• Journal of Energy Engineering
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• v.24 no.2
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• pp.79-83
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• 2015

Hydrogen has long been recognized as a fuel having some unique and highly desirable properties, for application as a fuel in engines. Hydrogen has some remarkably high values of the key properties for transport processes, such as kinematic viscosity, thermal conductivity and diffusion coefficient, in comparison to those of the other fuels. Such differences together with its extremely low density and low luminosity help to give hydrogen its unique diffusive and heat transfer characteristics. The thermodynamic and heat transfer characteristics of hydrogen tend to produce high compression temperatures that contribute to improvements in engine efficiency and lean mixture operation.

• Journal of Energy Engineering
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• v.24 no.2
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• pp.84-90
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• 2015

Hydrogen has some remarkably high values of the key properties for transport processes, such as kinematic viscosity, thermal conductivity and diffusion coefficient. Hydrogen, as an energy medium, has some distinct benefits for its high efficiency and convenience in storage, transportation and conversion. Hydrogen has much wider limits of flammability in air than methane, propane or gasoline and the minimum ignition energy is about an order of magnitude lower than for other combustibles. Statistical thermodynamics provides the relationships that we need in order to bridge this gap between the macro and the micro. Our most important application will involve the calculation of the thermodynamic properties of the ideal gas.

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

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

• Journal of Korea Foundry Society
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• v.41 no.5
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• pp.445-453
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• 2021

Computational thermodynamics for various alloy systems is well known as the CALPHAD technique. Gibbs energy model parameters for each phase are obtained from experimentally measured thermodynamic properties and are mainly used to predict areas not experimentally measured and to analyze experimental results thermodynamically. In this study, the thermodynamic modeling of the Ni-Cr-Nb-C quaternary system is conducted for a thermodynamic analysis of the phenomena by which heat-resistant cast alloys (IN-657) are destroyed in certain areas after long-term use. The stable phases in the system according to the Cr content, phase fraction depending on the temperature, and long-range ordering parameters for the Ni₂Cr phase are calculated and compared to results obtained experimentally. The calculated thermodynamic properties suitably explain the experimentally reported fracture temperature range and the results of stable phases formed in the fractured areas. Thermodynamic modeling through the CALPHD method is expected to be useful for analyzing and predicting the thermodynamic behaviors of various cast alloys.

• Journal of Astronomy and Space Sciences
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• v.8 no.1
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• pp.1-10
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• 1991

The dust formation processes in novae are investigated with close attention to recent infrared observations. Using mainly the classical nucleation theory, we have calculated the time scales of dust formation and growth in the environments of novas. Those time scales roughly the typical observations. We have classified the dust-forming novae into three classes according to their explosion properties and the thermodynamic properties of dust grains. Oxygen grains form much later than carbon grains because of their thermodynamic properties. The effect of grain formation to the efficiency of stellar winds to drive the material outward is tested with newly obtained Planck mean values of dust grains.

• Bulletin of the Korean Chemical Society
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• v.15 no.10
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• pp.852-856
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• 1994

A series of aliphatic hydrocarbons, methane to hexane in the liquid state, are modeled with the molecular mechanical potential parameters treating all hydrogen degrees of freedom explicitly. Thermodynamic properties (heat capacities and heats of vaporization) are calculated from relatively short (20ps) molecular dynamics trajectories. The liquid state structures are also examined through various radial distribution functions. Molecular dynamics simulations reproduce experimentally measured properties within a few percent errors, thus indicate that the present set of all-hydrogen parameters is suitable for simulating macromolecular systems in bulk.

• Journal of the Korean Chemical Society
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• v.57 no.4
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• pp.461-471
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• 2013

Optimized geometrical structure, atomic charges, molecular electrostatic potential, nonlinear optical (NLO) effects and thermodynamic properties of the title compound N-(2,5-methylphenyl)salicylaldimine (I) have been investigated by using ab initio quantum chemical computational studies. Calculated results showed that the enol form of (I) is more stable than keto form. The solvent effect was investigated for obtained molecular energies, hardneses and the atomic charge distributions of (I). Natural bond orbital and frontier molecular orbital analysis of the title compound were also performed. The total molecular dipole moment (${\mu}$), linear polarizability (${\alpha}$), and first-order hyperpolarizability (${\beta}$) were calculated by B3LYP method with 6-31G(d), 6-31+G(d,p), 6-31++G(d,p), 6-311+G(d) and 6-311++G(d,p) basis sets to investigate the NLO properties of the compound (I). The standard thermodynamic functions were obtained for the title compound with the temperature ranging from 200 to 450 K.

• Korean Journal of Air-Conditioning and Refrigeration Engineering
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• v.15 no.9
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• pp.768-778
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• 2003

Numerical analysis has been carried out to investigate laminar convective heat transfer in a tube for supercritical water near the thermodynamic critical point. Fluid flow and heat transfer are strongly coupled due to large variations 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 pseudocritical 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 to the critical point is considered and a heat transfer correlation is suggested for the peak of Nusselt number in the tube.

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