• Journal of the Korean Chemical Society
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• v.35 no.4
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• pp.362-367
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• 1991

Rates of nucleophilic substitution reaction ([Pd (ONN) Cl] + Y$^-\;{\rightleftharpoons}$ [Pd (ONN)Y] + Cl$^-$ ; Y = SCN$^-$, CN$^-$, N$_3^-$, imidazole, pyridine) have been measured in methanol by spectrophotometric method at various temperatures. A set of nucleophilic reactivity constants, n$_{Pd}^{\circ}$ has been calculated. These values show an order of nucleophilicity CN$^-$ > SCN$^-$ > N$_3^-$ > Imidazole > Pyridine. The enthalpy of activation are small positive values and the entropy of activation are large negative values. From these results, it can be inferred that the nucleophilic substitution reaction proceeds through an associative (A) mechanism.

• Journal of the Korean Chemical Society
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• v.40 no.5
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• pp.327-332
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• 1996

The rates of solvolylsis of methyl chloroformate, phenyl chloroformate and 1-adamantyl derivatives in binary solvent mixtures have been measured by conductometric method at various temperatures and pressures. The activation parameters were estimated from the rate constants. The activation volume (${\Delta}V_o^{\neq}$) and the activation entropy (${\Delta}S^{\neq}$) are both negative, but the activation enthalpy (${\Delta}H^{\neq}$) is positive. This behavior is discussed in terms of electrostriction of solvation. The reactivities of these reactions were also estimated from the correlation of the activation volumes with the activation entropies. From these results, it could be estimated that the solvolyses of 1-adamantyl fluoroformate (in aqueous TFE) and 1-adamantyl tosylate have pathway involving unimolecular reaction, while the reaction of methyl chloroformate, phenyl chloroformate and 1-adamantyl fluoroformate (in aqueous alcohol) proceed through a bimolecular reaction.

• Korean Chemical Engineering Research
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• v.53 no.3
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• pp.309-314
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• 2015

Adsorption of brilliant blue FCF dye from aqueous solution using coconut shell based activated carbon was investigated. Batch experiments were carried out as function of adsorbent dose, initial concentration, contact time and temperature. The equilibrium adsorption data were analyzed by Langmuir and Freundlich model. The results indicate that Freundlich model provides the best correlation of the experimental data. Base on the estimated Freundlich constant (1/n=0.129~0.212), this process could be employed as effective treatment method. Adsorption kinetics experimental data were modeled using the pseudo-first-order and pseudo-second-order kinetic equation. It was shown that pseudo-second-order kinetic equation could best describe the adsorption kinetics. Base on the negative Gibbs free energy value (-4.81~-10.33 kJ/mol) and positive enthalpy value (+78.59 kJ/mol) indicate that the adsorption is spontaneous and endothermic process.

• Journal of the Korean Chemical Society
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• v.24 no.2
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• pp.150-154
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• 1980

Kinetic studies of the reaction of benzyl benzenesulfonate with pyridine in acetone were carried out by the electric conductivity method under 1 to 2000 bars and at 20 to $40^{\circ}C$. The rate increases with increasing pressure and temperature. The activation enthalpy $({\Delta}H^{\neq}),\;entropy\;({\Delta}S^{\neq})$ and activation volume $({\Delta}V^{\neq})$ of the reaction are obtained by the above experiment. The isokinetic relationship between $({\Delta}H^{\neq})\;and\;({\Delta}S^{\neq})$ for pressure change in the reaction was shown, and its isokinetic temperature was $342^{\circ}K$. From all of the above results it was found that this reaction precedes on the $S_N2$ reaction mechanism in which the rate of the reaction was determined by $C{\cdots}N$ bond formation at transition state.

• Journal of the Korean Chemical Society
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• v.42 no.4
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• pp.383-390
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• 1998

The interaction of phenoxide anion with several cationic surfactant micelles (DTAB, TTAB, CTAB, CDEAB, and CTAC) was studied by UV/Vis spectrophotometric method. The solubilization constants of phenoxide anion into the cationic micellar phase and the critical micelle concentration of these surfactants in the presence of the phenoxide anion could be determined from the absorbance changes. The measured solubilization constants were changed according to the following order: $K_s(CTAC)>K_s(CDEAB)>K_s(CTAB)>K_s(TTAB)>K_s(DTAB).$ Effects of salts(NaCl and NaBr) and n-alcohols(butanol, pentanol, and hexanol) on the solubilization of phenoxide anion by the TTAB system have been also measured and analyzed. There was a great decrease of solubilization constant and CMC with these additives. The standard Gibbs free energy, enthalpy, and entropy changes for the solubilization of phenoxide anion by the TTAB system were calculated from the temperature dependence of $K_s$ values.

