• Bulletin of the Korean Chemical Society
• /
• v.30 no.10
• /
• pp.2203-2207
• /
• 2009

Chemical equilbria of nickel chloride in HCl solution at $25\;{^{\circ}C}$ were analyzed by considering chemical equilibria, mass and charge balance equations. The activity coefficients of solutes were calculated by using Bromley equation. The necessary thermodynamic properties, such as the equilibrium constant for the formation of Ni$Cl^+$ at zero ionic strength and interaction parameter, were evaluated by applying Bromley equation to the stability constant data reported in the literature. It was found that most nickel exists as $Ni^{2+}$ in HCl solution up to 5 molality HCl. The pH values of Ni$Cl_2-HCl-H_2O$ system at $25\;{^{\circ}C}$ calculated in this study agreed well with the pH values measured by employing pH meter.

• Membrane and Water Treatment
• /
• v.3 no.2
• /
• pp.123-131
• /
• 2012

This study investigated the extraction and stripping performance of PIMs consisting of PVC and Aliquat 336. Extraction and stripping of three representative heavy metals - namely $Cd^{2+}$, $Cu^{2+}$, and $Zn^{2+}$ - by the synthesized membranes were evaluated as a function of sodium chloride concentration and under different stripping solutions (0.01 M $HNO_3$, Milli-Q water, 0.01 M HCl and 0.01 M NaOH), respectively. Results reported here indicate that the formation of negatively charged metal chloride complex species was responsible for the extraction of the target metal to PIMs. Experimental results and thermodynamic modeling of the speciation of chloro metal complexes further confirm that the extraction selectivity between $Cd^{2+}$, $Cu^{2+}$ and $Zn^{2+}$ can be controlled by regulating the chloride concentration of the feed solution. An acidic solution without any chloride was the most effective stripping solution, followed by Milli-Q water, and a diluted hydrochloric acid solution. On the other hand, the stripping of metals from PIMs did not occur when a basic stripping solution was used.

• Environmental Engineering Research
• /
• v.20 no.1
• /
• pp.73-78
• /
• 2015

The aim of this study was to examine the phosphate (P) removal by quintinite from aqueous solutions. Batch experiments were performed to examine the effects of reaction time, temperature, initial phosphate concentration, initial solution pH and stream water on the phosphate adsorption to quintinite. Kinetic, thermodynamic and equilibrium isotherm models were used to analyze the experimental data. Results showed that the maximum P adsorption capacity was 4.77 mgP/g under given conditions (initial P concentration = 2-20 mgP/L; adsorbent dose = 1.2 g/L; reaction time = 4 hr). Kinetic model analysis showed that the pseudo second-order model was the most suitable for describing the kinetic data. Thermodynamic analysis indicated that phosphate sorption to quintinite increased with increasing temperature from 15 to $45^{\circ}C$, indicating the spontaneous and endothermic nature of sorption process (${\Delta}H^0=487.08\;kJ/mol$; ${\Delta}S^0=1,696.12\;J/(K{\cdot}mol)$; ${\Delta}G^0=-1.67$ to -52.56 kJ/mol). Equilibrium isotherm analysis demonstrated that both Freundlich and Redlich-Peterson models were suitable for describing the equilibrium data. In the pH experiments, the phosphate adsorption to quintinite was not varied at pH 3.0-7.1 (1.50-1.55 mgP/g) but decreased considerably at a highly alkaline solution (0.70 mgP/g at pH 11.0). Results also indicated that under given conditions (initial P concentration=2 mgP/L; adsorbent dose=0.8 g/L; reaction time=4 hr), phosphate removal in the stream water (1.88 mgP/g) was lower than that in the synthetic solution (2.07 mgP/g), possibly due to the presence of anions such as (bi)carbonate and sulfate in the stream water.

• Bulletin of the Korean Chemical Society
• /
• v.16 no.5
• /
• pp.454-458
• /
• 1995

Inhibiting action of semicarbazide, thiosemicarbazide, sym. diphenylcarbazide towards corrosion of zinc in hydrochloric acid has been investigated. The rate of corrosion depends on the nature of the inhibitor and its concentration. The values of inhibition efficiency from, weight loss, thermometric measurements are in good agreement with those obtained from polarization studies. From the polarization studies, the inhibitors used act as mixed absorption type inhibitors, increased adsorption resulting from an increase in the electron density at the reactive C=S and C=O groups and N-atoms. The thermodynamic parameters of adsorption obtained using Bockris-Swinkels adsorption isotherm reveal a strong interaction of these carbazides on zinc surface.

• Membrane Journal
• /
• v.12 no.2
• /
• pp.75-89
• /
• 2002

The effect of addition of inorganic salts in polyethersulfone (PES) polymer solution on the membrane formation and ultrafiltartion performance was studied through the thermodynamic and kinetic properties of casting solution. To control the thermodynamic and kinetic properties of casting solution, various inorganic salts $[CaC1_2, LiCl, LiClO_4, ZnC1_2 $and Mg(ClO_4)_2]$ were added in the PES/NMP solution. Variation of membrane morphology and performance of the resulting membranes with change of the salt type and content added in tasting solution were discussed using viscosity, coagulation value, light transmittance measurement, overall membrane porosity, ultrafiltration experiment and cross-sectional SEM image. For all kind of inorganic salts, according as increase of the salt content in casting solution, viscosity is increased, coagulation value becomes lower, top layer thickness below the skin surface is increased, bovine serum albumin(BSA) rejection decreased and pure water flux is increased except $CaC1_2$ and LiCl. In case of $CaC1_2$ and LiCl, it is found that when the salt content is increased, the formation of macrovoids is suppressed and the precipitation rate becomes slow while instantaneous demixing of precipitation type is maintained. However, in case of $LiClO_4$ and $Mg(ClO_4)_2,$ it is found that precipitation rate becomes faster.

