• Journal of the Korean Chemical Society
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• v.52 no.6
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• pp.614-621
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• 2008

• Journal of the Korean Chemical Society
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• v.9 no.4
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• pp.211-214
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• 1965

The partition function of liquid methyl chloride and methyl bromide are developed by applying the significant structure theory of liquid.$^{(1-3)}$ The parameters therein are determined by the modified significant structure theory of liquid.$^{(4)}$ The molar volume, the vapor pressure, and the entropy of vaporization of the liquids are calculated over a wide temperature range. The critical properties for the liquids are also calculated. The results show good agreement with experimental observations.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.11 no.9
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• pp.693-699
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• 1998

In this work $Cd_4GeS_6:Co^{2+}$(0.5mole%) single crystals were grown by the chemical transporting reactiov(CTR) method using high purity(6N) elements. The grown single crystals crystallized in a monoclinic structure(space group Cc). The direct optical energy gap of this single crystals was found to be 2.445eV at 300K and the temperature dependence of optical energy gap was fitted well to Varshni equation. But at temperatures lower than 70K an anomalous temperature dependence of the optical energy gap was obtained. This anomalous temperature dependence accored well with the anomalous temperature dependence of the unit cell volume. Also, the entropy, enthalpy and heat capacity were deduced from the temperature dependence of optical energy gaps.

• Journal of the Korean Chemical Society
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• v.43 no.6
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• pp.614-620
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• 1999

The critical micelle concentration (CMC) and the counterion binding constant (${\beta}$) at the CMC of the mixtures of Dodecylpyridinium chloride (DPC) and Tetradecyltrimethylammonium bromide (TTAB) have been determined from the concentration dependence of electrical conductance at various temperatures from $4^{\circ}C$ to $36^{\circ}C$. Thermodynamic parameters (${\Delta}C_p$, ${\Delta}G^o_m$, ${\Delta}H^o_m$ and ${\Delta}S^o_m$), associated with the micelle formation of DPC/TTAB mixtures, have been estimated from the temperature dependence of CMC and ${\beta}$values. The measured values of ${\Delta}C_p$ and ${\Delta}G^o_m$ are negative but the values of ${\Delta}S^o_m$ are positive in the whole measured temperature region. The values of ${\Delta}H^o_m$ are positive at low temperature region and negative at high temperature region. The results show that all of the thermodynamic parameters are dependent on temperature and mole fraction of DPC(${\alpha}_DPC$).

• Journal of the Korean Chemical Society
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• v.40 no.6
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• pp.420-426
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• 1996

The critical micelle concentration(CMC) and the counterion binding $constant(\beta)$ at the CMC of the mixtures of Sodium dodecylsulfate(SDS) with Sodium dodecylbenzenesulfonate(DBS) in aqueous solutions have been determined from the concentration dependence of electrical conductance at several temperatures from $15^{\circ}C$ to $35^{\circ}C.$ Thermodynamic parameters(${\Delta}C_p,\;{\Delta}G_m^{\circ},\;{\Delta}H_m^{\circ}$ 및 ${\Delta}S_m^{\circ}$ and ${\Delta}C_p$), associated with the micelle formation of SDS/DBS mixtures, have been estimated from the temperature dependence of CMC and $\beta$ values. The measured values of ${\Delta}G_m^{\circ}\;and\;{\Delta}C_p$ are negative but the values of ${\Delta}S_m/^{\circ}$ are positive in the whole measured temperature region. The significance of these thermodynamic parameters and their relation to the theory of the micelle formation of SDS/DBS mixtures have been also considered.

