• 한국신재생에너지학회:학술대회논문집
• /
• 2007.06a
• /
• pp.477-480
• /
• 2007

Hydrate phase equilibrium for the binary CO2+water and CH4+water mixtures in silica gel pore of nominal 6, 30, and 100 nm were measured and compared with the cacluated results based on van der Waals and Platteeuw model. At a specific temperature three-phase hydrate-water-vapor (HLV) equilibrium curves for pore hydrates were shifted to the higher-pressure condition depending on pore sizes when compared with those of bulk hydrates. Notably, hydrate phase equilibria for the case of 100 nominal urn pore size were nealy identical with those of bulk hydrates. The activities of water in porous silica gels were modified to account for capillary effect, and the calculation results were generally in good agreement with the experimental data.

• New & Renewable Energy
• /
• v.3 no.2 s.10
• /
• pp.47-52
• /
• 2007

Hydrate phase equilibrium for the binary $CO_{2}$+water and $CH_{4}$+water mixtures in silica gel pore of nominal 6, 30, and 100 nm were measured and compared with the cacluated results based on van der Waals and Platteeuw model. At a specific temperature three-phase hydrate-water-vapor (HLV) equilibrium curves for pore hydrates were shifted to the higher-pressure condition depending on pore sizes when compared with those of bulk hydrates. Notably, hydrate phase equilibria for the case of 100 nominal nm pore size were nearly identical with those of bulk hydrates. The activities of water in porous silica gels were modified to account for capillary effect, and the calculation results were generally in good agreement with the experimental data.

• Bulletin of the Korean Chemical Society
• /
• v.19 no.2
• /
• pp.218-222
• /
• 1998

Removal of Cd(Ⅱ), Zn(Ⅱ) and Cu(Ⅱ) from aqueous solutions using the adsorption process on magadiite has been investigated. It was found that the removal percentage of metal cations at equilibrium increases with increasing temperature, and follows the order of Cd(Ⅱ) > Cu(Ⅱ) > Zn(Ⅱ). Equilibrium modeling of adsorption showed that the adsorptions of Cd(Ⅱ), Cu(Ⅱ), and Zn(Ⅱ) were fitted to Langmuir isotherm. Kinetic modeling of the adsorption showed that first order reversible kinetic model fitted to experimental data. From kinetic model and equilibrium data, the overall rate constant (k) and the equilibrium constant (K) for the adsorption process were calculated. The overall rates of adsorption of metal ions follow the order of Cd(Ⅱ) > Cu(Ⅱ) > Zn(Ⅱ). From the results of thermodynamic analysis, standard Gibbs free energy (ΔG°), standard enthalpy (ΔH°), and standard entropy (ΔS°) of adsorption process were calculated.

• Applied Chemistry for Engineering
• /
• v.24 no.3
• /
• pp.327-332
• /
• 2013

Batch experiments were carried out for adsorption equilibrium, kinetics and thermodynamic parameters of the brilliant brown R onto granular activated carbon. The operating variables studied were the initial dye concentration, contact time and temperature. Experimental equilibrium adsorption data were fitted to Langmuir and Freundlich adsorption isotherm by linear regression method. The equilibrium process was well described by Freundlich isotherm model and from the determined separation factor (1/n), granular activated carbon could be employed as an effective treatment for the removal of bismarck brown R. From kinetic experiments, the adsorption processes were found to confirm the pseudo second order model with a good correlation and the adsorption rate constant ($k_2$) increased with increasing adsorption temperature. Thermodynamic parameters like the activation energy, change of Gibbs free energy, enthalpy, and entropy were also calculated to predict the nature of adsorption in the temperature range of 298~318 K. The activation energy was determined as 8.73 kJ/mol for 100 mg/L. It was found that the adsorption of bismarck brown R on the granular activated carbon was physical process. The negative Gibbs free energy change (${\Delta}G$ = -2.59~-4.92 kJ/mol) and the positive enthalpy change (${\Delta}H$ = +26.34 kJ/mol) are indicative of the spontaneous and endothermic nature of the adsorption process.

• Journal of the Korean Chemical Society
• /
• v.23 no.4
• /
• pp.187-197
• /
• 1979

The molar optical rotation of poly(cis-5-methylproline) was measured in solvent mixtures of chloroform and chloroethanol. After proper allowance for time-dependent mutarota-tions, equilibrium states between form A and form B were observed to occur with a solvent composition of 0.5~10 % chloroethanol in chloroform by volume. From the equilibrium constants, which were calculated by optical rotations at equilibrium measured at three different temperatures (5, 25, and 45 $^{circ}$C), the thermodynamic parameters-free enthalpy, enthalpy and entropy changes for the mutarotation-were evaluated. It was found that starting with equimolar concentrations of form A and form B, the forward mutarotation occurred in the solvent compositions of chloroethanol greater than 3 % by volume, whereas the reverse mutarotation resulted in solvent compositions of chloroethanol less than 3 % by volume. The changes in enthalpy and entropy for the forward mutarotation were found to be positive, while those were for the reverse mutarotation were negative. The driving forces for the forward mutarotation were found to be the increase in entropy, whereas that for the reverse mutarotation was the negative enthalpy change. The thermodynamic data were explained by the interaction between polymer and solvent, i.e., preferential hydrogen bonding of chloroethanol with the carbonyl group in form B over form A, and by difference in conformational energies between form A and form B.

