• Bulletin of the Korean Chemical Society
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• v.7 no.6
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• pp.448-453
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• 1986

Two contributions to the activation barrier of the $S_N2$ reaction, intrinsic and thermodynamic, are discussed in connection with the predictive power of various rate-equilibrium relationships. It has been shown that the PES models can only give correct predictions of changes in structure and energy of the transition state if the activation barrier is dictated by the thermodynamic factor. We concluded that the identity and dissociative $S_N2$ reactions are dominated by the intrinsic component while associative $S_N2$ reactions are predominantly of thermodynamic controlled. Thus in the former cases, the PES models fail, whereas in the latter cases predictions based on the intrinsic factor, the quantum mechanical models, fail. Finally in a general case of equal contributions by thermodynamic and intrinsic factors, the $SN_2$ reaction proceeds by a synchronous process with zero net charge on the reaction center, for which predictions of substituent effects will be the same as for the intrinsic control case.

• Korean Chemical Engineering Research
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• v.61 no.1
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• pp.116-122
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• 2023

We study the relationship of entropy with the properties of molecules and also with the macroscopic specifications of the system, i.e., component and phase. Understanding different viewpoints of classical mechanics and quantum mechanics for the indistinguishability of molecules belonging to the same component, we discuss a few thermodynamic systems in which the properties of molecules are to be consistent with the component as a macroscopic term of classifying the molecules. With a clear definition of thermodynamic microstate, the drawback of the Boltzmann statistics caused by the distinguishability of molecules is avoided, and the Gibbs paradox of entropy consequently disappears. Corresponding to the characteristics of fluid and solid phases, we investigated the effects of the indistinguishability and the symmetry number of molecules and the number of microstates realized in time on the partition function and the entropy. In particular, we show that crystalline solid can be regarded as a system which does not satisfy the ergodic hypothesis.

• Journal of the Korean Chemical Society
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• v.35 no.4
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• pp.308-315
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• 1991

The structure and thermodynamic properties of body centered cubic structure of simple Coulombic liquids are computed from the perturbation theory for one-component plasma. A comparison of perturbation theory (PT) and Monte Carlo (MC) simulation shows excellent agreement. The hardsphere perturbation theory is applicable to a long-range attractive system, such as the one-component plasma. A comparison of the radial distribution function (g(r)) and the structure factor (S(q)) for PT data and MC data shows agreement. Thus the perturbation theory is an applicable method to explain the structure and thermodynamic properties of Coulomb liquids.

• Atmosphere
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• v.34 no.3
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• pp.257-271
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• 2024

In 2023, the World Meteorological Organization released a report on climate conditions in Asia, highlighting the region's high vulnerability to floods and the increasing severity and frequency of extreme precipitation events. While previous studies have largely concentrated on broader-scale phenomena such as the Asian monsoon, it is crucial to investigate the substantial characteristics of extreme precipitation for a better understanding. In this study, we analyze the spatiotemporal characteristics of extreme precipitation during summer and their affecting factors by decomposing the moisture budgets within specific Asian regions over 44 years (1979~2022). Our findings indicate that dynamic convergence terms (DY CON), which reflect changes in wind patterns, primarily drive extreme rainfall across much of Asia. In southern Asian sub-regions, particularly coastal areas, extreme precipitation is primarily driven by low-pressure systems, with DY CON accounting for 70% of the variance. However, in eastern Asia, both thermodynamic advection and nonlinear convergence terms significantly contribute to extreme precipitation. Notably, on the Korean Peninsula, thermodynamic advection plays an important role, driven by substantial moisture carried by strong southerly mean flow. Understanding these distinct characteristics of extreme rainfall across sub-regions is expected to enhance both predictability and resilience.

• Solar Energy
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• v.9 no.3
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• pp.73-80
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• 1989

This paper presents as assessment based on steady-state thermodynamic analysis and computer modeling of a double effect generation absorption heating cycle for solar air-conditioning to find operating temperature ranges. The influences of component temperatures on the heating coefficients of performance and mass flow ratio have been investigated to obtain optimum operating conditions for the proposed air conditioning system. And the single and double effect absorption cycles are compared with each other over the same range of temperatures.

• Journal of Industrial Technology
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• v.18
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• pp.267-275
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• 1998

Continuous thermodynamics has been applied for modeling of phase equilibria in multicomponent mixtures, to avoid disadvantages of the pseudo-component and key-component method. In this paper continuous thermodynamic relations formulated by using the Pate-Teja equation of state were adopted for calculations of phase equilibria in natural gas mixtures, crude oil mixtures and mixtures extracted by supercritical $CO_2$ fluids. Calculations of phase equilibria were performed by two procedures ; a moment method coupled with the beta distribution function and a quadrature method combined with Gaussian-Legendre polynomials. Calculated results were compared with experimental data. It was showed that continuous thermodynamic frameworks considered in this paper were well-matched to experimental 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.

• Journal of the Korean Chemical Society
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• v.6 no.2
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• pp.133-142
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• 1962

This study was carried out to investigate the lead-bismuth-sodium ternary system which a basis of the Dittmer method as a part of "the fundamental study of pyrometallurgical debismuthizing of lead". Thermodynamic properties of each liquid Pb-Bi, Pb-Na binaries as well as liquid Pb-Bi-Na ternary solution were measured by e.m.f. of these concentration cells, and those of each component were also determined. Furthermore, iso-activity lines including Pb rich side composition of Pb-Bi-Na ternary solution were determined. The relationship between those thermodynamic characteristics and tendency of intermetallic compound formation was discussed through the above experiments.

• Journal of the Korean Society of Safety
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• v.7 no.3
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• pp.53-59
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• 1992

A general theory is developed which enables closed-cup flash points of mixtures of flammable and non-flammable liquid to be estimated from a knowledge of a certain properties of flammability diagram by thermodynamic method. The estimated equations is shown the effect of both the flame inhibiting properties of the vapor of the non-flammable component and the relative volatility of that component. The vapor phase flame inhibition effect results in a even greater elevation of flash points than the rotative volatility of that component. Especially in cases of similar vapor phase flame inhibition of the non-flammable component, the rotative volatility is affected greater elevation of flash points(extinguishing effect).

• International Journal of Naval Architecture and Ocean Engineering
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• v.5 no.4
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• pp.529-545
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• 2013

Strong restrictions on emissions from marine power plants (particularly $SO_x$, $NO_x$) will probably be adopted in the near future. In this paper, a combined solid oxide fuel cell (SOFC) and gas turbine fuelled by natural gas is proposed as an attractive option to limit the environmental impact of the marine sector. It includes a study of a heat-recovery system for 18 MW SOFC fuelled by natural gas, to provide the electric power demand onboard commercial vessels. Feasible heat-recovery systems are investigated, taking into account different operating conditions of the combined system. Two types of SOFC are considered, tubular and planar SOFCs, operated with either natural gas or hydrogen fuels. This paper includes a detailed thermodynamic analysis for the combined system. Mass and energy balances are performed, not only for the whole plant but also for each individual component, in order to evaluate the thermal efficiency of the combined cycle. In addition, the effect of using natural gas as a fuel on the fuel cell voltage and performance is investigated. It is found that a high overall efficiency approaching 70% may be achieved with an optimum configuration using SOFC system under pressure. The hybrid system would also reduce emissions, fuel consumption, and improve the total system efficiency.