• Bulletin of the Korean Chemical Society
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• 제16권5호
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• pp.432-436
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• 1995

The solubility of caffeine in compressed carbon dioxide has been measured to determine its fugacity coefficient between 330 and 410 K up to 500 bar. The result allows the calculation of the thermodynamic excess functions such as the molar excess enthalpy, the molar excess free energy, and the molar excess entropy. The pressure variations of the molar excess functions of caffeine in the caffeine-CO2 mixture were discussed and also compared them with those in the caffeine-NH3 mixture.

• 한국진공학회지
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• 제3권2호
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• pp.198-202
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• 1994

Zn0.5Mg0.5Te 및 Zn0.5Mg0.5Te:Co 단결정을 온도진동법을 응용한 화학수송법으로 성장시켰고, 광 학적 energy gap의 온도의존성은 Varshni의형식에 잘 적용되었다. 광학적 energy gap의 온도의존성으 로부터 열역학 기본함수인 entropy, enthalpy, heat capacity를 구했다.

• 약학회지
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• 제14권1_2호
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• pp.36-43
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• 1970

Imidazole및 유사화합물과 천이원소간의 착염형성은 생화학적으로도 중요한 문제다. 본 논문은 Cd, Ni, Mn, Co등과 착염형성을 polarograph법으로 구명하였으며 착염형성 상수는 deford및 Hume의 수학적방법을 적용하여 계산하였다. 착염형성에서의 enthalpy 변화, .DELTA.H$^{.deg.}$ , 및 entropy변화, .DELTA.S$^{.deg.}$ 를 25.deg.C와 35.deg.C의 실험에서 얻은 결과로부터 구하였다.

• Bulletin of the Korean Chemical Society
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• 제8권1호
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• pp.31-39
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• 1987

By using a complete rate constant($k_e$) which treats a solvent (water) as a reactant, and a conventional rate constant($k_c$), which ignores the solvent in describing the rate, the parameters ${\Delta}V^{\neq}_s,\;{\Delta}H^{\neq}_s\;and\;{\Delta}S^{\neq}_s$ were introduced. These quantities represent the volume change, the enthalpy change, and the entropy change accompanying the electrostriction which occurs when solvent molecules condense on the activated complex. The authors measured the rates of the solvolysis of benzoyl chloride in water-acetone mixtures at $15^{\circ}$ to $30^{\circ}C$ and 1 bar to 2500 bars. Applying the authors' theory to the experimental results, the parameters, ${\Delta}V^{\neq}_s,\;{\Delta}H^{\neq}_s\;and\;{\Delta}S^{\neq}_s$ were evaluated, and it was found that they are all negative, indicating that water dipoles condense on the activated complex. They also proposed the following equations: ${\Delta}H^{\neq}_c\;=\;{\Delta}H^{\neq}_e\;+\;{\Delta}H^{\neq}_s\;and\; {\Delta}S^{\neq}_c\;=\;{\Delta}S^{\neq}_e\;+{\Delta}S^{\neq}_s\;,\;where\;{\Delta}H^{\neq}_c\;and\;{\Delta}H^{\neq}_c\;and\;{\Delta}S^{\neq}_s $are the activation enthalpy change and the activation entropy change for the conventional reaction rate, respectively, and ${\Delta}H^{\neq}_e$ and ${\Delta}S^{\neq}_e$ are the corresponding quantities for the complete reaction rate. The authors proposed that for the $SN_1$ type, all the quantities, ${\Delta}V^{\neq}_s,\;{\Delta}S^{\neq}_s\;,{\Delta}H^{\neq}_s\;and\;{\Delta}S^{\neq}_s$ are comparatively large, and for the $SN_2$ type, these quantities are smaller than for the $SN_1$ type, and occasionally the case ${\Delta}S^{\neq}_e$ < 0 occurs. Using these criteria, the authors concluded that at high temperature, high pressure and for a high water content solvent, the SN_1$ type mechanism predominates whereas in the reversed case the $SN_2$M type predominates.

