• Journal of the Korean Chemical Society
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• v.9 no.4
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• pp.215-221
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• 1965

The significant liquid structure theory is extended to binary mixture, benzene-ethylenechloride system. The partition function, applicable throughout the temperature range in which Raoult's law is satisfied is derived. The thermodynamic quantities such as total and partial pressures, molar volumes and mixing entropies are calculated from the partition function at the temperatures $293.15^{\circ},\;323.14^{\circ}\;and\;357.15^{\circ}K.$ The theoretical values, thus calculated, are found to agree with the experimental data in the literatures.

• Resources Recycling
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• v.12 no.1
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• pp.41-47
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• 2003

In order to improve the hydration resistance of lime in the air at room temperature, carbonation and hydration experiments have been conducted. Carbonation of the surface of lime by about 6 wt％ was needed to suppress the hydration of lime used in steel-making. The effect of recirculation of rotary kiln exhaust gas for the carbonation of lime on the combustion temperature and NOx concentration was analyzed by thermodynamics. From the thermodynamic calculation results, it was frond that the equi-librium combustion temperature and NOx concentration decreased with increasing volume percentage of exhaust gas.

• Journal of the Korean Chemical Society
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• v.19 no.2
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• pp.73-84
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• 1975

The effect of pressures and temperatures on the stabilities of the toluene-iodine charge transfer complex have been investigated through ultraviolet spectrophotometric measurements in n-hexane. The stabilities of complexes were measured at $25~60{\circ}C$ under 1~1,200 bars. The equilibrium constant of the complex was increased with pressure and decreased with temperature raising. The absorption coefficient was increased with both pressure and temperature. Changes of volume, enthalpy, free energy and entropy for the formation of complexes were obtained from the equilibrium constants. The red-shift observed a higher pressure, the blue-shift at a higher temperature and the relation between pressure and oscillator strength were discussed by means of thermodynamic functions.

• The Journal of Natural Sciences
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• v.1
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• pp.33-45
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• 1987

$BaCO_3$ 와 다양한 입자크기의 $TiO_2$ 의 고체상태 반응을 산소 ( 혹은 공기 ) 와 이산화탄소 중에서 열중량 분석법 (TG) 과 시차 열분석법 (DTA) 를 이용하여 반응속도론 및 반응기구를 조사하였다. 중간생성물과 최종생성물의 확인은 X-ray 회절 분석법 (XRD) 을 이용하였다. $TiO_2$ 의 반응성은 입자의 크기가 $0.15\mum$이하일 때 현저히 증가하였다. 반응초기에 $BaTiO_3$ 는 반응물의 접촉표면에서 생기기 시작하며 반응의 진행과정은 Jander 에 따라 확산조절과정이 된다. 반응과정에서 BaO-$TiO_2$ 의 상평형도에 기술된 화합물들이 중간물질로써 나타난다. 공기중에서는 상당한 양의 $Ba_2$$TiO_4$ 가 생성되지만 $CO_2$ 의 분위기에서는 약 $1100^{\circ}C$까지 억제된다. 이 온도는 열역학적 계산치인 $1060\pm$ $50^{\circ}C$와 잘 일치하고 있다. 확산과정의 활성화 에너지 값은 공기중에서는 56.4Kcal/mol 이었으며 이산화탄소의 경우에서는 79.6Kacl/mol 이었다.

• Applied Chemistry for Engineering
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• v.10 no.5
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• pp.718-725
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• 1999

In order to investigate the interaction characteristics of poly(dimethylsiloxane) (PDMS) with various solvents such as water, ethanol, and iso-propanol, Inverse Gas Chromatography(IGC) at finite concentration, which is a very fast, accurate, and thus promising technique in thermodynamic study of polymer systems, is employed. By measuring the specific retention volumes of the probes, the interaction parameters are calculated by means of the Flory-Huggins equation. From the results, the interaction parameters of the probes are, as expected due to the hydrophobicity of the polymer, found to be of large positive values (2$2.0{\times}10^{-3}mol/g$. For the linear PDMS, interpretation of the space distribution of molecules is performed by the Kirkwood-Buff-Zimm(KBZ) integrals, which give intuitive information about physical properties. From the KBZ integrals, water does not show the tendency of preferential solvation with the PDMS but formed self-cluster. The larger solvent molecules show a stronger tendency to distribute more randomly in the mixture.

