• 분석과학
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• 제20권5호
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• pp.406-412
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• 2007

분광 광도법을 이용하여 ${\beta}$-CD와 $[Cu(dien)(sub-py)]^{2+}$ 이온 간의 복합체 형성에 관한 연구를 하였다. ${\beta}$-CD와 $Cu^{2+}$ 착물이 복합체를 형성 할 때 ${\gamma}_{max}$은 리간드에 전자 주는기($CH_3$)가 치환 된 경우는 $^2T_2{\rightarrow}^2E$로 한 곳에서, 전자 끄는기(Cl)가 치환된 경우는 $^2T_2{\rightarrow}^2E$와 MLCT에 의하여 두 곳에서 나타났다. 형성상수는 온도가 올라가면 결합에너지의 감소로 작아졌다. 모든 반응은 엔트로피의 감소를 보였으나 큰 발열반응으로 자발적 반응이었다. 치환기 상수(${\sigma}_x$)에 따른 Hammett plot 결과 좋은 직선성(${\gamma}=0.996$)을 보여 형성상수를 정량적으로 설명할 수 있었다.

• Bulletin of the Korean Chemical Society
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• 제6권2호
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• pp.74-79
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• 1985

The stabilities of the charge transfer complexes of pentamethyl benzene with iodine in n-hexane have been investigated by UV-spectrophotometric measurements at 25, 40 and 60$^{\circ}C$ up to 1600 bars. The equilibrium constant of the complex formation was increased with pressure while being decreased with temperature raising. Changes of volume, enthalpy, free energy and entropy for the formation of the complexes were obtained from the equilibrium constants. The red-shift at higher pressure, the blue-shift at higher temperature, and the relation between pressure and oscillator strength have been discussed by means of thermodynamic functions. In comparison with the results in the previous studies, the absolute values of ${\Delta}$V at each temperature were increased with the number of methyl groups of polymethyl benzene. However, it can be seen that both ${\Delta}$H and ${\Delta}$S show extreme behaviors in durene near atmospheric pressure but they are negatively increased with the number of methyl groups near 1600 bar. This order of the thermodynamic parameters may be a measure of the relative basicities of polymethyl benzenes toward iodine under each pressure, and these phenomena are explained in terms of a positive inductive effect and a steric hindrance effect of the polymethyl benzene molecule.

• 대한화학회지
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• 제27권2호
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• pp.102-110
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• 1983

벤젠과 요오드 사이의 전하이동착물의 안정도에 미치는 압력과 온도의 영향을 n-헥산 용매내에서 자외선 분광 광도법으로 연구하였다. 압력은 1에서 1600 bar, 온도는 25, 40, $60^{\circ}C$에서 측정하였다. 착물 형성에 대한 평형상수는 압력이 증가함에 따라 증가하고, 온도가 상승함에 따라 감소하였으며 착물의 흡수계수는 압력 및 온도와 함께 같이 증가함을 알았다. 이들 각 평형상수로 부터 착물 형성에 따른 부피, 엔탈피, 자유에너지 및 엔트로피 변화양을 구하였다. 또한 압력의 증가에 의한 red-shift, 온도의 상승에 의한 blue-shift 현상 및 압력 변화에 의한 진동자 세기의 관계를 열역학 함수와 관계지워 설명하였다.

• 대한화학회지
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• 제19권2호
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• pp.73-84
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• 1975

톨루엔과 요오드 사이의 전하이동착물의 안정도에 미치는 압력과 온도의 영향을 n-헥산용액에서 자외선 분광광도법으로 연구하였다. 압력은 1에서 1,200bar, 온도는 $25^{\circ}C$에서 $60^{\circ}C 사이에서 측정하였다. 착물의 평형상수는 압력 및 온도의 증가와 더불어 증가 및 감소하고 흡수계는 대체로 증가함을 알았다. 이들 각 평형정수로부터 착물 형성에 따른 부피, 엔탈피, 자유에너지 및 엔트로피 변화 양을 구하였다. 또한 압력의 증가에 의한 blue-shift현상 및 압력 변화에 의한 진동자 세기와의 관계를 열역학적 함수와 관계지워 설명하였다

• Journal of Mechanical Science and Technology
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• 제15권1호
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• pp.88-97
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• 2001

The present study numerically investigates the fuel-air mixing characteristics, flame structure, and pollutant emission inside a double-swirler combustor. A PSR(Perfectly Stirred Reactor) based microstructural model is employed to account for the effects of finite rate chemistry on the flame structure and NO formation. The turbulent combustion model is extended to nonadiabatic flame condition with radiation by introducing an enthalpy variable, and the radiative heat loss is calculated by a local, geometry-independent model. The effects of turbulent fluctuation are taken into account by the joint assumed PDFs. Numerical model is based on the non-orthogonal body-fitted coordinate system and the pressure/velocity coupling is handled by PISO algorithm in context with the finite volume formulation. The present PSR-based turbulent combustion model has been applied to analyze the highly intense turbulent nonpremixed flame field in the double swirler combustor. The detailed discussions were made for the flow structure, combustion effects on flow structure, flame structure, and emission characteristics in the highly intense turbulent swirling flame of the double swirler burner.