• Corrosion Science and Technology
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• 제21권5호
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• pp.381-389
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• 2022

Cyclic Voltammetry and weight loss measurements were used to investigate corrosion prevention of tin in a 0.5M citric acid solution containing Anthocyanins extracted from grapes at various concentrations and temperatures. Results showed that the investigated chemicals, Anthocyanins extracted from grapes, performed well as tin corrosion inhibitors in 0.5M citric acid. Increasing the concentration of Anthocyanins increased their corrosion inhibition efficiencies. When the temperature dropped, their inhibition efficiencies, increased indicating that higher temperature tin dissolution predominated the adsorption of Anthocyanins at the surface of tin metal. When inhibitor concentrations were increased, their inhibition efficiencies were also increased. These results revealed that corrosion of tin metal was inhibited by a mixed type of adsorption on the metal surface. The adsorption isotherm of Langmuir governed the adsorption of Anthocyanins. Thermodynamic parameters such as the enthalpy of adsorption, the entropy of adsorption, and Gibbs free energy and kinetic parameters such as activation energy, enthalpy of activation, and entropy of activation were computed and discussed in this study.

• Bulletin of the Korean Chemical Society
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• 제26권8호
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• pp.1246-1250
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• 2005

We have evaluated the hydroxyl group-solvent specific interactions by using a Lichrosorb RP18 stationary phase and by measuring the retention data of carefully selected solutes in 50/50, 60/40, 70/30, 80/20, and 90/10(v/v%) methanol/water eluents at 25, 30, 35, 40, 45, and 50 ${^{\circ}C}$. The selected solutes are 3 positional isomers of phenylpropanol, that is, 1-phenyl-1-propanol, 1-phenyl-2-propanol, and 3-phenyl-1-propanol. There exist clear discrepancies in ${\Delta}H^o$ (solute transfer enthalpy from the mobile to the stationary phase) and $T{\Delta}S^o$ (solute transfer entropy) among positional isomers. The difference in ${\Delta}H^o$ and $T{\Delta}S^o$ between secondary alcohols (1-phenyl-1-propanol and 1-phenyl-2-propanol)is negligible compared to the difference between the primary alcohol (1-phenyl-3-propanol) and secondary alcohols. The $T{\Delta}S^o$ values of 3-phenyl-1-propanol are close to those of butylbenzene while the $T{\Delta}S^o$ values of secondary alcohols are close to those of propylbenzene. The difference in ${\Delta}{\Delta}H^o$ (specific solute-mobile phase interaction enthalpy) between the primary alcohol and the secondary alcohol decreases with increase of methanol content in the mobile phase. A unique observation is an extremum for 1-phenyl-3-propanol in the plot of $T{\Delta}{\Delta}S^o$ vs. methanol volume %. The positive sign of $T{\Delta}{\Delta}S^o$ of 3-phenyl-1-propanol implies that the entropy of 3-phenyl-1-propanol is greater than that of the hypothetical alkylbenzene (the same size and shape as phenylpropanol) in the mobile phase.

• 한국과학교육학회지
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• 제26권7호
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• pp.805-812
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• 2006

본 연구에서는 끓는점 오름에 대한 고등학교 화학 교과서의 기술 양식과 고등학생, 예비교사, 고등학교 화학교사의 이해에 대하여 조사하였다. 6차와 7차 교육과정에 근거하여 개발된 고등학교 화학 II 교과서를 분석하였고 고등학생과 예비교사, 화학교사의 개념은 설문지를 통해 얻었다. 끓는점 오름의 원인에 대한 교과서의 설명 유형은 '표면의 용매 입자수의 감소', '용매-용질간의 인력', 그리고 '표면 입자수의 감소와 용매-용질간의 인력'등의 세 가지 유형으로 분석되었다. 개념조사 결과 '용매-용질간의 인력'을 끓는점 오름의 원인으로 인식하는 학생과 예비교사, 화학교사의 비율이 높았다. 대상자들은 끓는점 오름을 설명하기 위하여 엔트로피 개념보다 엔탈피 개념을 선호하는 경향이 있었고, 그 원인을 분석하기 위하여 사후 인터뷰를 실시하였다.

