• 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.54 no.5
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• pp.500-505
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• 2010

Two different dyes containing the same molecular weight but different chemical structure have been utilized for the study of thermodynamic parameters. In this study, {3-(4-(diethylamino)phenyl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)isobenzofuran-1(3H)-one} (Blue 502) and {3-(4-(diethylamino)-2-methylphenyl)-3-(1,2-dimethyl-1H-indol-3-yl)isobenzofuran-1(3H)-one} (Blue 402) were used. It has been performed by measuring UV spectra of the two dyes. In general, the blue shift has been observed from both dyes in higher carbon number alcohol solvents. Interestingly, Blue 502 showed higher stability than Blue 402 in the same conditions used in this study. And, the equilibrium constants (0.9~1.0) of the dyes depending upon temperature change were also calculated using UV absorbance. The standard enthalpy calculated from equilibrium constants and molar absorptivity($\varepsilon$) are 10.94 kJ/mol in Blue 402 and 9.010 kJ/mol in Blue 502, respectively.

• Resources Recycling
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• v.28 no.3
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• pp.15-20
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• 2019

The recovery of struvite using nitrogen and phosphorus in wastewaters is useful for prevention of eutrophication and use as fertilizer, but there are theoretical and technical issues to be resolved. Through the detailed literature review, this study discusses the possible reasonable prediction of struvite formation reaction by setting a feasible reaction equation with some theoretical considerations. In a technical aspect, the purity of struvite in solid precipitates can be promoted by excluding Ca in an effective way. As for the struvite reaction prediction issue, selection of proper equilibrium reaction as well as its reaction equilibrium coefficient is significant in the neutral and basic pH regions. The equilibrium reaction agrees well with the experimental batch test results. Considering the charge balance of the ions, the pH drop along struvite formation in a diluted solution can be predicted. Also, improvement of struvite purity through elimination of Ca can be expected by providing a highly concentrated ${NH_4}^+-N$ relative to ${HPO_4}^{2-}-P$ because ${NH_4}^+$ can enhance the thermodynamic driving force toward favorable struvite formation. Even though the phosphate reacts rapidly with Ca to form a solid precipitate, the thermodynamic driving force due to the high ${NH_4}^+$ activity can dissociate the phosphate-calcium precipitates and produce struvite.

• Clean Technology
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• v.27 no.2
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• pp.182-189
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• 2021

The adsorption of disperse yellow 3 (DY 3) on granular activated carbon (GAC) was investigated for isothermal adsorption and kinetic and thermodynamic parameters by experimenting with initial concentration, contact time, temperature, and pH of the dye as adsorption parameters. In the pH change experiment, the adsorption percent of DY 3 on activated carbon was highest in the acidic region, pH 3 due to electrostatic attraction between the surface of the activated carbon with positive charge and the anion (OH^-) of DY 3. The adsorption equilibrium data of DY 3 fit the Langmuir isothermal adsorption equation best, and it was found that activated carbon can effectively remove DY 3 from the calculated separation factor (R_L). The heat of adsorption-related constant (B) from the Temkin equation did not exceed 20 J mol^-1, indicating that it is a physical adsorption process. The pseudo second order kinetic model fits well within 10.72% of the error percent in the kinetic experiments. The plots for Weber and Morris intraparticle diffusion model were divided into two straight lines. The intraparticle diffusion rate was slow because the slope of the stage 2 (intraparticle diffusion) was smaller than that of stage 1 (boundary layer diffusion). Therefore, it was confirmed that the intraparticle diffusion was rate controlling step. The free energy change of the DY 3 adsorption by activated carbon showed negative values at 298 ~ 318 K. As the temperature increased, the spontaneity increased. The enthalpy change of the adsorption reaction of DY 3 by activated carbon was 0.65 kJ mol^-1, which was an endothermic reaction, and the entropy change was 2.14 J mol^-1 K^-1.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.12 no.2
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• pp.101-109
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• 2002

A complex chemical equilibrium analysis was performed to study the hot-wall CVD process of the SiC/C functionally gradient materials (FGM). Thermochemical calculations of the Si-C-H-Cl system were carried out, and the effects of process variables(deposition temperature, reactor pressure, C/[Si+C] and H/[Si+C] ratios in the source gas) on the composition of deposited layers and the deposition yield were investigated. The CVD phase diagrams of the SiC/C FGM deposition were obtained, and the optimum process windows were estimated from the results.

