• Journal of Korean Society on Water Environment
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• v.23 no.2
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• pp.222-227
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• 2007

The adsorption features of fluoride ion on the oyster shell have been investigated for the purpose of the employment of waste oyster shell as an adsorbent for the treatment of fluoride ion-containing wastewater. The major component of oyster shell was examined to be Ca with minor components of Na, Si, Mg, Al, and Fe. As the initial concentration of fluoride ion was raised, its absorbed amount was enhanced at equilibrium, however, the adsorption ratio of fluoride ion compared with its initial concentration was shown to be decreased. Also, adsorption of fluoride ion onto the oyster shell resulted in the formation of $CaF_2$ in the morphological structure of adsorbent. Kinetic analysis showed that the adsorption reaction of fluoride ion generally followed a second order reaction with decreasing rate constant with the initial concentration of adsorbate. Freundlich model agreed well with the adsorption behavior of fluoride ion at equilibrium and the adsorption reaction of fluoride ion was examined to be endothermic. Several thermodynamic parameters for the adsorption reaction were calculated based on thermodynamic equations and the activation energy for the adsorption of fluoride ion onto oyster shell was estimated to be ca. 13.589 kJ/mole.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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• v.21 no.3
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• pp.397-410
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• 2023

This study examined the efficacy of various chlorinating agents in partitioning light water reactor spent fuel, with the aim of optimizing the chlorination process. Through thermodynamic equilibrium calculations, we assessed the outcomes of employing MgCl₂, NH₄Cl, and Cl₂ as chlorinating agents. A comparison was drawn between using a single agent and a sequential approach involving all three agents (MgCl₂, NH₄Cl, and Cl₂). Following heat treatment, the utilization of MgCl₂ as the sole chlorinating agent resulted in a moderate separation. Specifically, this method yielded a solid separation with 96.9% mass retention, 31.7% radioactivity, and 44.2% decay heat, relative to the initial spent fuel. In contrast, the sequential application of the chlorinating agents following heat treatment led to a final solid separation characterized by 93.1% mass retention, 5.1% radioactivity, and 15.4% decay heat, relative to the original spent fuel. The findings underscore the potential effectiveness of a sequential chlorination strategy for partitioning spent fuel. This approach holds promise as a standalone technique or as a complementary process alongside other partitioning processes such as pyroprocessing. Overall, our findings contribute to the advancement of spent fuel management strategies.

• Korean Chemical Engineering Research
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• v.56 no.2
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• pp.222-228
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• 2018

Benzene is one of the most widely used basic materials in the petrochemical industry. Generally, benzene exists as a mixture with alcohols rather than as a pure substance. Further, the alcohols-added mixtures usually exhibit an azeotropic composition. In this context, knowledge of the phase equilibrium behavior of the mixture is essential for its separation and purification. In this study, the vapor-liquid equilibrium data were measured in favor of a recirculating VLE apparatus under constant pressure for the 1 - propanol / benzene system. The measured vapor - liquid equilibrium data were also correlated by using the UNIQUAC and WILSON models and the thermodynamic consistency test based on the Gibbs/Duhem equation was followed. The results of the phase equilibrium experiment revealed RMSEs (Root Mean Square Error) and AADs (Average Absolute Deviation) of less than 0.05 for both models, indicating a good agreement between the experimental value and the calculated value. The results of the thermodynamic consistency test also confirmed through the residual term within ${\pm}0.2$.

• Journal of Advanced Marine Engineering and Technology
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• v.28 no.3
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• pp.441-450
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• 2004

The velocity distribution of gas molecules from the experimental results was confirmed as the same with the Maxwell-Boltzmann's theoretical results within the experimental error. This study is on the realization of the Maxwell-Boltzmann's velocity distribution of gas molecules by the molecular dynamics(MD) method. The Maxwell-Boltzmann's velocity distribution of gas molecules is extremely important to confirm the equilibrium state because the properties of a thermodynamic system shall be obtained from the system's equilibrium configuration in the MD method. This study is the first trial in the successive researches to calculate the properties of a thermodynamic system by the computer simulations. We confirmed that the maxwell-boltzmann's velocity distribution is developed in some transient time after starting a simulation and dependent on the size of a system. Also it is found that the velocity distribution has no relation with an initial configuration of gas molecules.

• The Transactions of the Korean Institute of Electrical Engineers
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• v.45 no.3
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• pp.415-425
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• 1996

This study presents an analytical method of solving the behaviors of arc plasma in a nozzle constricting transferred-type torch and purposes to obtain the basic data for the design of a plasma torch, which can be obtained from the temperature, pressure, velocities and voltage distributions. We have to solve some conservation equations simultaneously and need to know the exact thermal gas properties in order to obtain the correct behaviors of arc plasma. It is also necessary to give the relevant physical or geometric boundary conditions. For the simplicity of analysis, we assumed that (a) the plasma flow is laminar, (b)the local thermodynamic equilibrium, i.e. LTE, prevails over the entire arc column region. The electrode sheath effects were neglected and the nozzle area was excluded from the analysis by assuming that the current flow into the nozzle is zero. We solved the momentum transfer equation including the self-magnetic pinch effect, and obtained the temperature distribution from the energy conservation equation. From this temperature, we could get arc voltage distribution. (author). refs., figs., tabs.