• 한국정보통신학회논문지
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• 제10권3호
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• pp.459-466
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• 2006

열성능 평가를 위한 수치해석에서는 온도, 압력, 건도, 체적, 엔탈피, 엔트로피 등의 열역학적 성질들의 수치값이 필요하다. 그러나 이러한 성질들을 포함하고 있는 증기표를 그대로 사용할 수 없기 때문에, 효과적으로 모델링하여야 한다. 이러한 관점에서 함수근사 특성을 가진 신경회로망을 하나의 대안으로 검토하였다. 신경 회로망은 포화증기 영역과 과열증기 영역에 대해서 따로 구성하였다. 포화증기 영역에 대해서는 하나의 입력으로 7개의 출력을 얻을 수 있도록 하였으며, 각각 10개와 20개의 노드를 가진 은닉층을 구성 하였다. 과열증기 영역에 대해서는 2개의 입력으로 3개의 출력을 얻을 수 있도록 하였으며, 각각 15개와 25개의 노드를 가진 은닉층을 구성하였다. 제안된 모델은 온도, 엔탈피, 엔트로피의 백분율오차가 대부분 ${\pm}0.005%$, 압력이나 비체적의 백분율오차도 대부분 ${\pm}0.025%$ 범위 내로 수렴시킬 수 있었다. 이 성공적인 결과로부터 증기 표를 함수근사하는데 있어서 신경회로망이 아주 강력한 수단이 될 수 있음을 확인할 수 있었다.

• 분석과학
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• 제11권2호
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• pp.92-95
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• 1998

변형된 two-bulb pyrex관을 사용하여 K-SGICs(인조흑연 층간화합물)를 합성하였다. 흑연과 칼륨을 반응시키기 위하여 two-bulb관내에 압력을 $10^{-3}$ torr로 유지하여 주었다. 변형된 방법에 의하여 얻어진 K-SGICs는 유동 파라핀 내에서 $25{\sim}1400^{\circ}C$ 사이에서 열처리하여 deintercalation을 시켰다. K-SGICs의 온도 의존성과 열적 안정성을 DSC 분석기에 의하여 특성화하였다. K-SGIC의 엔탈피와 엔트로피 형성은 여러 온도에 의존하는 열역학적 발열반응과 deintercalation을 확인하여 계산하였다. 칼륨이온의 deintercalation 반응이 얼어나는 동안 K-SGICs 의 구조변이와 열적 안정성을 XRD에 의하여 확인하였다.

• 한국염색가공학회지
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• 제12권1호
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• pp.52-60
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• 2000

In the prior studies, we reported that the dye uptakes of C. I. Disperse Violet 1 on polyester fiber in hexane and cyclohexane were higher than those in the other solvents, as the number of carbon atoms of alkanes decreased, the dye uptake increased, and the logarithmic plot of the dye uptakes vs. the solubilities of the dye showed that the dye uptakes are inversely proportional to the solubilities. In this study, for Interpretation of dyeing behavior of C. I. Disperse Violet 1 on polyester in alkanes, the thremodynamic parameters of dyeing, such as standard affnity, heat of dyeing(enthalpy change), entropy change, diffusion coefficient, and activation energy of diffusion, were obtained from isotherms and dyeing rates at different temperature. As the number of carbon atoms of alkanes increased, the standard affinity decreased, but the heat of dyeing(enthalpy change) and the entropy change showed larger negative values. These results mean that as the number of carbon atoms of alkanes increases, the dye uptake decreases, but both the fraction of the dye molecules dyed at relatively highly aligned or compact region of polyester fiber and the regularity of dye aggregates in the fiber become increased. As the number of carbon atoms of alkanes increased, the diffusion coefficient decreased, but the activation energy of diffusion increased. In the alkane of larger number of carbon atoms, because the solubility of the dye is higher, the desorption rate of the dye is faster and the diffusion coefficient is smaller than those in the smaller alkanes. But the energy required to separate the dye molecules from the alkane molecules is much higher because the interaction between the alkane molecule and the dye molecule become strong with the number of carbon atoms.