• Journal of Institute of Convergence Technology
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• v.5 no.1
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• pp.1-5
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• 2015

SI thermochemical hydrogen production process achieves water splitting into hydrogen and oxygen through three chemical reactions. The process is comprised of three sections and one of them is HI decomposition into $H_2$ and $I_2$ called as Section III. The production of $H_2$ included processes involving EED for concentrating a product stream from Section I. Additionally an $I_2$ crystallization would be considered to reduce burden on EED by removing certain amount of $I_2$ out of a process stream prior to EED. In this study, the current thermodynamic model of SI process was briefly described and the calculation results of the applied Electrolytes NRTL model for phase equilibrium calculations was illustrated for ternary systems of Section III. We calculated temperature and heat duty of an $I_2$ crystallizer and heat duty of heaters using UVa model and heat balance equation of simulation tool. The results were expected to be used as operation information in optimizing HI decomposition process and setting up material balance throughout SI process.

• Journal of the Korean Chemical Society
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• v.27 no.1
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• pp.9-17
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• 1983

The effect of pressures and temperatures on the stabilities of the durene-iodine charge transfer complex have been investigated through ultraviolet spectrophotometric measurements in n-hexane. The stabilities of complexes were measured at 25, 40 and $60^{\circ}C$ under $1{\sim}1600$ bars. The equilibrium constant of the complex was increased with pressure and decreased with temperature raising. The absorption coefficient was increased with both pressure and temperature. Changes of volume, enthalpy, free energy and entropy for the formation of complexes were obtained 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 functions.

• Journal of Korean Society for Atmospheric Environment
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• v.23 no.E1
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• pp.10-15
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• 2007

The gas hydrates are probably most sensitive to climate change since they are stable only under specific conditions of high pressure and low temperature. One of the main factors responsible for formation of gas hydrates is the saturation of the gases with water vapor. Quantitative phase equilibrium data and understanding of the roles of water component in the phase behavior of the heterogeneous water-hydrocarbon-hydrate mixture are of importance and of engineering value. In this study, the water content of ethylene gas in equilibrium with hydrate and water phases were analyzed by theoretical and experimental methods at temperatures between 274.15 up to 291.75 K and pressures between 593.99 to 8,443.18 kPa. The experimental and theoretical enhancement factors (EF) for the water content of ethylene gas and the fugacity coefficients of water and ethylene in gas phase were determined and compared with each other over the entire range of pressure carried out in this experiment. In order to get the theoretical enhancement factors, the modified Redlich-Kwong equation of state was used. The Peng-Robinson equations and modified Redlich-Kwong equations of state were used to get the fugacity coefficients for ethylene and water in the gas phase. The results predicted by both equations agree very well with the experimental values for the fugacity coefficients of the compressed ethylene gas containing small amount of water, whereas, those of water vapor do not in the ethylene rich gas at high temperature for hydrate formation locus.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.27 no.9
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• pp.1273-1281
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• 2003

The present study is mainly motivated to investigate the vaporization, auto-ignition, and combustion of liquid fuel spray injected into high pressure environment. The unsteady, multi-dimensional models were used for realistic simulation of spray as well as prediction of accurate ignition delay time. The Separated Flow (SF) model which considers the finite rate of transport between liquid and gas phases was employed to represent the interactions between spray and gas field. Among the SF models, the Discrete Droplet Model (DDM) which simulates the spray using finite number of representative samples of discrete droplets was adopted. The Eulerian-Lagrangian formulation was used to analyze the two-phase interactions. In order to predict an evaporation rate of droplet in high pressure environment, the high pressure vaporization model was applied using thermodynamic equilibrium and phase equilibrium at droplet surface. The high pressure effect as well as high temperature effect was considered in the calculation of liquid and gas properties. In case of vaporization, an interaction between droplets was studied through the simulation of spray. The interaction is shown up differently whether the ambient gas field is at normal pressure or high pressure. Also, the characteristics of spray behavior in high pressure environment were investigated through the comparison with normal ambient pressure case. In both cases, the spray behaviors are simulated through the distributions of temperature and reaction rate in gas field.

• Proceedings of the KSME Conference
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• 2003.11a
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• pp.127-132
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• 2003

A study of high-pressure n-heptane droplet vaporization is conducted with emphasis placed on equilibrium at vapor-liquid interface. General frame of previous rigorous model[1] is retained but tailored for flash equilibrium calculation of vapor-liquid interfacial thermodynamics. The model is based on complete time-dependent conservation equations with a full account of variable properties and vapor-liquid interfacial thermodynamics. The influences of high-pressure phenomena, including ambient gas solubility, thermodynamic non-ideality, and property variation on the droplet evaporation are investigated. The governing equations and associated moving interfacial boundary conditions are solved numerically using a implicit scheme with the preconditioning method and the dual time integration technique. And a parametric study of entire droplet vaporization history as a function of ambient pressure, temperature has been conducted. Some computational results are compared with Sato's experimental data for the validation of calculations. For low ambient temperatures, the droplet lifetime first increases with pressures, then decreases for high pressures. For higher ambient temperatures, the droplet lifetime increase with less amplitude than that of low ambient temperatures, which then decreases with more amplitude than that of low temperatures. The solubility of nitrogen can not be neglected in the high pressure and it becomes higher as the pressure goes up.