• Applied Chemistry for Engineering
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• v.9 no.7
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• pp.968-973
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• 1998

The critical micelle concentrations($CMC^*$) of the mixed surfactant systems of cationic surfactant cetylpyridinium chloride(CPC) and nonionic surfactant Triton X-100(TX-100) in aqueous solutions of salts(KCl and $Na_2CO_3$) and isomeric butanols(tert-butanol, iso-butanol and n-butanol) were determined by UV spectroscopy method. The various thermodynamic values in aqueous solutions of salts and isomeric butanols were compared with the values in pure water, calculated by means of the equation derived from the pseudo-phase separation model. Thermodynamic parameters($X_1$, $\beta$, ${\gamma}i$, $ai^M$, $C_i$ and ${\Delta}H_{mix}$) were found to have great effects of salts and isomeric butanols on the mixed micellization of CPC/TX-100 mixtures, and also in good agreements with the nonideal mixed micelle model. They showed all negative deviations from the ideal mixed micellar behavior.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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• v.18 no.2
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• pp.207-215
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• 2020

The feasibility of rare earth (RE) removal process via oxidation reactions with UCl₃ was investigated using the HSC Chemistry code to reduce the concentrations of RE in transuranic (TRU) products. The composition and thermodynamic data of TRU and RE elements contained in the reference spent fuel were examined. The reactivity was evaluated by calculating equilibrium data considering oxidation reactions with UCl₃. Both RE removal rate and TRU recovery rate were evaluated for the two cases, wherein TRU products with different RE concentrations were used. When TRU products were reacted with UCl₃, selective oxidation was driven by the difference in the Gibbs free energy of each element. The calculation results imply that the TRU/RE ratio of the final product can be increased by removing RE elements while maintaining the maximum recovery rate of TRU, which is accomplished by controlling the amount of UCl₃ injected. Since the results of this study are based on thermodynamic equilibrium data, there are many limitations to apply to the actual process. However, it is expected to be used as an important data for the process design to supply the TRU product of pyroprocessing to SFR's fuel demanding low RE concentrations.

• Korean Chemical Engineering Research
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• v.55 no.6
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• pp.807-815
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• 2017

This study investigated the removal efficiency of residual pentane from paclitaxel according to the drying temperature in the case of rotary evaporation, and performed a kinetic and thermodynamic analysis of the drying process. At all the temperatures (25, 30, 35, 40, and $45^{\circ}C$), a large amount of the residual solvent was initially removed during the drying, and the drying efficiency increased when increasing the drying temperature. Five drying models (Newton, Page, modified Page, Henderson and Pabis, Geometric) were then used for the kinetic analysis, where the Henderson and Pabis model showed the highest coefficient of determination ($r^2$) and lowest root mean square deviation (RMSD), indicating that these models were the most suitable. Furthermore, in the thermodynamic analysis of the rotary evaporation, the activation energy ($E_a$) was 4.9815 kJ/mol and the standard Gibbs free energy change (${\Delta}G^0$) was negative, whereas the standard enthalpy change (${\Delta}H^0$) and standard entropy change (${\Delta}S^0$) were both positive, indicating that the drying process was spontaneous, endothermic, and irreversible.

• Membrane Journal
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• v.12 no.2
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• pp.75-89
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• 2002

The effect of addition of inorganic salts in polyethersulfone (PES) polymer solution on the membrane formation and ultrafiltartion performance was studied through the thermodynamic and kinetic properties of casting solution. To control the thermodynamic and kinetic properties of casting solution, various inorganic salts $[CaC1_2, LiCl, LiClO_4, ZnC1_2 $and Mg(ClO_4)_2]$ were added in the PES/NMP solution. Variation of membrane morphology and performance of the resulting membranes with change of the salt type and content added in tasting solution were discussed using viscosity, coagulation value, light transmittance measurement, overall membrane porosity, ultrafiltration experiment and cross-sectional SEM image. For all kind of inorganic salts, according as increase of the salt content in casting solution, viscosity is increased, coagulation value becomes lower, top layer thickness below the skin surface is increased, bovine serum albumin(BSA) rejection decreased and pure water flux is increased except $CaC1_2$ and LiCl. In case of $CaC1_2$ and LiCl, it is found that when the salt content is increased, the formation of macrovoids is suppressed and the precipitation rate becomes slow while instantaneous demixing of precipitation type is maintained. However, in case of $LiClO_4$ and $Mg(ClO_4)_2,$ it is found that precipitation rate becomes faster.

• Journal of the Korean Chemical Society
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• v.56 no.2
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• pp.188-194
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• 2012

The interaction of 4-alkylbenzoic acid isomers with the micellar system of TTAB (tetradecyltrimethylammonium bromide) was studied by the UV/Vis spectrophotometric method. The solubilization constants ($K_s$) of 4-alkylbenzoic acid isomers into the TTAB micellar system and the critical micelle concentration (CMC) of TTAB have been measured with the change of temperature. Various thermodynamic parameters have been calculated and analyzed from those measurements. The results show that the values of ${\Delta}G^o{_s}$ for the solubilization of all the isomers are negative and the values of ${\Delta}H^o{_s}$ and ${\Delta}S^o{_s}$ are all positive within the measured temperature range. The effects of additives (n-butanol and NaCl) on the solubilization of 4-alkylbenzoic acid isomers have been also measured. There was a great change on the values of $K_s$ and CMC simultaneously with these additives. From these changes we can postulate that the solubilization sites of 4-alkylbenzoic acids are the core or deep palisade region of the TTAB micelle.