• Journal of the Korean Electrochemical Society
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• v.15 no.1
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• pp.54-66
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• 2012

The phase-shift method and correlation constants, which are unique electrochemical impedance spectroscopy techniques for studying the linear relationship between the phase shift ($90^{\circ}{\geq}-{\varphi}{\geq}0^{\circ}$) vs. potential (E) behavior for the optimum intermediate frequency ($f_o$) and the fractional surface coverage ($0{\leq}{\theta}{\leq}1$) vs. E behavior, are proposed and verified to determine the Frumkin, Langmuir, and Temkin adsorption isotherms and the related electrode kinetic and thermodynamic parameters. At Ni/0.5 M $H_2SO_4$ and 0.1M LiOH aqueous solution interfaces, the Frumkin and Temkin adsorption isotherms (${\theta}$ vs. E) of H for the cathodic hydrogen ($H_2$) evolution, interaction parameters (g), equilibrium constants (K), standard Gibbs energies (${\Delta}G^0_{\theta}$) of H adsorption, and rates of change (r) of ${\Delta}G^0_{\theta}$ with ${\theta}$ have been determined using the phase-shift method and correlation constants. A lateral repulsive interaction (g>0) between the adsorbed H species appears. The value of K in the alkaline aqueous solution is much greater than that in the acidic aqueous solution.

• Polymer(Korea)
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• v.24 no.2
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• pp.182-193
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• 2000

Molar cyclization equilibrium constant (K$_{x}$) of poly(alkylene terephthalate) (PAT) cyclics was calculated by the Monte Carlo simulation on the basis of rotational isomeric state (RIS) model. The experimental $K_{x}$ of PAT cyclics, which was not clearly explained by the Jacobson-Stockmayer theory and the method of Flory, Suter, and Mutter however, was explained well by the direct computational method with the reaction radius ${\gamma}$=0.5 < ${\gamma}^{2}$> $^{1/2}$. The effect of PAT conformation on $K_{x}$ of PAT cyclics was investigated by changing its statistical weight parameters, ${\sigma}_{1}$ and ${\sigma}_{2}{\cdot}K_{x}$ of PAT cyclics obtained by the direct computation method with various radii and the radius ${\gamma}$=0.5 < ${\gamma}^{2}$> $^{1/2}$ was slightly changed with ${\sigma}_{1}$ and ${\sigma}_{2}$. Consequently, it was concluded that $K_{x}$ of PAT cyclics is strongly dependent on the configuration of each PAT and affected by the change of its conformation to some extent.

• Textile Coloration and Finishing
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• v.9 no.3
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• pp.27-32
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• 1997

Two poly(4-vinylpyridines) having different degree of crosslinking were prepared by radical copolymerization of 4-vinylpyridine with N, N'-tetramethylenebis-acrylamide as a crosslinker. The abilities of these crosslinked polymers to bind acid dyes (methyl orange, ethyl orange, and propyl orange) were investigated at various temperatures in ethylene glycol as the binding medium. From the equilibrium amounts, the first binding constants and thermodynamic parameters for the bindings were evaluated. The first binding constants and thermodynamic parameters were not varied with these dyes. This result indicates that there is no hydrophobic interaction between the crosslinked polymers and the dyes in ethylene glycol. However, the first binding constants showed bell-shaped curves againtst the binding temperatures. This result could be explained in terms of the crosslinked hole size with temperature variation.

• Structural Engineering and Mechanics
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• v.60 no.2
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• pp.271-299
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• 2016

In this article, based on the higher-order shear deformation plate theory, buckling analysis of a rectangular plate made of functionally graded piezoelectric materials and its effective parameters are investigated. Assuming the transverse distribution of electric potential to be a combination of a parabolic and a linear function of thickness coordinate, the equilibrium equations for the buckling analysis of an FGP rectangular plate are established. In addition to the Maxwell equation, all boundary conditions including the conditions on the top and bottom surfaces of the plate for closed and open circuited are satisfied. Considering double sine solution (Navier solution) for displacement field and electric potential, an analytical solution is obtained for full simply supported boundary conditions. The accurate buckling load of FGP plate is presented for both open and closed circuit conditions. It is found that the critical buckling load for open circuit is more than that of closed circuit in all loading conditions. Furthermore, it is observed that the influence of dielectric constants on the critical buckling load is more than those of others.

• Journal of Mechanical Science and Technology
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• v.17 no.12
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• pp.2034-2041
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• 2003

This study introduced a lattice Boltzmann computational scheme capable of modeling thermo hydrodynamic flows with simpler equilibrium particle distribution function compared with other models. The equilibrium particle distribution function is the local Maxwelian equilibrium function in this model, with all the constants uniquely determined. The characteristics of the proposed model is verified by calculation of the sound speeds, and the shock tube problem. In the lattice Boltzmann method, a thermal fluid or compressible fluid model simulates the reflection of a weak shock wave colliding with a sharp wedge having various angles $\theta$$\sub$w/. Theoretical results using LBM are satisfactory compared with the experimental result or the TVD.