• 대한기계학회논문집
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• 제16권6호
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• pp.1205-1215
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• 1992

본 연구에서는 1차원 상변화문제를 확장하여 사각형 주형내에서의 접촉열저항 을 고려한 2차원 상변화문제를 해석하고자 한다.즉 고상/액상 경계면인 상변화면을 추적하기 위하여 온도수식법(temperature formulation method)을 적용시 나타나는 복 잡성을 극복하기 위하여 제시된 엔탈피법을 이용하여 순수물질의 경우 뿐만 아니라 2상영역이 존재하는 합금에서의 온도분포, 상변화면의 이동속도 및 총응고에 소요되는 시간등의 열적특성을 해석하며, 또한 이러한 열적특성에 영향을 미치는 매개변수를 도출하고자 주형의 형상, 주형 외벽에서의 열전달계수, 접촉 열전달계수, 주형의 열전 도계수 및 주물의 초기온도등의 변화에 따른 효과를 고찰한다.

• 분석과학
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• 제11권3호
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• pp.156-160
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• 1998

다양한 탄소재와 Si를 함유하는 화합물로부터 SiC를 합성하였고, XRD 분석으로부터 구조적 특성 연구와 DSC 분석에 의한 열역학적 연구를 통하여 졸-겔법과 carbothermal 반응법을 비교연구하였다. 졸-겔법보다는 carbothermal 반응법에 의한 합성이 SiC의 형성을 뚜렷하게 하였다. X-선 회절결과로부터 여러가지 탄소재의 SiC 형성 정도는 두 방법 모두 석유 코크스, 활성탄, 인조흑연의 순으로 증가함을 알 수 있었다. 그리고 DSC 분석결과로부터 발열반응에 대한 엔탈피 변화량은 carbothermal 반응법의 경우 활성탄, 석유 코크스, 인조흑연의 순으로 감소하였고, 흡열반응에 대한 변화량은 역순으로 증가하였다. 그러나 졸-겔법의 경우 발열반응에 대한 엔탈피 변화량은 석유 코크스, 활성탄, 인조흑연의 순으로 감소하였다.

• Advances in nano research
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• 제13권2호
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• pp.121-134
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• 2022

Emerge of nanotechnology impacts all aspects of humans' life. One of important aspects of the nanotechnology and nanoparticles (NPs) is in the food production industry. The safety of such foods is not well recognized and producing safe foods using nanoparticles involves delicate experiments. In this study, we aim to incorporate intelligent computer simulation in predicting safety degree of nanofoods. In this regard, the safety concerns on the nano-foods are addressed considering cytotoxicity levels in metal oxides nanoparticles using adaptive neuro-fuzzy inference system (ANFIS) and response surface method (RSM). Three descriptors including chemical bond length, lattice energy and enthalpy of formation gaseous cation of 15 selected NPs are examined to find their influence on the cytotoxicity of NPs. The most effective descriptor is selected using RSM method and dependency of the toxicity of these NPs on the descriptors are presented in 2D and 3D graphs obtained using ANFIS technique. A comprehensive parameters study is conducted to observe effects of different descriptors on cytotoxicity of NPs. The results indicated that combinations of descriptors have the most effects on the cytotoxicity.

• Environmental Analysis Health and Toxicology
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• 제12권3_4호
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• pp.75-84
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• 1997

Chromatographic retention behavior and separation of various phenol derivatives on a Partisil 10 ODS 3 column-with mobile phase containing $\alpha$-cyclodextrin-were systematically studied. The decrease in k' values caused by the addition of cyclodextrins in the mobile phase was based on the formation of an inclusion complex, resulting in weakening of the hydrophobic interaction between solutes and the stationary phase. The content of the organic solvent in the mobile phase also influenced k' values of the solutes, and k' values increased with a decrease of the content of organic solvent in the mobile phase. A simple equation has been derived that reveals the hyperbolic dependence of the capacity factor on the total concentration of cyclodextrin. A plot of the reciprocal of the capacity factor against (CD)$_T$ gives a straight line and the dissociation constant, K$_D$, of the inclusion complex can be calculated from the slope. The capacity factor decreased with increasing temperature. The enthalpy was calculated from the slope of van't Hoff plots. Under optimum conditions, some mixtures of phenol derivatives were able to separated successfully.

• Bulletin of the Korean Chemical Society
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• 제6권1호
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• pp.37-40
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• 1985

The electrical conductance and UV absorbance of 4,N-dimethyl Pridinium Iodide (NDMPI) were measured in the ethanol volume percentage, 95, 90, 80 and 60 of an ethanol-water mixture at 15, 25, 35 and $45^{\circ}C$. Ionic association constants(K) of NDMPI were evaluated in accordance with a combined method of conductance UV absorbance. The ion size parameter (${\gamma}_{\pm}$) and dipole momemt (${\mu}_{A+D-}$) of NDMPI were obtained from the values of K and dielectric constant. The ${\mu}_{A+D-}$- values were in good agreement with the values of transition moment(${\mu}_{mn}$) which is calculated form the UV peak values. The large negative values of the electrical enthalpy (${\Delta}H_{el}^{\circ}$) and entropy (${\Delta}H_{el}^{\circ}$ ) have proved that NDMPI had a positive hydration. The positive values of entropy (${\Delta}S^{\circ}$) means the formation of NDMPI ion goes with dehydration.