• Bulletin of the Korean Chemical Society
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• v.12 no.5
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• pp.468-473
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• 1991

Viscoelastic properties of PET filament fibers on stress relaxation were investigated in the solvents of $H_2$O, 0.05% NaOH and 50% DMF using an Instron (UTM4-100 Tensilon) with solvent chamber. The theoretical stress relaxation equation derived by applying the Ree-Eyring's hyperbolic sine law to dashpot of three element non-Newtonian model was applied to the experimental stress relaxation curves, and the model parameters $G_1,G_2$, ${\alpha}$ and ${\beta}$ were obtained. By analyzing temperature dependency of the relaxation time, the values of activation entropy, activation enthalpy and activation free energy for flow in PET filament fiber were evaluated, the activation free energy being about 25.7 kcal/mol. The self diffusion coefficient and hole distance were obtained from parameters ${\alpha}$, ${\beta}$ and crystallite size in order to study the self diffusion and the orientation of crystallites in amorphous region and the effect of solvent.

• Textile Coloration and Finishing
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• v.14 no.1
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• pp.51-57
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• 2002

In the prior study, the mechanical properties and the dyeability of the easily dyeable polyester grim(EDY) were investigated. In this study, to interpret the dyeing behavior of EDY with C. I. Disperse Violet 1, the thermodynamic parameters of dyeing, such as the standard affinity, the heat of dyeing(the enthalpy change), the entropy change, the diffusion coefficient, and the activation energy of diffusion, were obtained from adsorption isotherms and dyeing rate at various temperatures and compared to these of regular polyester (REG-PET). The heat of dyeing(the enthalpy change) and the entropy change for EDY showed smaller negative values than those for REG-PET. This means that the dye molecules in the EDY are combined more loosely than in the REG-PET and that is due to the flexibility of polymer chains of EDY. The diffusion coefficients of C. I. Disperse Violet 1 into the EDY were larger than those for REG-PET, and the activation energy of diffusion on EDY was smaller than that on REG-PET.

• Proceedings of the Korea Inteligent Information System Society Conference
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• 2001.01a
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• pp.30-33
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• 2001

The number of hidden neurons of the feed-forward neural networks is generally decided on the basis of experience. The method usually results in the lack or redundancy of hidden neurons, and causes the shortage of capacity for storing information of learning overmuch. This research proposes a new method for optimizing the number of hidden neurons bases on information entropy, Firstly, an initial neural network with enough hidden neurons should be trained by a set of training samples. Second, the activation values of hidden neurons should be calculated by inputting the training samples that can be identified correctly by the trained neural network. Third, all kinds of partitions should be tried and its information gain should be calculated, and then a decision-tree correctly dividing the whole sample space can be constructed. Finally, the important and related hidden neurons that are included in the tree can be found by searching the whole tree, and other redundant hidden neurons can be deleted. Thus, the number of hidden neurons can be decided. In the case of building a neural network with the best number of hidden units for tea quality evaluation, the proposed method is applied. And the result shows that the method is effective

• Textile Coloration and Finishing
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• v.10 no.3
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• pp.36-42
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• 1998

The dyeabilities of C.I. Reactive Blue 19(B19, MW ; 626), C.I. Reactive Blue 4(B4, MW ; 637) and C.I. Reactive Black 5(B5, MW : 991) were investigated. Initial dyeing rates were increased and the amount of dye on the fabric at equilibrium was decreased with temperature like other ordinary dyeing processes. Activation entropy$(\Delta{S}^*)$ was decreased because of loose bonding between dyestuffes and fiber molecules at transition state. It can be clarified that the entire reaction is exothermic and the number of molecular species at transition state becomes greater from decrease in activation enthalpy$(\Delta{H}^*)$ and the increase in activation free energy$(\Delta{G}^*)$ with temperature, respectively. The amount of B19 on the fabric at equilibrium was greater than that of B4, because B4 became unreactive towards textile substrates through hydrolysis. Due to the biggest size of the dye molecule, the reaction rate of B5 was the slowest but its difunctional group played an important role in achieving the greatest amount of dye on the fabric at equilibrium.

• Bulletin of the Korean Chemical Society
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• v.2 no.3
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• pp.86-89
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• 1981

The rate of the bromine-exchange reaction between gallium bromide and n-propyl bromide in 1,2,4-trichlorobenzene and in nitrobenzene was measured at 19, 25 and $40^{\circ}C$, using n-propyl bromide labelled with Br-82. The results indicated that the exchange reaction was second order with respect to gallium bromide and first order with respect to n-propyl bromide. The third-order rate constant determined at $19^{\circ}C$ is $2.9{\times} 10^{-2}l^2{\cdot}mole^{-2}{\cdot}sec^{-1}$ in 1,2,4-trichlorobenzene and $4.5{\times}10^{-3}l^2{\cdot}mole^{-2}{\cdot}sec^{-1}$. in nitrobenzene. The activation energy, the enthalpy of activation and the entropy of activation for the exchange reaction were also determined. Reaction mechanism for the bromine exchange of n-propyl bromide seemed to be similar to those observed in earlier studies with other alkyl bromides.

