• Applied Chemistry for Engineering
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• v.8 no.6
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• pp.1041-1047
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• 1997

The influence of $\omega$-phenylalkylammonium salt on the critical micelle concentration (CMC) of SDS has been examined using the electric conductivity method. CMC of SDS exhibited the tendency to decrease with the length of alkyl group of additives. The effect of temperature on CMC of SDS in additive solutions has been observed in the range of $18^{\circ}C-50^{\circ}C$. The free energy(${\Delta}G_m^{\circ}$) for the micellization of SDS is negative and the entropy(${\Delta}S_m^{\circ}$) is a large positive value. The enthalpy(ΔHm0is positive in low temperature($18^{\circ}C$) and negative in high temperature($>25^{\circ}C$). In the prensence of organic additives, the micellization of SDS was considered as a spontaneous process and to involve a phase transition. The values of ΔGm0has shown the tendency to increase but the values of ${\Delta}S_m^{\circ}$ and ${\Delta}H_m^{\circ}$ to decrease with the length of alklyl group of additive salts. The changes in ${\Delta}\kappa$(difference of specific conductivity) with increasing mole ratio of additives in the mixed solutions indicated the formation of mixed micelles between SDS and additives. The effect of the length of alkyl chain on the micellization of SDS demonstrated the penetration of organic additives into the palisade layer of the SDS micelle.

• Applied Chemistry for Engineering
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• v.16 no.4
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• pp.581-587
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• 2005

In order to obtain a highly purified p-dioxanone (PDX) as monomer of biodegradable polymer, suitable solvent must be selected. The selection was based on the solubility of impurities, and partial layer melt crystallization were carried out under the presence of solvent. The solubility of PDX in various solvents such as ethyl acetate, tetrahydrofuran, acetone, alcohols (methanol, ethanol, 1-propanol, 1-butanol and 1-pentanol) were measured over the temperature range of $-10{\sim}15^{\circ}C$. As solubility parameters, the mixing and dissolution enthalpy between the PDX and the solvents was studied based on empirical equations and the regular solution theory. The solubility and the temperature dependency of the solubility with the solvents of acetone, ethylacetate, and tetrahydrofuran of PDX were shown to have relatively high values compared to the alcohol type solvents. Also, in same alcohols, the smaller molecules and higher polarity gave higher solvency. In partial layer melt crystallization, small amount of ethylacetate selectively dissolved impurities and gave highly purified p-dioxanone, over 99.9% purity.

• Applied Chemistry for Engineering
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• v.7 no.6
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• pp.1192-1203
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• 1996

$Al_2O_3-TiO_2$ composite oxide adsorbents which could be applied in high-temperature water were prepared by hydrolysis of aluminum and titanium alkoxide. The prepared adsorbents were calcined at $600{\sim}1400^{\circ}C$ and in order to investigate the various properties - the transition of crystals, thermal properties, and specific surface area, X-ray diffractometry, thermal analysis, FT-IR, SEM and BET method were employed. And the $Co^{2+}$ adsorption characteristics of these adsorbents in high-temperature water were investigated by batch adsorption experiment in a stirred autoclave. Since the adsorption of $Co^{2+}$ on the $Al_2O_3-TiO_2$ adsorbents was irreversible endothermic in the temperature range of $150{\sim}250^{\circ}C$, the standard enthalpy changes of 26, 43, and 80 mol% of $TiO_2$ on $Al_2O_3$ were in the range of $16.5{\sim}26.0kJ{\cdot}mol^{-1}$. The adsorbent of 26 mol% of $TiO_2$ on $Al_2O_3$ which was calcined at $600^{\circ}C$ for 2 hours showed the adsorption amount of $0.1674meq{\cdot}g^{-1}$ in the high temperature water at $250^{\circ}C$.

• Clean Technology
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• v.26 no.2
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• pp.122-130
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• 2020

The isotherm, kinetic, and thermodynamic parameters of reactive blue 4 adsorbed by activated carbon were investigated for activated carbon dose, pH, initial concentration, contact time, and temperature data. The adsorption of the RB 4 dye by activated carbon showed a concave shape in which the percentage of adsorption increased in both directions starting from pH 7. The isothermal adsorption data were applied to Langmuir, Freundlich, and Temkin isotherms. Both Freundlich and Langmuir isothermal adsorption models fit well. From determined Freundlich separation factor (1/n = 0.125 ~ 0.232) and Langmuir separation factor (R_L = 1.53 ~ 1.59), adsorption of RB 4 by activated carbon could be employed as an effective treatment method. The constant related to the adsorption heat (B_T = 2.147 ~ 2.562 J mol^-1) of Temkin showed that this process was physical adsorption. From kinetic experiments, the adsorption process followed the pseudo second order model with good agreement. The results of the intraparticle diffusion model showed that the inclination of the first straight line representing the surface diffusion was smaller than that of the second straight line representing the intraparticle pore diffusion. Therefore, it was confirmed that intraparticle pore diffusion is the rate-controlling step. The negative Gibbs free energy change (ΔG = -3.262 ~ -7.581 kJ mol^-1) and the positive enthalpy change (ΔH = 61.08 kJ mol^-1) indicated the spontaneous and endothermic nature of the adsorption process, proving this process to be spontaneous and endothermic.

