• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.17 no.4
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• pp.361-366
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• 2004

The interface stability of Ta-Mo alloy film on SiO$_2$ was investigated. Ta-Mo alloy films were formed by co-sputtering method, and the alloy composition was varied by controlling Ta and Mo sputtering power, When the atomic composition of Ta was about 91％, the measured work function was 4.24 eV that is suitable for NMOS gate. To identify interface stability between Ta-Mo alloy film and SiO$_2$, C-V and XRD measurements were performed on the samples annealed with rapid thermal processor between $600^{\circ}C$ and 90$0^{\circ}C$. Even after 90$0^{\circ}C$ rapid thermal annealing, excellent interface stability and electrical properties were observed. Also, thermodynamic analysis was studied to compare with experimental results.

• Fire Science and Engineering
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• v.16 no.3
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• pp.16-25
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• 2002

For Freon-23, a conventional extinguished agent regulated by Montreal Protocol and HFC-227ea, its alternative, the empirical equations were correlated in terms of saturated pressure, density, viscosity, enthalpy and surface tension. They were obtained by regression analysis from the experimental data in the literature. The empirical equations of saturated pressure were expressed as the second and third order function of temperature. The empirical equation of density was expressed as compressibility factor and saturated pressure by a function of temperature. The empirical equation of viscosity was formulated as a power function. Heat capacities as well as enthalpies were well fitted by empirical form of the second-order temperature. Finally, surface tension simply has linear function form in terms of temperature.

• Fire Science and Engineering
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• v.17 no.1
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• pp.26-32
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• 2003

Inert gases, Af, $N_2$, $CO_2$, as a Halon alternative, the empirical equations were correlated in terms of saturated pressure, density and viscosity, They were obtained by regression analysis from the experimental data in the literature. The empirical equations of saturated pressure were expressed as the second and third order function of temperature. The empirical equation for Ar and $N_2$ of density were expressed as the first order function of temperature. And $CO_2$ was expressed as the second and third order function of temperature. The empirical equation of viscosity was formulated as a power function with temperature. This empirical equations would allow us to predict pure component state.

• Bulletin of the Korean Chemical Society
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• v.11 no.6
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• pp.497-505
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• 1990

The function exp$(x^2)$erfc(x), which is often encountered in studies of electrode kinetics, is evaluated to an extended precision with 32 significant decimal digits in order to find theoretical relationships used in derivative polarography/voltammetry for a chemically-coupled electrode process. Computations with a lower precision are not successful. Evaluation of the function is accomplished by using three types of expansions for the function. Best ranges of arguments are selected for each equation for particular precisions for efficiencies. The method is successfully applied to calculate higher-order derivatives of the current-potential curves in all potential ranges for a reversible electron transfer reaction coupled with a prior chemical equilibrium (i.e., a CE type process). Various parameters that characterize the peak asymmetry (such as ratios of peak-heights, ratios of half-peak-widths, and separations in peak-potentials) are analyzed to find how kinetic and thermodynamic parameters influence shapes of the derivatives. The results from the CE process is compared with those from an EC process in which a reversible electron transfer is coupled with a follow-up homogeneous chemical reaction. The two processes exibit quite contrasting differences for values of the parameters.

• Korean Chemical Engineering Research
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• v.57 no.5
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• pp.679-686
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• 2019

Characteristics of adsorption equilibrium, kinetic and thermodynamic of aniline blue onto activated carbon from aqueous solution were investigated as function of initial concentration, contact time and temperature. Adsorption isotherm of aniline blue was analyzed by Langmuir, Freundlich, Redlich-Peterson, Temkin and Dubinin-Radushkevich models. Langmuir isotherm model fit better with isothermal data than other isotherm models. Estmated Langmuir separation factors ($R_L=0.036{\sim}0.068$) indicated that adsorption process of aniline blue by activated carbon could be an effective treatment method. Adsorption kinetic data were fitted to pseudo first order model, pseudo second order model and intraparticle diffusion models. The kinetic results showed that the adsorption of aniline blue onto activated carbon well followed pseudo second-order model. Adsorption mechanism was evaluated in two steps, film diffusion and intraparticle diffusion, by intraparticle diffusion model. Thermodynamic parameters such as Gibbs free energy, enthalpy and entropy for adsorption process were estimated. Enthalpy change (48.49 kJ/mol) indicated that this adsorption process was physical adsorption and endothermic. Since Gibbs free energy decreased with increasing temperature, the adsorption reaction became more spontaneously with increasing temperature. The isosteric heat of adsorption indicated that there is interaction between the adsorbent and the adsorbate because the energy heterogeneity of the adsorbent surface.

