• Proceedings of the Korea Association of Crystal Growth Conference
• /
• 1998.09a
• /
• pp.1-20
• /
• 1998

Processing of thin films by chemical vapor deposition (CVD) is accompanied by chemical reactions, in which the rigorous kinetic analysis is difficult to achieve. In these conditions, thermodynamic calculation leads to better understanding of the CVD process and helps to optimise the experimental parameters to obtain a desired product. A CVD phase diagram has been used as guide lines for the process. By determining the effect of each process variable on the driving force for deposition, the thermodynamic limit for the substrate temperature that diamond can deposit is calculated in the C-H system by assuming that the limit is defined by the CVD diamond phase diagram. The addition of iso-supersaturation ratio lines to the CVD phase diagram in the Si-Cl-H system provides additional information about the effects of CVD process variables.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.8
• /
• pp.2281-2285
• /
• 2013

The electronic structure, optical spectra, and thermodynamic properties of the three FOX-7 polymorphs (${\alpha}$, ${\beta}$, and ${\gamma}$) have been studied systematically using density functional theory. The LDA (CA-PZ) and generalized gradient approximation (GGA) (PW91) functions were used to relax the three FOX-7 phases without any constraint. Their density of states and partial density of states were calculated and analyzed. The band gaps for the three phases were calculated and the sequence of their sensitivity was presented. Their absorption coefficients were computed and compared. The thermodynamic functions including enthalpy (H), entropy (S), free energy (G), and heat capacity ($C_p$) for the three phases were evaluated.

• Korean Journal of Air-Conditioning and Refrigeration Engineering
• /
• v.3 no.4
• /
• pp.250-255
• /
• 1991

Performance analysis of double-effect absorption heat pump system has been done to find improved working pairs (or mixture) by computer simulation. Based on the thermodynamic analysis, the coefficient of performance and mass flow ratio are investigated to compare three aqueous solutions [LiCl-water, LiSCN-LiBr-water, LiCl-$CaCl_2$-$Zn(NO_3)_2$-water] which was developed for only cooling, with conventional LiBr-water solution. It is found that the performances of the new aqueous solutions are better than that of LiBr-water solution not only in cooling systems, but also in heating systems. Theoretical thermodynamic performance data can be used in heat recovery systems by basic design data.

• Journal of the Korean Solar Energy Society
• /
• v.22 no.4
• /
• pp.51-61
• /
• 2002

Analysis of thermodynamic design data of double effect solar absorption heat pump system for heating has been done to find the property of Libr-water + ethylene Glycol mixture for working fluid by computer simulation. Derived thermodynamic design data. enthalpy based coefficient of performance and flow ratio for possible combinations of operating temperature for water - LiBr and Ethylene Glycol mixture (H2O: CHO ratio 10:1 by mole) by computer simulation. The obtained results, COP and mass flow ratio of the water-lithium bromide-ethylene glycol system, are compared with data for the water-Libr pair solution.

• Journal of Ocean Engineering and Technology
• /
• v.14 no.2
• /
• pp.70-75
• /
• 2000

In this paper a new constitutive model for ductile materials was proposed. This model can describe the material degradation due to the evolution of isotropic damage during elasto-platic deformation. The plastic flow rule was derived under the framework of thermodynamic approach of continuum damage mechanics(CDM) in which plastic strain hardening parameters and isotropic damage were taken as thermodynamic state variables. And the process to determine material constants for constitutive model using an experimental data was presented.

• Fire Science and Engineering
• /
• v.18 no.1
• /
• pp.7-12
• /
• 2004

For CFCs and Halons regulated by Montreal Protocol and their alternatives of HFC-23, HFC-125 HFC-227ea, HFC-236fa and the mixtures of inert gases of $Ar, N_2 and CO_2$, the thermodynamic properties of saturated pressure, density, enthalpy and viscosity were compared. In this study, the data from literature were expressed as a function of temperature. Thermodynamic properties of HFC compounds were similar to those of Halon-1301. Inert gas was mainly used as a mixture, but the physical properties of the inert gas does not have the favorable advantages over those of Halon-1301.

• Journal of the Korean Society of Food Science and Nutrition
• /
• v.27 no.5
• /
• pp.1019-1025
• /
• 1998

Proteins and polysaccharides are major food macromolecules. Generally, the mixture of these macromolecules can be separated into two phases because of their thermodynamic incompatibility. Phase separ-ation is explained by equilibrium phase diagram, which comprises binodal curve, critical point, phase separation threshold, tie-line and rectilinear diameter. Phase separation of protein-polysacc-haride solution is affected by pH, temperature, ionic strength, molecular weight, molecular structure, etc. Membraneless osmosis has been developed to concentrate protein solutions, using the phase diagram constituted by proteins and polysaccharides. Protein-polysaccharide mixtures are very promising fat mimetics because solution of mixtures forms water-continuous system with two phase-separated gels, which give plastic texture and a fatty mouthfeel.

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

• Bulletin of the Korean Chemical Society
• /
• v.18 no.5
• /
• pp.501-509
• /
• 1997

In recent papers[Bull. Kor. Chem. Soc. 1996, 17, 735; ibid 1997, 18, 478] we reported results of molecular dynamics (MD) simulations for the thermodynamic, structural, and dynamic properties of liquid normal alkanes, from n-butane to n-heptadecane, using three different models. Two of the three classes of models are collapsed atomic models while the third class is an atomistically detailed model. In the present paper we present results of MD simulations for the corresponding properties of liquid branched-chain alkanes using the same models. The thermodynamic property reflects that the intermolecular interactions become weaker as the shape of the molecule tends to approach that of a sphere and the surface area decreases with branching. Not like observed in the straight-chain alkanes, the structural properties of model Ⅲ from the site-site radial distribution function, the distribution functions of the average end-to-end distance and the root-mean-squared radii of gyration are not much different from those of models Ⅰ and Ⅱ. The branching effect on the self diffusion of liquid alkanes is well predicted from our MD simulation results but not on the viscosity and thermal conductivity.

• International Journal of Air-Conditioning and Refrigeration
• /
• v.13 no.4
• /
• pp.206-216
• /
• 2005

Numerical analysis has been carried out to investigate laminar convective heat transfer at zero gravity in a tube for supercritical water near the thermodynamic critical point. Fluid flow and heat transfer are strongly coupled due to large variation of thermodynamic and transport properties such as density, specific heat, viscosity, and thermal conductivity near the critical point. Heat transfer characteristics in the developing region of the tube show transition behavior between liquid-like and gas-like phases with a peak in heat transfer coefficient distribution near the pseudo critical point. The peak of the heat transfer coefficient depends on pressure and wall heat flux rather than inlet temperature and Reynolds number. Results of the modeling provide convective heat transfer characteristics including velocity vectors, temperature, and the properties as well as the heat transfer coefficient. The effect of proximity on the critical point is considered and a heat transfer correlation is suggested for the peak of Nusselt number in the tube.