• 한국물환경학회지
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• 제23권2호
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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.

• 방사성폐기물학회지
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• 제21권3호
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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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• 제56권2호
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• pp.222-228
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• 2018

석유화학산업의 대표적인 물질로 쓰이는 벤젠은 각종 화학 제품의 기초 물질이다. 그러나 일반적으로 벤젠은 석유화학 산업에서 순수 물질로 존재하지 못하고 알코올류와 벤젠 혼합물로 존재하게 된다. 또한 알코올을 한 성분으로 하는 혼합물은 공비 혼합물이 생성되기 때문에 분리 정제를 위해서는 상평형 데이터가 필수적이다. 본 연구에서는 알코올을 대표하는 1-프로판올을 사용하여 1-프로판올/벤젠 계에 대하여 재순환 평형장치를 이용하여 평형 온도/압력 효과에 따른 상평형 연구를 수행하였다. 측정된 기-액 평형 데이터는 UNIQUAC 식과 WILSON 식을 이용하여 상관관계 시키고 Gibbs/Duhem식을이용하여열역학적건전성을확인하였다. 상평형실험결과 RMSE (Root Mean Square Error)와 AAD (Average Absolute Deviation)는 두 모델식에서 0.05 이하의 값을 보여 실험값과 계산 값이 잘 일치함을 알 수 있었다. 또한 Gibbs/Duhem식을 이용하여 열역학적 건전성을 판별한 결과 잔류항 값이 ${\pm}0.2$ 이내에 분포하는 것을 통해 데이터에 대한 건전성을 확인할 수 있었다.

• Journal of Advanced Marine Engineering and Technology
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• 제28권3호
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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.

• 대한전기학회논문지
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• 제45권3호
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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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• 제3권4호
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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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• 제12권3호
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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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• 제33권10호
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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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• 제24권7호
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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.

• 공학논문집
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• 제6권2호
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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.