• Bulletin of the Korean Chemical Society
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• v.3 no.4
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• pp.133-139
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• 1982

It has been presumed that the molten sulfur above $159^{\circ}C$ consists of an equilibrium mixture of $S_8$ rings and $S_x$ polymers where the number average degree of polymerization, P, is large. But it is known that admixture of halogens with liquid sulfur greatly reduce the viscosity. Constructing a new equilibrium equation, it is possible to evaluate the viscosity when halogens are added to liquid sulfur. Calculated viscosity is in good agreement with experimental values. Using the proposed model, the thermodynamic properties of liquid sulfur are also calculated over a wide range of temperature which the sulfur exists as the polymer.

• Carbon letters
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• v.12 no.3
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• pp.143-151
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• 2011

Bagasse fly ash (BFA) is one of the important wastes generated in the sugar industry; it has been studied as a prospective low-cost adsorbent in the removal of congo red (CR) from aqueous solutions. Chemical treatment with $H_2O_2$ was applied in order to modify the adsorbability of the raw BFA. Batch studies were performed to evaluate the influence of various experimental parameters such as dye solution pH, contact time, adsorbent dose, and temperature. Both the adsorbents were characterized by Fourier-transform infrared spectrometer, energy-dispersive X-ray spectrophotometer and nitrogen adsorption at 77 K. Equilibrium isotherms for the adsorption of CR were analyzed by Langmuir, Freundlich and Temkin models using non-linear regression technique. Intraparticle diffusion seems to control the CR removal process. The obtained experimental data can be well described by Langmuir and also followed second order kinetic models. The calculated thermodynamic parameters indicate the feasibility of the adsorption process for the studied adsorbents. The results indicate that BFA can be efficiently used for the treatment of waste water containing dyes.

• Bulletin of the Korean Chemical Society
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• v.33 no.10
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• pp.3184-3190
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• 2012

Color impurity in industrial effluents pose a significant risk to human health and the environment, so much effort has been expended to degrade them using various methods, including the use of clay minerals as adsorbent. The purpose of this study was to advance understanding of the mechanisms for the removal of methylene blue (MB) from aqueous solutions onto montmorillonite as an adsorbent. Preliminary experiments showed that montmorillonite was effective for this purpose and adsorption equilibrium could be reached in about 24 h. Adsorption capacity of the clay decreased with increase in temperature and ionic strength, and increased with in pH. The fitness of equilibrium data to common isotherm equations such as the Langmuir, Freundlich, Elovich, Temkin and Dubinin-Radushkevich were tested. The Langmuir equation fitted to equilibrium data better than all tested isotherm models. Thermodynamic activation parameters such as ${\Delta}G^0$, ${\Delta}S^0$ and ${\Delta}H^0$ were also calculated and results were evaluated. As result montmorillonite clay was found as effective low cost adsorbent for removal of cationic dyes from waste waters.

• Bulletin of the Korean Chemical Society
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• v.24 no.7
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• pp.931-936
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• 2003

By the use of multi-loop thermodynamic boxes developed here by us, we show that models of enzyme catalysis (e.g., split-site model) developed in an attempt to emphasize the importance of the reactant-state destabilization and, thus, demonstrate misleading nature of the fundamentalist position which defines Pauling's transition-state stabilization as the entire and sole source of enzyme catalytic power, should be reduced to the fundamentalist formulation which completely neglects dynamical aspects of mechanism between the reactant and the transition states and dwells only on events restricted to the reactant and transition states alone, because the splitsite (and other canonical) formulations as well as fundamentalist formulations are based, in common, on equilibrium assumptions stipulated by the thermodynamic box logics. We propose to define the equilibrium assumptions as the requisite and sufficient conditions for the fundamentalist position to enjoy its primacy as central dogma, but not as sufficient conditions for its validity, because it is subjected to contradictions presented by existing data.

• The Journal of Engineering Research
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• v.6 no.2
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• pp.85-98
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• 2004

The adsorption equilibrium data for the binary gas mixture system from the pure gas adsorption data of carbon dioxide and ethylene on ZSM-5 prepared were predicted. The binary gas mixture adsorption data have been examined against predicted values by two models-the vacancy solution model(VSM) and the statistical thermodynamic model(STM), using parameters obtained from the single component isotherm. The binary gas mixture data for the carbon dioxide-ethylene system were obtained for cation exchanged forms of ZSM-5 for the gas phase carbon dioxide mole fraction of 0.752 at $37^{\circ}C$ and 1 atm. The experimental adsorption phase diagrams were obtained for carbon dioxide-ethylene on sodium form ZSM-5 synthesized. The single component adsorption isotherms for carbon dioxide and ethylene were also obtained for this zeolite. The single component data were used to obtain parameters derived in two models. These parameters were, in turn, used to predict the binary mixture isotherms for this zeolite. Both the vacancy solution and the statistical thermodynamic models give satisfactory predictions of adsorption phase diagrams for the binary gas mixtures of carbon dioxide and ethylene on sodium exchanged ZSM-5. Also the correlation between the experimental data and the predicted values is generally in good agreement. The system appears to show ideal behavior with a relatively constant separation factor. The slight increase in adsorption capacity with an increase in ionic radius is due, in part, to the higher polarizability associated with larger cations.