• 대한기계학회:학술대회논문집
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• 대한기계학회 2003년도 추계학술대회
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• pp.256-260
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• 2003

A computer program to calculate thermodynamic properties of oxygen is developed. Procedures for the calculation is briefly discussed. The program calculates unknown thermodynamic properties fixing the state with two independent input properties. If input value by user is inappropriate, it displays an error message. In addition user can change units with easy. The program developed in this work can be utilized to calculate parameters required for the simulation and design of an equipment using oxygen.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2003년도 춘계학술대회
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• pp.1667-1671
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• 2003

A computer program to calculate properties of nitrogen is developed. Procedures for the calculation is briefly discussed. The program calculates unknown thermodynamic properties fixing the state with two independent input properties. If input value by user is inappropriate, it displays an error message and replaces the input value with an appropriate one. In addition user can change units with easy. The program developed in this work can be utilized to calculate parameters required for the simulation and design of an equipment using nitrogen.

• 한국표면공학회지
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• 제23권1호
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• pp.27-33
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• 1990

Thermodynamic analysis on silicon consumpton during the chemical vapor deposition of tungten was carried out by calculation equilibrium concerations of all possible product species utilizing a computer progrom according to VCS.(Villars-Cruise-Smith) algorithm. The calculation could show various reaction paths which dominate the tungsten deposition under different process conditions. According to the calculation, the consumption of silicon can also be reduced at a lower total pressure SiH4 without H2 as the reacting gas is most effective for suppression of the excessive consumption of silicon during the deposition process.

• 대한화학회지
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• 제3권1호
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• pp.3-8
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• 1954

Fowler obtained thermodynamic quantities assuming the theory which could be derived by representing the system with microcanonical ensemble, in order to introduce the temperature T of the system proper, he considered the combined systems which are composed of the system proper and another arbitrary system that is in thermal contact with the former, and represented the combined system by a microcanonical ensemble, here, he used the steepest descent method in his calculation. This Fowler's treatment is not only unsatisfactory at the point of theoretical view but also he could not make the formulation of free energy of Helmholtz's so that this formular was forced to be assumed. From the point of Quantum Statistical Mechanical view, the materially closed system which is in an equilibrium state with the temperature T is best represented by canonical ensemble. At the actual derivation of the distribution law and thermodynamic quantities, however, in order to avoid the difficulty of calculation Tolman proceeded his calculation either representing the system proper by the grand-canonical ensemble or adding a certain limitation.

• 대한금속재료학회지
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• 제46권12호
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• pp.771-779
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• 2008

An effective way of increasing the strength and fracture toughness of reactor pressure vessel steels is to change the material specification from that of Mn-Mo-Ni low alloy steel(SA508 Gr.3) to Ni-Mo-Cr low alloy steel(SA508 Gr.4N). In this study, we evaluate the effects of alloying elements on the microstructural characteristics of Ni-Mo-Cr low alloy steel. The changes in the stable phase of the SA508 Gr.4N low alloy steel with alloying elements were evaluated by means of a thermodynamic calculation conducted with the software ThermoCalc. The changes were then compared with the observed microstructural results. The calculation of Ni-Mo-Cr low alloy steels confirms that the ferrite formation temperature decreases as the Ni content increases because of the austenite stabilization effect. Consequently, in the microscopic observation, the lath martensitic structure becomes finer as the Ni content increases. However, Ni does not affect the carbide phases such as $M_{23}C_6 $ and $M_7C_3$. When the Cr content decreases, the carbide phases become unstable and carbide coarsening can be observed. With an increase in the Mo content, the $M_2C$ phase becomes stable instead of the $M_7C_3$ phase. This behavior is also observed in TEM. From the calculation results and the observation results of the microstructure, the thermodynamic calculation can be used to predict the precipitation behavior.

• Corrosion Science and Technology
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• 제12권3호
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• pp.132-141
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• 2013

This work is concerning a methodology of Ni-base superalloy development for a very high temperature gas-cooled reactor(VHTR) using design of experiments(DOE) and thermodynamic calculations. Total 32 sets of the Ni-base superalloys with various chemical compositions were formulated based on a fractional factorial design of DOE, and the thermodynamic stability of topologically close-packed(TCP) phases of those alloys was calculated by using the THERMO-CALC software. From the statistical evaluation of the effect of the chemical composition on the formation of TCP phase up to a temperature of 950 oC, which should be suppressed for prolonged service life when it used as the structural components of VHTR, 16 sets were selected for further calculation of the mechanical properties. Considering the yield and ultimate tensile strengths of the selected alloys estimated by using the JMATPRO software, the optimized chemical composition of the alloys for VHTR application, especially intermediate heat exchanger, was proposed for a succeeding experimental study.

• Bulletin of the Korean Chemical Society
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• 제5권4호
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• pp.145-149
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• 1984

The entropy and heat capacity are calculated for the Morse oscillator model in order to test the quality of the partition function recently deduced by two of us. It is found that these analytical expressions are more reliable than the usually accepted one and give better results in the calculation of thermodynamic properties.

• The Korean Journal of Ceramics
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• 제7권1호
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• pp.11-15
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• 2001

A thermodynamic assessment for the ZrO$_2$-TiO$_2$ system has been conducted. An optimal thermodynamic data set for this system is evaluated by the CALPHAD(CALculation of PHAse Diagram) method applied to experimental phase diagram and thermodynamic data. The liquid is described by ionic liquid model with two sublattices. The solubilities of the solid phases, tetragonal ZrO$_2$ and TiO$_2$(rutile), were described by subregular substitutional model with one sublattice. Two compounds, ZrTiO$_4$ and ZrTi$_2$O$_6$, are modeled as stoichiometric compounds.

• 한국세라믹학회지
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• 제48권3호
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• pp.236-240
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• 2011

In order to deposit a homogeneous and uniform ${\beta}$-SiC films by chemical vapor deposition, we demonstrated the phase stability of ${\beta}$-SiC over graphite and silicon via computational thermodynamic calculation considering pressure, temperature and gas composition as variables. The ${\beta}$-SiC predominant region over other solid phases like carbon and silicon was changed gradually and consistently with temperature and pressure. Practically these maps provide necessary conditions for homogeneous ${\beta}$-SiC deposition of single phase. With the thermodynamic analyses, the CVD apparatus for uniform coating was modeled and simulated with computational fluid dynamics to obtain temperature and flow distribution in the CVD chamber. It gave an inspiration for the uniform temperature distribution and low local flow velocity over the deposition chamber. These calculation and model simulation could provide milestones for improving the thickness uniformity and phase homogeneity.

• 융복합기술연구소 논문집
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• 제2권2호
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• pp.30-34
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• 2012

The SI thermochemical cycle process accomplishes water splitting through distinctive three chemical reactions. We focused on thermodynamic models applicable to the process. Recently, remarkable models based on the assumed ionic species have been developed to describe highly nonideal behavior on the liquid phase reactions. ElecNRTL models with ionic reactions were proposed in order to provide reliable process simulation results for phase equilibrium calculations in Section II and III. In this study, the current thermodynamic models of SI thermochemical cycle process were briefly described and the calculation results of the applied ElecNRTL models for phase equilibrium calculations were illustrated for binary systems.