• Applied Chemistry for Engineering
• /
• v.27 no.6
• /
• pp.590-598
• /
• 2016

In this study, the adsorption behavior from aqueous solution as well as kinetic and thermodynamic parameters of Acid Black 1 were investigated through batch reaction using coconut shell based granular steam activated carbon. The effects of various adsorption parameters such as pH, initial concentration, contact time, temperature were studied. To confirm the effect of pH, pHpzc measurements were analyzed followed by measuring removal efficiencies of Acid Black 1 at the pH range from 3 to 11. Experimental equilibrium adsorption data were fitted using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich adsorption isotherm. The conformity of adsorption reaction for pseudo first and second order model were evaluated through kinetic analysis. Values of enthalpy change and activation energy were also investigated through thermodynamic analysis and it was confirmed that the adsorption process was endothermic. The spontaneity of adsorption process was evaluated using the values of entropy and Gibbs free energy changes.

• Journal of the Korean Chemical Society
• /
• v.36 no.2
• /
• pp.212-217
• /
• 1992

The thermodynamic parameters for the formation of gadolinium benzoate have been determined in the ionic medium of 0.1 M $NaClO_4$ at $25^{\circ}C$ in aqueous solution. The thermodynamic results indicate that the complex is stabilized by the excess entropy effect caused by the dehydration of reacting ions. The especially high stability of Gd(III)-benzoate compared to the monodentate ligand complexes might be ascribed to the conjugation effect of the benzene ring in the benzoate ligand. IR spectra show that benzoate anion acts as a bidentate ligand toward $Gd^{3+}$ to form a chelate ring in solid state. Magnetic susceptibility data of the compound were also obtained and well described by Curie-Weiss law in the temperature range 80${\sim}$300K.

• Journal of the Korean Chemical Society
• /
• v.42 no.4
• /
• pp.443-448
• /
• 1998

The thermodynamic parameters for the interaction of metal ions with dibenzo-16-crown-5 and its derivatives have been determined by solution calorimetry in methanol at 25$^{\circ}C$. Thermodynamic properties of log K, ${\Delta}H$, and $T{\Delta}S$ have been determined for the complexation of metal cations by dibenzo-16-crown-5 and its derivatives. Dibenzo-16-crown-5 and its derivatives have been studied as metal cations carrier in bulk liquid membrane (BLM) and supported liquid membrane (SLM) system. $Ag^+$ has been much more transported using dibenzo-16-crown-5 derivatives as carriers and several other metal cations have been small transported using carrier in BLM and SLM system. Ligand structure, the length of side arm, donor atom, stability constant, and carrier concentration are also important parameters in the transport of cations.

• Nuclear Engineering and Technology
• /
• v.55 no.7
• /
• pp.2556-2566
• /
• 2023

A first-principle approach within the framework of density functional theory was employed to study the effect of vacancy defects and fission products (FPs) doping on the mechanical, electronic, and thermodynamic properties of uranium monocarbide (UC). Firstly, the calculated vacancy formation energies confirm that the C vacancy is more stable than the U vacancy. The solution energies indicate that FPs prefer to occupying in U site rather than in C site. Zr, Mo, Th, and Pu atoms tend to directly replace U atom and dissolve into the UC lattice. Besides, the results of the mechanical properties show that U vacancy reduces the compressive and deformation resistance of UC while C vacancy has little effect. The doping of all FPs except He has a repairing effect on the mechanical properties of U_1-xC. In addition, significant modifications are observed in the phonon dispersion curves and partial phonon density of states (PhDOS) of UC_1-x, Zr_xU_1-xC, Mo_xU_1-xC, and Rh_xU_1-xC, including narrow frequency gaps and overlapping phonon modes, which increase the phonon scattering and lead to deterioration of thermal expansion coefficient (α_V) and heat capacity (C_p) of UC predicted by the quasi harmonic approximation (QHA) method.

• Journal of the Korean Solar Energy Society
• /
• v.27 no.3
• /
• pp.87-94
• /
• 2007

In this paper, with water-LiCl-$CaCl_2-Zn(NO_3)_2$ mixture which utilizes solar energy at the evaporator heat source, a thermodynamic analysis was performed to provide design data for a double-effect absorption heating system. A comparative study of the water-LiCl-$CaCl_2-Zn(NO_3)_2$ mixture against the water-LiBr pair was conducted by a computer simulation. The computer simulation is based on mass, material and heat balance equations for each part of the system. Coefficients of performance and flow ratios for effects of different operating temperatures are investigated. It is found that the heating COP is higher for the water-LiCl-$CaCl_2-Zn(NO_3)_2$ mixture than for the water-LiBr pair, and FR is lower for the former.