• 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.

• Atmosphere
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• v.25 no.2
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• pp.249-260
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• 2015

The changes in thermodynamic and dynamic aspects on near (2025~2049) and long-term (2075~2099) future climate changes between the historical run (1979~2005) and the Representative Concentration Pathway (RCP) 4.5 run with 20 coupled models which employed in the phase five of Coupled Model Inter-comparison Project (CMIP5) over East Asia (EA) and the Korean Peninsula are investigated as an extended study for Moon et al. (2014) study noted that the 20 models' multi-model ensemble (MME) and best five models' multi-model ensemble (B5MME) have a different increasing trend of precipitation during the boreal winter and summer, in spite of a similar increasing trend of surface air temperature, especially over the Korean Peninsula. Comparing the MME and B5MME, the dynamic factor (the convergence of mean moisture by anomalous wind) and the thermodynamic factor (the convergence of anomalous moisture by mean wind) in terms of moisture flux convergence are analyzed. As a result, the dynamic factor causes the lower increasing trend of precipitation in B5MME than the MME during the boreal winter and summer over EA. However, over the Korean Peninsula, the dynamic factor causes the lower increasing trend of precipitation in B5MME than the MME during the boreal winter, whereas the thermodynamic factor causes the higher increasing trend of precipitation in B5MME than the MME during the boreal summer. Therefore, it can be noted that the difference between MME and B5MME on the change in precipitation is affected by dynamic (thermodynamic) factor during the boreal winter (summer) over the Korean Peninsula.

• Journal of the Korean Vacuum Society
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• v.8 no.3A
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• pp.181-186
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• 1999

The diffusion of oxygen atoms on tungsten (110) surface is studied by comparison of experiment results and recent calculations. It has been suggested that the thermodynamic factor which is inversely proportional to be compressibility has strong temperature dependence which may cause non-Arrhenius behavior of diffusion coefficient. Recent experiments, however, indicate effectively no temperature dependence of this factor and support the view that non-Arrhenius behavior originates from the dynamic factor rather than the thermodynamic factor. Discrepancies in coverage dependence of physical quantities between theory and experiment are discussed.

• Journal of Advanced Marine Engineering and Technology
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• v.40 no.6
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• pp.476-483
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• 2016

An organic Rankine cycle for ocean thermal energy conversion system is a generating cycle using the temperature difference between surface water and deep water of the ocean. The working fluid is an important factor in the thermodynamic performance of an organic Rankine cycle. There is pinch point analysis as thermodynamic analysis of an organic Rankine cycle. This study performed a thermodynamic performance analysis according to variation in the pinch point temperature difference in heat exchangers and variation of outlet temperature of heat source and heat sink. It analyzed the thermodynamic performance by applying seven types of simple working fluids in a simple Rankine cycle for ocean thermal energy conversion that was designed according to pinch point analysis. As a result of the performance analysis, cycle irreversibility and total exergy destruction factor more decreased, and second law efficiency more increased in the lower pinch point temperature difference and temperature variation of heat source and heat sink in heat exchangers. In addition, the irreversibility changed greatly at a point that occurred in the thermodynamic variation. Among the selected working fluids, RE245fa2 showed the best thermodynamic performance, and the performance of all working fluids was observed to be similar. It needs a strict theoretical basis about diverse factors with thermodynamic performances in selecting heat exchangers and working fluids.

• Journal of the Korean Society of Propulsion Engineers
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• v.26 no.5
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• pp.24-34
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• 2022

In order to predict the cooling performance of a regenerative cooling channel using hydrocarbon fuel operating in the supercritical region, it is essential to predict the thermodynamic properties. In this study, a comparative analysis was performed on two-parameter equations of state (SRK(Soave-Redlich-Kwong), PR(Peng-Robinson) equations of state) and three-parameter equations of state (RK-PR equations of state) to appropriately predict density and specific heat according to the critical compressibility factor of polymer hydrocarbons. Representatively, n-dodecane fuel with low critical compressibility factor and JP-10 fuel with high critical compressibility factor were selected, and an appropriate equation of state was presented when predicting the thermodynamic properties of the two fuels. Finally, the prediction results of density and specific heat were compared and verified with NIST REFPROP data.

• Bulletin of the Korean Chemical Society
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• v.21 no.1
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• pp.105-109
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• 2000

High-performance liquid chromatography is suitable for getting thermodynamic information about solute-solvent interactions. We used a squalane impregnated $C_{18}$ phase as a presumably bulk-like stationary phase to secure a simple partition mechanism for solute retention in reversed phase liquid chromatographic system. We measured retention data of some selected solutes (benzene, toluene, ethylbenzene, propylbenzene, butylbenzene, phenol, benzylalcohol, phenethylalcohol, benzylacetone, acetophenone, benzonitrile, benzylcyanide) at 25, 30, 35, 40, 45, and 50 $^{\circ}C$ in 30/70, 40/60, 50/50, 60/40 and 70/30 (v/v%) acetonitrile/water eluents. The van't Hoff plots were nicely linear, thus we calculated dependable thermodynamic values such as enthalpies and entropies of solute transfer from the mobile phase to the stationary phase based on more than four retention measurements on different days (or weeks). We found that the cavity formation effect was the major factor in solute distribution between the mobile and stationary phases in the system studied here. Our data were com-pared with some relevant literature data.

• Journal of the Korean Electrochemical Society
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• v.12 no.1
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• pp.1-10
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• 2009

This article reviewed transport behaviours of electroactive species in ionic compounds, focusing on chemical diffusion of Li through the transition metal oxide in a current flowing condition. For this purpose, a distinction has been first briefly made between migration and diffusion with respect to current, driving force and charge of electroactive species considered. Then, the equations for chemical diffusion are derived theoretically in open-circuit and current flowing conditions. Finally, the experimental methods such as ac impedance spectroscopy and current (potential) transient techniques are described in details for characterising chemical diffusion. In addition, the role of the thermodynamic enhancement factor in chemical diffusion is discussed.

• 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.

• Transactions of the Korean Society of Mechanical Engineers
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• v.11 no.3
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• pp.425-436
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• 1987

Accurate predictions of heat transfer coefficient of vertical laminar film-boiling are very important in many engineering applications. There are many predictions, however they are not exact as yet, since they have used the assumption of constant thermodynamic properties in the analysis. In this paper, heat transfer of vertical film boiling was analysized by Runnge Kutta method using veriable thermodynamic properties. 1/4 interval method was exployed for the prediction of unknown wall boundary condition. Numerical computations were performed with varying the wall temperature and the free stream velocity of liquid. Results show that assumption of constant thermodynamic properties induced considerable error in predicting the heat transfer coefficient, friction factor, film thickness, and critical length for transition to turbulent flow. Comparision of the predicted heat transfer coefficient of present analysis with that from Bromley's correlation shows that the use of general latent heat in Bromely equation instead of modified latent heat is more desireable since it makes the coefficient of Bromley equation into constant.

• Proceedings of the Korean Nuclear Society Conference
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• 1997.05a
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• pp.437-443
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• 1997

DYLAM and its related applications are reviewed in detail and found to have many favorable characteristics. Concerning human factor analysis, the study demonstrates that DYLAM methodology represents an appropriate tool to study man-machine behavior provided that DYLAM is used to model machine behavior and an appropriate operator interface human factor model is included. A hybrid model which is a synthesis of the DYLAM model, a system thermodynamic simulation model and a neural network predicative model, is implemented and used to analyze dynamically the CANDU pressurizer system.