• 산업기술연구
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• 제18권
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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.

• 한국대기환경학회지
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• 제33권5호
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• pp.521-528
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• 2017

In the combustion treatment of explosive gases with a high heating value such as $H_2$ and $NH_3$ used in semiconductor and chemical processes, the heat recovery modeling and exergy analysis of the process using the Aspen Plus simulator and its thermodynamic data were performed to examine the recovery of high temperature thermal energy. The heat recovery process was analyzed through this process modeling while the exergy results clearly confirmed that the rigorous reaction mainly occurs in the condenser and the chamber. In addition, the process modeling demonstrated that approximately 95% of the exergy is destructed on the basis of the exergies injected and the exergy being exhausted. Using the exergy technique, which can quantitatively analyze the energy, we could understand the energy flow in the process and confirm that our heat recovery process was efficiently designed.

• Bulletin of the Korean Chemical Society
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• 제23권1호
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• pp.48-52
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• 2002

Using several molecular modeling programs we have performed computer simulations to investigate the complexation behaviors of an ester derivative of p-tert-butylcalix[5]arene (1e) toward a variety of butylammonium ions. Semi-empirical AM1 method was used for calculating the binding energies and the formation enthalpies. MM and CVFF forcefields for molecular mechanics calculations were adapted to express the complexation energies of the host. Molecular dynamics were performed to the calculated complex systems to simulate the ionophoric behavior of the host-guest complexes. The absolute Gibbs free energies of the host (1e) complexed with four kinds of butylammonium ions have been calculated using the Finite Difference Thermodynamic Integration (FDTI) method in Discover. Calculation results show that the trend in complex formation is n-$BuNH_3^+$ > iso-$BuNH_3^+$ >> sec-$BuNH_3^+$ > tert-$BuNH_3^+$, which is in good agreement with the experimental results.

• The Korean Journal of Ceramics
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• 제4권2호
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• pp.136-140
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• 1998

This work demonstrates a method for modeling of electrical conductivity in high-temperature proton-conducting oxides. Total conductivity was calculated assuming that it comprises partial conductivities contributed by protons, oxygen ions and electron holes. From the polt $\sigma_{tot}$ vs. $po_2\;{1/4}$ in wet atmosphere, thermodynamic and kinetic parameters were obtained representing transport properties such as concentration and mobility of the charge-carrying defects. The formulas for the calculation of partial conduction were derived based on the defect structure of HTPCs. Illustrative calculation were made for $SrCe_{0.95}Yb_{0.05}O_{2.975}$ system.

• 한국철도학회:학술대회논문집
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• 한국철도학회 2008년도 춘계학술대회 논문집
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• pp.2236-2241
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• 2008

To predict the dynamic behaviour of railway vehicle, the complex vehicle structure has been described by mathmatical model such as mass, spring and damper. Air-spring has played a major role to improve dynamic characteristics, vibration isolation and ride comfort. The mechanical behaviour of air spring is very complicated. The behaviour is based on fluid and thermodynamic mechanisms. The main parameters of air spring are stiffness due to compression of the air in the spring and surge reservoir, change of area stiffness and orifice damping. In this paper, we have studied an air-spring modeling method and compared the difference between calculation and test.

• 한국세라믹학회지
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• 제50권3호
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• pp.231-237
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• 2013