• Journal of the Korean Applied Science and Technology
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• v.38 no.4
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• pp.994-1002
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• 2021

The solubilization constants (K_s) of 4-halogenated aniline derivatives by cationic surfactants (DTAB, TTAB, and CTAB) were measured by the UV-Vis method. As a result, the K_s values decreased as the temperature increased for all the aniline derivatives and showed a tendency to increase as the radius of the halogen substituent and the hydrophobic length of surfactant increased. The calculated values of ΔG^o and ΔH^o for these solubilizations all showed negative values within the measured range, but all the ΔS^o values showed positive values. For all the 4-halogenated anilines, the ΔG^o values all tended to decrease as the temperature increased, but both values of ΔH^o and ΔS^o showed a tendency to increase. In addition, as the radius of the halogen substituent increased, the values of ΔH^o and ΔS^o tended to decrease in general. However, when the hydrophobic group length of the surfactant was increased, the values of these thermodynamic functions showed a tendency to increase in general, although it differed depending on the type of aniline derivative. From the changes of such functions, it was possible to estimate the type and strength of interactions between 4-halogenated aniline and micelle, and the location at which they were solubilized in the micelle.

• Computational Structural Engineering
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• v.10 no.3
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• pp.241-250
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• 1997

The strain localization of concrete is a phenomenon such that the deformation of concrete is localized in finite region along with softening behavior. The objective of this paper is to develop a plasticity and damage algorithm for the finite element analysis of the strain-localization in concrete. In this paper, concrete member under strain localization is modeled with localized zone and non-localized zone. For modeling of the localized zone in concrete under strain localization, a general Drucker-Prager failure criterion by which the nonlinear strain softening behavior of concrete after peak-stress can be considered is introduced in a thermodynamic formulation of the classical plasticity model. The return-mapping algorithm is used for the integration of the elasto-plastic rate equation and the consistent tangent modulus is also derived. For the modeling of non-localized zone in concrete under strain localization, a consistent nonlinear elastic-damage algorithm is developed by modifying the free energy in thermodynamics. Using finite element program implemented with the developed algorithm, strain localization behaviors for concrete specimens under compression are simulated.

• Journal of the Korean Chemical Society
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• v.53 no.5
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• pp.512-520
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• 2009

The theoretical calculations for $S_nO_n,\;S_nO_{2n},\;S_nO_{3n}\;(n\;=\;1{\sim}4)$ have been considered at the B3LYP level of theory with various basis sets. The optimized geometries, harmonic vibrational frequencies, and binding energies are evaluated to elucidate the thermodynamic stability and spectroscopic properties. The harmonic vibrational frequencies for the molecules considered in this study show all real numbers implying true minima. The binding energies due to increasing of $S_nO_n,\;S_nO_{2n},\;S_nO_{3n}$ monomers are calculated at the MP2/6-311G** level of theory. For $S_nO_n\;(n\;=\;1{\sim}4)$, the binding energy difference is about 20∼25 kcal/mol by adding SO monomer. For $SO_2\;and\;SO_3\;(n\;=\;1{\sim}4)$, the binding energy differences are relatively small by comparing to $S_nO_n$.

• 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 the Korean Chemical Society
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• v.37 no.7
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• pp.635-641
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• 1993

Electrochemical cell, $Pt|air(PO_2=5.3{\times}10^{-3}atm)|Zr_{0.85}Ca_{0.15}O_{1.85}|air(PO_2= 0.21atm)|Pt$, has been designed to characterize the solid electrolyte and the temperature dependence of the electromotive force (EMF) has been measured in a temperature range of 600∼1000${\circ}$C. Solid electrolyte shows pure ionic conduction of the oxygen anion. The Fe-FexO, Co-CoO, Ni-NiO, and Cu2O-CuO electrodes have been prepared by mixing the 1 : 1 mole ratio of each metal and metal oxide and then by heating at 800${\circ}$C for 6 hours. Electrochemical cells, Pt│M(s), $MO(s)|Zr_{0.85}Ca_{0.15}O_{1.85}|air(PO_2=0.21atm)|Pt$, have been designed and the temperature dependence of the EMF has also been measured in the same temperature range. The changes of the thermodynamic state functions for the formation of the metal oxides are calculated from the electromotive forces and their temperature dependences. The material properties of the oxide systems are also discussed with the function changes.