• Korean Journal of Food Science and Technology
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• v.35 no.2
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• pp.211-216
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• 2003

Absorption characteristics of hot air-. vacuum-, and freeze-dried ginger powder were investigated. Monolayer moisture content as determined by GAB equation was $0.257{\sim}0.540\;H_2O/g$, showing higher significance than BET equation. Absorption enthalpy was calculated based on different drying methods and water activities. Absorption energy decreased with increasing water activity but was not affected by drying method. Isotherm curves showed a typical sigmoid form. Among models applied for predicting equilibrium moisture content, Caurie model was the best fit model for ginger powder, showing the lowest prediction deviation of $1.2{\sim}5.4%$, followed by Henderson then Bradley models. The prediction model equations for the moisture content were established by in(time), water activity, and temperature.

• Korean Chemical Engineering Research
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• v.54 no.2
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• pp.255-261
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• 2016

Adsorption experiments of Acid Yellow 14 dye using activated carbon were carried out as function of adsorbent dose, pH, initial concentration, contact time and temperature. The equilibrium adsorption data were analyzed by Langmuir, Freundlich and Temkin isotherm model. The experimental data were best represented by Freundlich isotherm model. Base on the estimated Freundlich constant (1/n=0.129~0.212) and Langmuir separation factor ($R_L=0.202{\sim}0.243$), this process could be employed as effective treatment method. The heat of adsorption of Temkin isotherm model was 5.101~9.164 J/mol indicated that the adsorption process followed a physical adsorption. Adsorption kinetics experimental data were modeled using the pseudo-first-order and pseudo-second-order kinetic equation. It was shown that pseudo-second-order kinetic equation could best describe the adsorption kinetics. Base on the negative Gibbs free energy (-4.81~-10.33 kJ/mol) and positive enthalpy (+78.59 kJ/mol) indicate that the adsorption is spontaneous and endothermic process.

• Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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• v.9 no.2
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• pp.677-680
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• 2005

In numerical analysis on the thermal performance of the heat exchanger with phase change fluids, the numerical values of thermodynamic properties are needed. But the steam table should be modeled properly as the direct use of thermodynamic properties of the steam table is impossible. In this study the function approximation characteristics of neural networks was used in modeling the saturated vapor region of refrigerant R12. The neural network consists of one input layer with one node, two hidden layers with 10 and 20 nodes each and one output layer with 7 nodes. Input can be both saturation temperature and saturation pressure and two cases were examined. The proposed model gives percentage error of ${\pm}$0.005% for enthalpy and entropy, ${\pm}$0.02% for specific volume and ${\pm}$0.02% for saturation pressure and saturation temperature except several points. From this results neural network could be a powerful method in function approximation of saturated vapor region of R12.

• Journal of Pharmaceutical Investigation
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• v.19 no.3
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• pp.163-171
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• 1989

To investigate the protein binding characteristics of cephalothin, the effects of ionic strength, pH and temperature on the binding of cephalothin to bovine serum albumin (BSA) were studied by UV difference spectrophotometric method. With increasing ionic strength at constant PH and temperature, association constant decreased, but the number of binding sites sites was about 2 constantly. It may be deduced that the binding process is not only due to electrostatic forces. And the increased association constant at high ionic strength is explained by conformational changes of BSA from complex to subunits. The pH effect on the affinity of interaction indicated that the binding affinity of drug is higher in the neutral region than in the alkaline region. And, at high pH value, the number of binding sites decreased from 2 to 1 because of the conformational changes of BSA in alkaline region. The decrease in binding affinity of BSA to drug with increasing temperature was characteristic of an exothermic reaction. And the negative sign of ${\Delta}G^{\circ}$ meant that the binding process occurs spontaneously under the experimental conditions. In cephalothin-BSA complex formation, since the net enthalpy change value and entropy change value are positive, it is assumed that hydrophobic bindings are predominant in this binding process.

• Journal of the Korea Institute of Information and Communication Engineering
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• v.10 no.11
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• pp.2008-2013
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• 2006

In numerical analysis on evaluating the thermal performance of the thermal equipment, numerical values of thermodynamic properties such as temperature, pressure, specific volume, enthalpy and entropy are required. But the steam table itself cannot be used without modelling. In this study applicability of neural networks in modelling the wide temperature range of wet saturated vapor region was examined. the multi-layer neural network consists of a input layer with 1 node, two hidden layers with 10 and 20 nodes respectively and a output layer with 6 nodes. Quadratic and cubic spline interpoations methods were also applied for comparison. Neural network model revealed similar percentage error to spline interpolation. From these results, it is confirmed that the neural networks could be powerful method in modelling the wide range of the steam table.