• Nonlinear Functional Analysis and Applications
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• v.27 no.1
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• pp.1-22
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• 2022

The purpose of this research is to formulate a new proximal-type algorithm to solve the equilibrium problem in a real Hilbert space. A new algorithm is analogous to the famous two-step extragradient algorithm that was used to solve variational inequalities in the Hilbert spaces previously. The proposed iterative scheme uses a new step size rule based on local bifunction details instead of Lipschitz constants or any line search scheme. The strong convergence theorem for the proposed algorithm is well-proven by letting mild assumptions about the bifunction. Applications of these results are presented to solve the fixed point problems and the variational inequality problems. Finally, we discuss two test problems and computational performance is explicating to show the efficiency and effectiveness of the proposed algorithm.

• Journal of Environmental Science International
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• v.12 no.8
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• pp.871-879
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• 2003

The complexation of co-contaminant mixtures between Ag(I) and polycyclic aromatic hydrocarbon (PAH) molecules (naphthalene, pyrene, and perylene) were investigated to quantify the equilibrium constants of their complexes and elucidate the interactions between Ag(I) and PAH molecules. The apparent solubilities of PAHs in aqueous solutions increased with increasing Ag(I) ion concentration. The values, K$_1$ and K$_2$ of equilibrium constants of complexes of Ag(I)-PAHs, were 2.990 and 0.378, 3.615 and 1.261, and 4.034 and 1.255, for naphthalene, pyrene, and perylene, respectively, The K$_1$and K$_2$ values of PAHs for Ag(I) increased in the order of naphthalene ＜ pyrene ＜ perylene and naphthalene ＜ pyrene ≒ perylene, respectively, indicating that a larger size of PAH molecule is likely to have more a richer concentration of electrons on the plane surfaces which can lead to stronger complexes with the Ag(I) ion. For the species of Ag(I)-PAH complexes, a 1:1 Ag(I) : the aromatic complex, AgAr$\^$＋/, was found to be a predominant species over a 2:1 Ag(I) : aromatic complex, Ag$_2$Ar$\^$＋＋/. The PAH molecules with four or more aromatic rings and/or bay regions were observed to have slightly less affinity with the Ag(I) ion than expected, which might result from inhibiting forces such as the spread of aromatic $\pi$ electrons over o wide molecular surface area and the intermolecular electronic repulsion in bay regions.

• Journal of the Korean Chemical Society
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• v.32 no.6
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• pp.513-519
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• 1988

The effect of pressure and temperature on the stabilities of hexamethylbenzene-1,3,5-trinitrobenzene charge transfer complex in carbon tetrachloride has been investigated by spectrophotometric measurements. The absorption spectra of charge transfer complexes were measured at 25, 40, $50^{\circ}C$ under 1, 200, 500, 1000, 1400 bar in this experiments. The equilibrium constants of the complex were increased with pressure and decreased with temperature rising. The absorption coefficients were increased with pressure and temperature. Change of volume, enthalpy, free energy and entropy for the formation of complexes were calculated from the equilibrium constants. The red-shift observed at a higher pressure, the blue-shift at a higher temperature and the relation between pressure and oscillator strength were discussed by means of thermodynamic fuctions.

• Bulletin of the Korean Chemical Society
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• v.29 no.3
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• pp.555-561
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• 2008

In air stripping of ammonia from the aqueous solution, a new removal model was presented considering the equilibrium principles for the ammonia in aqueous solution and between the aqueous and air phase. The effects of pH, temperature and airflow rate on the ammonia removal were evaluated with the model. In addition, the saturation degree of ammonia in air was defined and used to evaluate the effect of each experimental factor on the removal rate. As pH (8.9 to 11.9) or temperature (20 to 50 oC) was increased, the overall removal rate constants in all cases were appeared to be increased. Our presented model shows that the degrees of saturation were about the same (0.45) in all cases when the airflow condition remains the same. This result indicates that the effect of pH and temperature were directly taken into consideration in the model equation. As the airflow increases, the overall removal rate constants were increased in all cases as expected. However, the saturation degree was exponentially decreased with increasing the airflow rate in the air phase (or above-surface) aeration. In the subsurface aeration the saturation degree remains a constant value of 0.65 even though the airflow rate was increased. These results indicate that the degree of saturation is affected mainly by the turbulence of the aqueous solution and remains the same above a certain airflow rate.

• Nuclear Engineering and Technology
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• v.49 no.8
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• pp.1778-1782
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• 2017

The interaction of $NpO^+_2$ with $Cl^-$ was studied using visible-near-infrared spectroscopy in $NaCl-Ca-Cl_2-NaClO_4$, $NaCl-NaClO_4$, and $CaCl_2-NaClO_4$ solutions with ionic strength (I) of 6M. The spectra of $NpO^+_2$ around 980 nm varied with $Cl^-$ concentration in the $NaCl-CaCl_2-NaClO_4$ and $NaCl-NaClO_4$ solutions at [$Cl^-$] ${\geq}3.5M$, but not in the $CaCl_2-NaClO_4$ solution. Assuming the 1:1 interaction between $NpO^+_2$ and $Cl^-$, the apparent equilibrium constants at I = 6M were evaluated. The presence of $Ca^{2+}$ was found to destabilize overall interaction between $NpO^+_2$ and $Cl^-$. The observations were consistent with the density functional theory calculation.