effect of 2-hydroxyacetophenone-aroyl hydrazone derivatives on the inhibition of copper corrosion in 3N nitric acid solution at 303 K was investigated by galvanostatic polarization and thermometric techniques. A significant decrease in the cor rosion rate of copper was observed in the presence of the investigated compounds. The corrosion rate was found to depend on the nature and concentrations of the inhibitors. The degree of surface coverage of the adsorbed inhibitors is determined from polarization measurements, and it was found that the results obey the Frumkin adsorption isotherm. The inhibitors acted as mixed-type inhibitors, but the cathode is more polarized. The relative inhibitive efficiency of these compounds has been explained on the basis of structure dependent electron donor properties of the inhibitors and the nature of the metal-inhibitor interaction at the surface. Also, some thermodynamic data for the adsorption process ( ΔGa* and f ) are calculated and discussed.

• 한국추진공학회:학술대회논문집
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• 한국추진공학회 2008년 영문 학술대회
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• pp.413-418
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• 2008

Flow instability in the rocket turbo pump system can be caused by various reasons such as valve, orifice and venturi, etc. The inception of cavitation, especially in the propellant feeding system, is the primary cause of the mass flow and pressure oscillation due to cyclic formation and depletion of cavitation. Meanwhile, the main propellant in liquid rocket engine is the cryogenic one, which is very sensitive to temperature variation, and the variation of propellant properties caused by thermodynamic effect should be accounted for in the flow analysis. The present study focuses on the formation of cryogenic cavitations by adopting IDM model suggested by Shyy and coworkers. Also, the flow instability was investigated in the downstream of orifice by using a developed numerical code. Calculation results show that cryogenic cavitations can lead to flow instability resulting in mass flow fluctuations due to pressure oscillations. And the prediction of cavitations in cryogenic fluid is of vital importance in designing feeding system of LRE.

• Bulletin of the Korean Chemical Society
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• 제6권5호
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• pp.266-269
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• 1985

The dissociation constants(K) of m-chloroanilinium ion in water-ethanol mixture, where the volume percentage of water is 89.5%, were evaluated by UV-spectroscopic method at $20{\sim}50^{\circ}C$, up to 1500 bars with changing ionic strength from 0.04 to 0.10 mol $kg^{-1}$ by use of acetate buffer. K values enhance with increasing ionic strength and temperature, but decrease with elevating pressure. From K values, we obtained the partial molar volume change and some other thermodynamic parameters. From the values of enthalpy, entropy and isoequilibrium temperature (649 K), we concluded that the dissociation of m-chloroanilinium ion mentioned above is controlled by enthalpy.

• Bulletin of the Korean Chemical Society
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• 제13권3호
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• pp.334-336
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• 1992

Through two different techniques TGA and DSC the thermal decomposition processes of salicyaldehyde G-P complexes having the general formula: $$[MCl_2(L)_2]^{2+}$2Cl^-$; where L = salicyaldehyde carbohydrazone pyridinum cation, and M= Fe(III), Co(II), Cu(II) and Zn(II), have been studied. From the obtained thermogravimetric curves the following parameters n, $E_{\alpha}$, A, ${\Delta}S^{\neq}$, ${\Delta}H^{\neq}$ and ${\Delta}G^{\neq}$ were evaluated. The effect of the nature of the metal ions present in the complexes studied upon the calculated thermodynamic parameters was reported. A suitable mechanism for the thermal decomposition process was suggested.

• 대한금속재료학회지
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• 제46권1호
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• pp.20-25
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• 2008

The ionic equilibira in mixed solutions of cuprous and cupric chloride were analyzed by considering chemical equilibria, mass and charge balance equations. The activity coefficients of solutes were calculated by using Bromley equation. Required thermodynamic constants and interaction parameters were evaluated from the data reported in the literature. The effect of NaCl and CuCl concentrations on the pH and potential of the mixed solutions was explained in terms of the variation in the concentration of solutes and in the activity of hydrogen ion. The calculated pH values of the mixed solutions agreed well with the measured values. However, the calculated values for the potential of the mixed solutions were lower than the measured values, indicating the necessity of considering the complex formation between cuprous and chloride ion, such as $Cu^2Cl{_4}^{2-}$ and $Cu_3Cl{_6}^{3-}$.

• 대한설비공학회지:설비저널
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• 제15권4호
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• pp.356-361
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• 1986

An optimum design condition for a basic refrigeration cycle is defined as the condition which minimizes the total cost of heat exchanges (condenser and evaporator) and compressor for the refrigeration effect. Thermodynamic properties of ammonia (R717) are approximated by rational functions in order to obtain the optimum condition for a basic refrigeration cycle. Optimum condition depends on the heat capacity rates (mass flow rate times specific heat) of cooling water and brine used in condenser and evaporator. The difference between the cooling water temperature and condensation temperature at the optimum condition increases as the heat capacity rates and the coat of heat exchangers relative to the cost of compressor increase. Numerical examples of optimum conditions are obtained when the condensation temperature is $30^{\circ}C$ and the evaporator temperature is $-10^{\circ}C$.

• 한국재료학회지
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• 제26권6호
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• pp.325-331
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• 2016

This paper presents a study of the tensile properties of austenitic high-manganese steel specimens with different grain sizes. Although the stacking fault energy, calculated using a modified thermodynamic model, slightly decreased with increasing grain size, it was found to vary in a range of $23.4mJ/m^2$ to $27.1mJ/m^2$. Room-temperature tensile test results indicated that the yield and tensile strengths increased; the ductility also improved as the grain size decreased. The increase in the yield and tensile strengths was primarily attributed to the occurrence of mechanical twinning, as well as to the grain refinement effect. On the other hand, the improvement of the ductility is because the formation of deformation-induced martensite is suppressed in the high-manganese steel specimen with small grain size during tensile testing. The deformation-induced martensite transformation resulting from the increased grain size can be explained by the decrease in stacking fault energy or in shear stress required to generate deformation-induced martensite transformation.

• 대한화학회지
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• 제27권1호
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• pp.9-17
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• 1983

듀렌과 요오드 사이의 전하이동착물의 안정도에 미치는 압력과 온도의 영향을 n-헥산용액에서 자외선 분광 광도법으로 연구하였다. 압력은 1에서 1600bar, 온도는 25, 40, $60^{\circ}C$ 사이에서 측정하였다. 착물의 평형상수는 압력 및 온도의 증가와 더불어 증가 및 감소하고 흡수계수는 대체로 증가함을 알았다. 이들 각 평형상수로부터 착물형성에 따른 부피, 엔탈피, 자유에너지 및 엔트로피 변화량을 구하였다. 또한 압력의 증가에 의한 red-shift, 온도의 증가에 의한 blue-shift 현상 및 압력변화에 의한 진동차 세기의 관계를 열역학적 함수와 관계지워 설명하였다.