Thermodynamic modeling of the $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ complex ferrite system has been adopted as a rational approach to establish routes to better synthesis conditions for pure phase $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ complex ferrite. Quantitative analysis of the different reaction equilibria involved in the precipitation of $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ from aqueous solutions has been used to determine the optimum synthesis conditions. The spinel ferrites, such as magnetite and substitutes for magnetite, with the general formula $MFe_2O_4$, where M= $Fe^{2+}$, $Co^{2+}$, and $Ni^{2+}$ are prepared by coprecipitation of $Fe^{3+}$ and $M^{2+}$ ions with a stoichiometry of $M^{2+}/Fe^{3+}$= 0.5. The average particle size of the as synthesized $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$, measured by transmission electron microscopy (TEM), is 14.2 nm, with a standard deviation of 3.5 nm the size when calculated using X-ray diffraction (XRD) is 16 nm. When $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ ferrite is annealed at elevated temperature, larger grains are formed by the necking and mass transport between the $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ ferrite nanoparticles. Thus, the grain sizes of the $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ gradually increase as heat treatment temperature increases. Based on the results of Thermogravimetric Analysis (TGA) and Differential Scanning Calorimeter (DSC) analysis, it is found that the hydroxyl groups on the surface of the as synthesized ferrite nanoparticles finally decompose to $Ni_{0.5}Zn_{0.4}Cu_{0.1}Fe_2O_4$ crystal with heat treatment. The results of XRD and TEM confirmed the nanoscale dimensions and spinel structure of the samples.

• 대한기계학회논문집B
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• 제24권1호
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• pp.39-49
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• 2000

This paper presents the modeling approach that can predict transient behavior of rotary compressor. Mass and energy conservation laws are applied to the control volume, real gas state equation is used to obtain thermodynamic properties of refrigerant. The valve equation is solved to analyze discharge process also. Dynamic analysis of vane and roller is carried out to gain friction work. From the above modeling, the performance of rotary compressor with radial clearance and friction loss is investigated numerically. The performance of each refrigerant is estimated, respectively by applying R12, R134a, and R290/ R600a mixture.

• 한국추진공학회:학술대회논문집
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• 한국추진공학회 2009년도 춘계학술대회 논문집
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• pp.414-416
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• 2009

In order to build a transient simulation program for a high thrust liquid rocket engine(LRE), a static performance simulation program for components were made. The components were the thrust chamber (combustion chamber and supersonic nozzle), centrifugal pump (impeller and volute casing), impulse turbine, and flow control devices (control valve and orifice). Simplified mathematical models based on classical thermodynamic and inviscid theories were used to remove complexity and enhance the utility of the program. We examined the results of each program qualitatively for validate each component modeling.

• 한국소음진동공학회:학술대회논문집
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• 한국소음진동공학회 2014년도 추계학술대회 논문집
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• pp.330-331
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• 2014

A mathematical model is suggested for diagnosis on a reciprocating pump. To the end, kinematic, thermodynamic and fluidic analyses are carried out for a simplified reciprocating pump model. The pressure inside the cylinder is expressed as a function of the rotation angle of a crank axle. The mathematical model consists of one cylinder with suction and discharge valves and an accumulator. The effect of valve leakage on the discharge angle is investigated. The discharge angle difference between normal state and leakage state increases with the leakage extent.

• Bulletin of the Korean Chemical Society
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• 제19권2호
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• pp.218-222
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• 1998

Removal of Cd(Ⅱ), Zn(Ⅱ) and Cu(Ⅱ) from aqueous solutions using the adsorption process on magadiite has been investigated. It was found that the removal percentage of metal cations at equilibrium increases with increasing temperature, and follows the order of Cd(Ⅱ) > Cu(Ⅱ) > Zn(Ⅱ). Equilibrium modeling of adsorption showed that the adsorptions of Cd(Ⅱ), Cu(Ⅱ), and Zn(Ⅱ) were fitted to Langmuir isotherm. Kinetic modeling of the adsorption showed that first order reversible kinetic model fitted to experimental data. From kinetic model and equilibrium data, the overall rate constant (k) and the equilibrium constant (K) for the adsorption process were calculated. The overall rates of adsorption of metal ions follow the order of Cd(Ⅱ) > Cu(Ⅱ) > Zn(Ⅱ). From the results of thermodynamic analysis, standard Gibbs free energy (ΔG°), standard enthalpy (ΔH°), and standard entropy (ΔS°) of adsorption process were calculated.