• Bulletin of the Korean Chemical Society
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• v.34 no.12
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• pp.3727-3732
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• 2013

The interaction between metalloporphyrins and diazine tautomers was investigated using quantum chemistry method. The results showed that the metal atom in the metalloporphyrin was not coplanar with porphin ring, and zinc porphyrin has the most extent of its non-coplanar nature. The most stable complex in nine complexes was iron porphyrin. NBO analysis indicated that the interaction between the lone pair of electrons on the nitrogen atom and the unoccupied lone pair orbital of metal contributes significantly to the stability of the complexes. Through the conceptual DFT parameter and Fukui dual descriptor, the thermodynamic stability and reactivity of complexes were analyzed. The density difference function (DDF) analyzes were performed to explore the rearrangement of electronic density after the coordination interaction. NICS calculation indicated that metalloporphyrin aromaticity was reduced after the coordination interaction, and aromaticity of diazine tautomer was increased along direction vector of the coordination interaction force.

• Journal of ILASS-Korea
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• v.22 no.3
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• pp.137-145
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• 2017

This paper describes numerical modeling of transcritical and supercritical fluid flows within a liquid propellant rocket engine. In the present paper, turbulence is modeled by standard $k-{\varepsilon}$ model. A conserved scalar approach in conjunction with multi-environment probability density function model is used to account for the turbulent mixing of real-fluids in the transcritical and supercritical region. The two real-fluid equations of state and dense-fluid correction schemes for mixtures are used to construct thermodynamic data library based on the conserved scalar. In this study, calculations are made on two cryogenic nitrogen jets under different chamber pressures. Sensitivity analysis for two different real-fluid equations of sate is particularly emphasized. Based on numerical results, precise structures of cryogenic nitrogen jets are discussed in detail. Numerical results show that the current real-fluid model can predict the essential features of the cryogenic liquid nitrogen jets.

• Applied Chemistry for Engineering
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• v.18 no.3
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• pp.267-272
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• 2007

The critical micelle concentration (CMC) and the counterion binding constant (B) in a mixed micellar state of the trimethyltetradecylammonium bromide (TTAB) with the polyoxyethylene (23) lauryl ether (Brij 35) at $25^{\circ}C$ in water and in aqueous solutions of n-butanol (0.1 M, 0.2 M, and 0.3 M) were determined as a function of ${\alpha}_1$ (the overall mole fraction of TTAB) by the use of electric conductivity method and surface tensiometer method. Various thermodynamic parameters ($X_i$, ${\gamma}_i$, $C_i$, ${a_i}^M$, ${\beta}$, and ${\Delta}H_{mix}$) were calculated by means of the equations derived from the nonideal mixed micellar model. The effects of n-butanol on the micellization of TTAB/Brij 35 mixtures have been also studied by analyzing the measured and calculated thermodynamic parameters.

• Journal of the Korean Chemical Society
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• v.51 no.2
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• pp.129-135
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• 2007

The critical micelle concentrations (CMC) and the counter ion binding constants (B) in a micellar state of the mixed surfactant systems of Tetradecyltrimethylammonium bromide (TTAB) with Polyoxyethylene(23) lauryl ether (Brij 35) in water were determined as a function of α1 (the overall mole fraction of TTAB) by the use of electric conductivity method and surface tensiometer method from 15 oC to 35 oC. Values of thermodynamic parameters (ΔGom, ΔHom, and ΔSom) for the micellization of TTAB/Brij 35 mixtures were calculated and analyzed from the temperature dependence of CMC values. The results say that the measured values of ΔGom are all negative at the whole measured condition but the values of ΔSom and ΔHom are positive or negative, depending on the measured temperature and α1.

• Journal of the Korean Chemical Society
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• v.50 no.5
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• pp.355-361
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• 2006

The critical micelle concentration (CMC) and the counterion binding constant (B) in a mixed micellar state of the sodium dodecylbenzenesulfonate (DBS) with the polyoxyethylene(23) lauryl ether (Brij 35) at 25oC in water and aqueous solutions of n-butanol (0.1M, 0.2M, and 0.3M) were determined as a function of a1 (the overall mole fraction of DBS) by the use of electric conductivity method and surface tensiometer method. Various thermodynamic parameters (Xi, i, Ci, aiM, , and Hmix) were calculated by means of the equations derived from the nonideal mixed micellar model. The effect of n-butanol on the micellization of the DBS/Brij 35 mixtures has been also studied by analyzing the measured and calculated thermodynamic parameters.