• Journal of the Korean Chemical Society
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• v.62 no.5
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• pp.358-363
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• 2018

The purpose of this study is to show the possibility of using Cu catalyst in removal of $NO_x$ from automobile exhaust which is regarded as the primary source of fine dust PM2.5. The energy and the bond lengths of the three possible structures of Cu-NO complex, which is formed by binding NO molecule to Cu, and the changes in IR and Raman spectra are calculated using MPW1PW91 method on the level of 6-311(+)G(d,p) of basis sets with Gaussian 09 program. As a result, the enthalpy of formation of the Cu-NO complexes are obtained as ${\Delta}H=104.89$, 91.98, -127.48 kJ/mol for the linear, bent, and bridging forms of them, respectively. And the bond lengths between N and O in NO complexes, which becomes longer than NO molecule, indicates that O is easily reduced from Cu-NO. In addition, the Cu-NO complexes using Cu catalyst can be easily measured by infrared or Raman spectroscopy because in the IR and Raman spectra of the NO and Cu-NO complexes the positon and the intensity of bands are definitely different in each vibration mode.

• Journal of the Korean Chemical Society
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• v.18 no.5
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• pp.320-328
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• 1974

It is unable to derive the standard emf ($E^{\circ}$) of the cell at high pressure from the conventional method. However, when the concept of the complete equilibrium constant($K{\circ})$) is available to the conventional Nernst equation, it is possible to get the standard emf of the cell at high pressure(complete Nernst equation). Moreover, the other thermodynamic properties, such as the net change of solvation number(k), the compressibility of solvent(${\beta}$), ionization constant(K), the standard free energy change(${\Delta}G^{\circ}$), the standard enthalpy change(${\Delta}H^{\circ}$) and the standard entropy change (${\Delta}S^{\circ}$) of the cell reaction at equilibrium state have been also obtained. In this experiment, the emf of the cell; 12.5 % Cd(Hg)│$CdSO_4(3.105{\times}10^{-3}M),\;Hg_2SO_4│Hg$ have bee measured at temperature from 20 to $35^{\circ}C$ and at pressures from 1 to 2500 atms. The emf of the cell increased with increasing pressure at constant temperature, and did with increasing temperature at constant pressure. The net change of solvation number(k) of the cell reaction was 41.96 at $25^{\circ}C$, and kept constant value with pressure, while, K and ${\Delta}S^{\circ}$ increased with pressure, but whereas ${\Delta}G^{\circ}$ and ${\Delta}H^{\circ}$ decreased. Since the standard emf of the cell at high pressure can be calculated from the complete Nernst equation, the theory of chemical equilibrium could be developed with at high pressure as well as at the atmosphere.

• Journal of the Korean Chemical Society
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• v.35 no.4
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• pp.343-349
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• 1991

Formation of charge transfer complex between iodine and substituted aniline [aniline, N,N-dimethylaniline(N,N-DMA), 2,6-dimethylaniline(2,6-DMA), 2,4,6-trimethylaniline(2,4,6-TMA)] in CHCl$_3$, CH$_2$Cl$_2$ : CHCl$_3$ (1 : 1), and CH$_2$Cl$_2$ have been studied kinetically by using conductivity method. In the transformation of initially formed outer charge transfer complex to inner complex, the effects of substituted aniline as electron donor and polar medium on the reaction were investigated. The rate of transformation depend on the dielectric contribution of medium and pK$_a$ value of substituted aniline. The order of rate increasing is 2,4,6-TMA, 2,6-DMA, aniline, and N,N-DMA. The activation enthalpy ${\Delta}H^{\neq}$ for 2.5 M-substituted aniline in CHCl$_3$ at 25$^{\circ}C$ is respectively N,N-DMA, 3.47 kcal/mol; aniline, 4.25 kcal/mol; 2,6-DMA, 7.79 kcal/mol and 2,4,6-TMA, 7.96 kcal/mol; and activation entropy ${\Delta}S^{\neq}$ is large and negative value of -41 ~ -55 cal/mol${\cdot}$K.

• Journal of the Korean Magnetics Society
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• v.21 no.2
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• pp.43-47
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• 2011

It is known that the Fe-Al transition metal compounds have a lot of disagreement about structural stability and magnetism. In this study, the correlation between magnetism and atomic structure of ordered $B_2$, $L1_2$, and $D0_3$ structured Fe-Al compounds has been investigated using the all-electron full-potential linearized augmented plane wave (FLAPW) method based on the generalized gradient approximation (GGA). We found that considered all the structures were calculated to be stabilized in a ferromagnetic state. The calculated spin magnetic moments of the Fe atoms for B2 and $L1_2$ structures were 0.771 and 2.373 ${\mu}_B$, respectively, and that of Fe(I) and Fe(II) in $D0_3$ structure calculated to be 2.409 ${\mu}_B$, 1.911 ${\mu}_B$, respectively. In order to investigate structural stability between $L1_2$ and $D0_3$ structures, we performed the formation enthalpy calculations. As a result, the $D0_3$ structure is found to be more favorable than $L1_2 one by energy difference 16 meV/atom, which is well consistent with the experimental observation. We understood about structural stability and magnetism for Fe-Al compounds in terms of analysis of their atomic and electronic structures.