• Bulletin of the Korean Chemical Society
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• v.2 no.4
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• pp.138-141
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• 1981

The rate of the bromine-exchange reaction between gallium bromide and i-butyl bromide in 1,2,4-trichlorobenzene or nitrobenzene was measured at 19, 25 and $40^{\circ}C$, using i-butyl bromide labelled with Br-82. The results indicated that the exchange reaction was second order with respect to gallium bromide and first order with respect to i-butyl bromide. The third-order rate constant determined at $19{\circ}C$ was $3.28{\times}10^{-2}l^2{\cdot}mole^{-2}{\cdot}sec^{-1}$ in 1,2,4-trichlorobenzene and $9.25{\times}10^{-3}l^2{\cdot}mole^{-2}{\cdot}sec^{-1}$ in nitrobenzene. The activation energy, the enthalpy of activation and the entropy of activation for the exchange reaction were also determined.

• Corrosion Science and Technology
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• v.21 no.5
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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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• v.32 no.12
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• pp.4185-4190
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• 2011

The nucleophilic substitution reactions of ethylene phosphorochloridate (1c) with substituted anilines ($XC_6H_4NH_2$) and deuterated anilines ($XC_6H_4ND_2$) are investigated kinetically in acetonitrile at $5.0^{\circ}C$. The anilinolysis rate of 1c involving a cyclic five-membered ring is four thousand times faster than its acyclic counterpart (1a: diethyl chlorophosphate) because of great positive value of the entropy of activation of 1c (${\Delta}S^{\neq}=+30\;cal\;mol^{-1}K^{-1}$ compared to negative value of 1a (${\Delta}S^{\neq}=-45\;cal\;mol^{-1}K^{-1}$) over considerably unfavorable enthalpy of activation of 1c (${\Delta}H^{\neq}=27.7\;kcal\;mol^{-1}$) compared to 1a (${\Delta}H^{\neq}=8.3\;kcal\;mol^{-1}$). Great enthalpy and positive entropy of activation are ascribed to sterically congested transition state (TS) and solvent structure breaking in the TS. The free energy correlations exhibit biphasic concave upwards for substituent X variations in the X-anilines with a break point at X = 3-Me. The deuterium kinetic isotope effects are secondary inverse ($k_H/k_D$ < 1) with the strongly basic anilines and primary normal ($k_H/k_D$ > 1) with the weakly basic anilines and rationalized by the TS variation from a dominant backside attack to a dominant frontside attack, respectively. A concerted $S_N2$ mechanism is proposed and the primary normal deuterium kinetic isotope effects are substantiated by a hydrogen bonded, four-center-type TS.

• Textile Coloration and Finishing
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• v.14 no.4
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• pp.214-222
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• 2002

In order to give a silk-like touch to PET fabrics, the PET fabrics were treated with NaOH alkaline solution in various conditions. In alkaline treatment, the liquor flow type pilot weight reduction apparatus with magnetostrictive ultrasonic transducer was used for the study. The weight loss of PET fabrics hydrolyzed in 4% and 6% NaOH solution, at $95^\circ{C}$ and $99^\circ{C}$ for 60min. with ultrasonic application showed 3.7~4.6% higher than that of treated fabric without ultrasonic application. From the difference of specific weight loss, the treatment condition of the maximum of hydrolyzation effect appeared at $95^\circ{C}$ in $4^\circ{C}$ and at $90^\circ{C}$ in 6% NaOH solution, respectively. During the alkali hydrolysis of PET fabrics, the decomposition rate constant(k) increased exponentially with the treatment temperature and were not related with ultrasonic cavitation. The activation energy$(E_a)$ in decomposition of PET fabrics were 21.06kcal/mol with ultrasonic application and 21.10kcal/mol without ultrasonic application. The ultrasonic application gave a little higher value of the activation entropy$(\Delta{S}^\neq)$ and a little lower value of Gibbs free energy$(\Delta{S}^\neq)$ compared with not used ultrasonic apparatus.

• Journal of the Korean Chemical Society
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• v.36 no.2
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• pp.180-184
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• 1992

Kinetic studies for the reaction of pyridine with substituted benzoyl chlorides were conducted under various pressures (1-1000 bar) in acetonitrile. From rate constants, the activation parameters (${\Delta}V^{\neq}$, ${\Delta}{\beta}^{\neq}$,${\Delta}H^{\neq}$, ${\Delta}S^{\neq}$ and ${\Delta}G^{\neq}$) were evaluated. Rates of these reaction increased with an increase in the pressure. The activation volume, the activation compressibility coefficient and the activation entropy were negative. From substituents effect and these results, it was found that these reactions proceed through $S_N2$ mechanism, but the structure of transition state was slightly changed with substituents and pressure.