• Analytical Science and Technology
• /
• v.22 no.2
• /
• pp.159-165
• /
• 2009

The thermochromism of fluoran has been examined. The DCF exists as a colorless lactone in aprotic solvents. However, the DCF exists in the form of an equilibrium mixture of a colored zwitter-ion and a colorless lactone in protic solvents. When an acid is added to the solution, the DCF exists an equilibrium mixture as a colorless lactone and a colored cation even in aprotic solvents. In order to understand the interaction between the DCF and the solvent, absorption spectra of the DCF in various solvents were measured. The thermodynamic parameters of the DCF have also been investigated. From the variation of absorbance with temperature, the standard enthalpy changes ${\Delta}H^0$ of the equilibrium between the lactone and the zwitter-ion in various solvents have been determined. The standard enthalpy change ${\Delta}H^0$ is approximately -2.0 kJ/mol in protic solvents. In acidic solution, the standard enthalpy change is measured to be to zero in protic solvents within the experimental error. When the carboxylic group is protonated in acidic solution, a poor interaction between the dye and the solvent is expected.

• Journal of the Korean Applied Science and Technology
• /
• v.18 no.4
• /
• pp.325-331
• /
• 2001

The critical micelle concentration (CMC) at which micelles start to form from a surfactant solution is usually measured in terms of conventional concentration units. However, the thermodynamic potentials are expressed in terms of mole fraction $X_{CMC}$ and $X_{CMC}$ cannot be directly measured experimentally. The Gibbs free energy, ${\Delta}G^{\ast}_{mic}$, in particular is related to $X_{CMC}$ through ${\Delta}G^{\ast}_{mic}$ = $RTlnX_{CMC}$. When it comes to CMC, the molar CMC, $C_{CMC}$, differs only by the proportionality $C^{-1}_{w}$ with $C_{w}$ being the molarity of water. Hence, $C_{CMC}$ is found to be a proper representation of CMC. However, in calculation of ${\Delta}G^{\ast}_{mic}$ and other thermodynamic potentials from the CMC, $X_{CMC}$ or $C_{CMC}/C_{w}$ should be used.

• Korean Chemical Engineering Research
• /
• v.62 no.2
• /
• pp.173-180
• /
• 2024

Under ordinary atmospheric circumstances, the gravimetric technique was used to measure the solubility of L-cysteine (L-Cys) and L-alanine (L-Ala) in various solvents, including methyl alcohol, ethyl acetate, and mixtures of the two, in the range o 283.15 K to 323.15 K. Both individual solvents and their combinations showed a rise in the solubility of L-Cys and L-Ala with increasing temperature, according to the analyzed data but when analyzed at a constant temperature in the selected mixed solvents, the solubility declined with decreasing of initial mole fractions of methyl alcohol. To further assess, the relative utility of the four solubility models, we fitted the solubility data using the Jouyban-Acree (J-A), van't Hoff-Jouyban-Acree (V-J-A), Apelblat-Jouyban-Acree (A-J-A), and Ma models followed by evaluation of the values of the RAD information criteria and the RMSD were. The dissolution was also found to be an entropy-driven spontaneous mixing process in the solvents since the thermodynamic parameters of the solvents were determined using the van't Hoff model. In order to support the industrial crystallization of L-cysteine and L-alanine and contribute to future theoretical research, we have determined the experimental solubility, correlation equations, and thermodynamic parameters of the selected amino acids during the dissolution process.

• Proceedings of the Korean Radioactive Waste Society Conference
• /
• 2004.06a
• /
• pp.105-114
• /
• 2004

This study investigated the thermal behavior of the nuclear graphite waste generated from the decommissioning of the Korean nuclear research reactor, The first part study investigated the decomposition rate of the nuclear graphite waste up to $1000^{\circ}C$ under various oxygen partial pressures using a thermo-gravimetric analyzer (TGA). Tested graphite waste sample not easily destroyed in the oxygen-deficient condition. However, the gas-solid oxidation reaction was found to be very effective in the presence of oxygen. No significant amount of the product of incomplete combustion was formed even in the limited oxygen concentration of 4% $O_2$. The influence of temperature and oxygen partial pressure was evaluated by the theoretical model analysis of the thermo-gravimetric data. The activation energy and the reaction order of graphite oxidation were evaluated as 128 kJ/mole and 1.1, respectively. The second part of this study investigated the behavior of radioactive elements under graphite oxidation atmosphere using thermodynamic equilibrium model. $^{22}Na$, $^{134}Cs$ and $^{137}Cs$ were found be the semi-volatile elements. Since volatile uranium species can be formulated at high temperatures above $1050^{\circ}C$, the temperature of incinerator furnace should be minimized. Other corrosion/activation products, fission products and uranium were found to be the non-volatile species.

• Transactions of the Korean hydrogen and new energy society
• /
• v.13 no.1
• /
• pp.42-51
• /
• 2002

Methane can be converted directly to hydrogen by pyrolysis. The reaction is highly endothemic and heat must be supplied at high temperatures. Gibbs free energy minimization calculations have been carried out for the methane pyrolysis to determine equilibrium products. The calculation parameters are the temperature, the initial H/C ratio, the pressure and Gibbs energies of each substance. Methane, ethylene, acetylene, benzene, naphthalene, and hydrogen are the main products. Excluding hydrogen, it is observed that ethylene and aromatics(benzene+naphthalene) are predominant products below 1400K, whereas acetylene is significantly formed above 1400K. Hydrogen dilution increases the selectivities for ethylene and acetylene and decreases the selectivity for aromatics. Increasing the pressure also decreases the decomposition of methane.