• Bulletin of the Korean Chemical Society
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• v.2 no.3
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• pp.96-104
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• 1981

(1) The flow data of f (stress) and ${\dot{s}$ (strain rate) for Fe and Ti alloys were plotted in the form of f vs. -ln ${\dot{s}$ by using the literature values. (2) The plot showed two distinct patterns A and B; Pattern A is a straight line with a negative slope, and Pattern B is a curve of concave upward. (3) According to Kim and Ree's generalized theory of plastic deformation, pattern A & B belong to Case 1 and 2, respectively; in Case 1, only one kind of flow units acts in the deformation, and in Case 2, two kinds flow units act, and stress is expressed by $f={X_1f_1}+{X_2f_2}$where $f_1\;and\;f_2$ are the stresses acting on the flow units of kind 1 and 2, respectively, and $X_1,\;X_2$ are the fractions of the surface area occupied by the two kinds of flow units; $f_j=(1/{\alpha}_j) sinh^{-1}\;{\beta}_j{{\dot{s}}\;(j=1\;or\;2)$, where $1/{\alpha}_j\;and\;{\beta}_j$ are proportional to the shear modulus and relaxation time, respectively. (4) We found that grain-boundary flow units only act in the deformation of Fe and Ti alloys whereas dislocation flow units do not show any appreciable contribution. (5) The deformations of Fe and Ti alloys belong generally to pattern A (Case 1) and B (Case 2), respectively. (6) By applying the equations, f=$(1/{\alpha}_{g1}) sinh^-1({\beta}_{g1}{\dot{s}}$) and $f=(X_{g1}/{\alpha}_{g1})sinh^{-1}({\beta}_{g1}{\dot{s}})+ (X_{g2}/{\alpha}_{g2})\;shih^{-1}({\beta}_{g2}{\dot{s}})$ to the flow data of Fe and Ti alloys, the parametric values of $x_{gj}/{\alpha}_{gj}\;and\;{\beta}_{gs}(j=1\;or\;2)$ were determined, here the subscript g signifies a grain-boundary flow unit. (7) From the values of ($({\beta}_gj)^{-1}$) at different temperatures, the activation enthalpy ${\Delta}H_{gj}^{\neq}$ of deformation due to flow unit gj was determined, ($({\beta}_gj)^{-1}$) being proportional to , the jumping frequency (the rate constant) of flow unit gj. The ${\Delta}H_{gj}\;^{\neq}$ agreed very well with ${\Delta}H_{gj}\;^{\neq}$ (self-diff) of the element j whose diffusion in the sample is a critical step for the deformation as proposed by Kim-Ree's theory (Refer to Tables 3 and 4). (8) The fact, ${\Delta}H_{gj}\;^{\neq}={\Delta}H_{j}\;^{\neq}$ (self-diff), justifies the Kim-Ree theory and their method for determining activation enthalpies for deformation. (9) A linear relation between ${\beta}^{-1}$ and carbon content [C] in hot-rolled steel was observed, i.e., In ${\beta}^{-1}$ = -50.2 [C] - 40.3. This equation explains very well the experimental facts observed with regard to the deformation of hot-rolled steel..

• Clean Technology
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• v.25 no.1
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• pp.56-62
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• 2019

The equilibrium, kinetic and thermodynamic parameters of adsorption of murexide by granular activated carbon were investigated. The experiment was carried out by batch experiment with the variables of the amount of the adsorbent, the initial concentration of the dye, the contact time and the temperature. The isothermal adsorption equilibrium was best applied to the Freundlich equation in the range of 293 ~ 313 K. From the separation factor (${\beta}$) of Freundlich equation, it was found that adsorption of murexide by granular activated carbon could be the appropriate treatment method. The adsorption energy (E) obtained from the Dubinin- Radushkevich equation shows that the adsorption process is a physical adsorption process. From the kinetic analysis of the adsorption process, pseudo second order model is more consistent than pseudo first order model. It was found that the adsorption process proceeded to a spontaneous process and an endothermic process through Gibbs free energy change ($-0.1096{\sim}-10.5348kJ\;mol^{-1}$) and enthalpy change ($+151.29kJ\;mol^{-1}$). In addition, since the Gibbs free energy change decreased with increasing temperature, adsorption reaction of murexide by granular activated carbon increased spontaneously with increasing temperature. The entropy change ($147.62J\;mol^{-1}\;K^{-1}$) represented the increasing of randomness at the solid-solution interface during the adsorption reaction of murexide by activated carbon.