• International Journal of Aeronautical and Space Sciences
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• v.16 no.3
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• pp.347-359
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• 2015

A method of describing the rovibrational energy transitions and coupled chemical reactions in the direct simulation Monte Carlo (DSMC) calculations is constructed for $H(^2S)+H_2(X^1{\Sigma}_g)$ and $He(^1S)+H_2(X^1{\Sigma}_g)$. First, the state-specific total cross sections for each rovibrational states are proposed to describe the state-resolved elastic collisions. The state-resolved method is constructed to describe the rotational-vibrational-translational (RVT) energy transitions and coupled chemical reactions by these state-specific total cross sections and the rovibrational state-to-state transition cross sections of bound-bound and bound-free transitions. The RVT energy transitions and coupled chemical reactions are calculated by the state-resolved method in various heat bath conditions without relying on a macroscopic properties and phenomenological models of the DSMC. In nonequilibrium heat bath calculations, the state-resolved method are validated with those of the master equation calculations and the existing shock-tube experimental data. In bound-free transitions, the parameters of the existing chemical reaction models of the DSMC are proposed through the calibrations in the thermochemical nonequilibrium conditions. When the bound-free transition component of the state-resolved method is replaced by the existing chemical reaction models, the same agreement can be obtained except total collision energy model.

• Journal of the Korea Institute of Military Science and Technology
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• v.13 no.1
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• pp.156-163
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• 2010

A nonequilibrium molecular dynamics(NEMD) simulation method is developed and applied to study shock waves propagating through argon gas. In this simulation method, shock waves are generated by pushing a piston at a constant speed from one side of a simulation box filled with argon molecules. A linear relationship between piston speeds and shock speeds is observed. Thermodynamic properties including density, temperature, and pressure before and after the shock front are obtained from the simulations and compared with the well-known Rankine-Hugoniot equations based on ideal gases. The comparison shows an excellent agreement, indicating that this NEMD simulation method can be employed to investigate various physical properties of shock waves further.

• Proceedings of the Membrane Society of Korea Conference
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• 2005.11a
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• pp.96-101
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• 2005

A theory for the material transports through ion exchange membrane has been developed on the basis of nonequilibrium thermodynamics by removing the assumption of solvent flow in the previous paper and applied to a detailed study of the ionic transport properties of new charged mosaic membrane(CMM) system. The CMM having two different fixed charges in the polymer membrane indicated unique selective transport behavior then ion-exchange membrane. The separation behavior of ion transport across the CMM with a parallel array of positive and negative functional charges were investigated. It was well-known the analysis of the volume flux and solute flux based on nonequilibrium thermodynamics. Our suggests preferential salt transport across the charged mosaic membranes. Transport properties of heavy metal ions, $Mg^{2+}$, $Mn^{2+}$and sucrose system across the charged mosaic membrane were estimated. As a result, we were known metal salts transport depended largely on the CMM. The reflection coefficient indicated the negative value that suggested preferential material transport and was independent of charged mosaic membrane thickness.

• Proceedings of the Korean Society of Computational and Applied Mathematics Conference
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• 2002.09a
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• pp.19.2-19
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• 2002

• Proceedings of the Materials Research Society of Korea Conference
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• 1996.11a
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• pp.30-30
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• 1996

• Bulletin of the Korean Chemical Society
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• v.26 no.12
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• pp.1986-1990
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• 2005

We study the relaxation kinetics of reversible reactions of the type A + B $^\leftarrow_\rightarrow$ C + B by applying the manyparticle kernel theory, which we have developed to investigate many particle effects on general diffusioninfluenced reactions. It is shown that for the target model, where A and C molecules are immobile and their interconversion is induced by the encounter with the B molecules that are present in much excess, the manyparticle kernel theory gives a result that coincides with the known exact result.

• 한국전산유체공학회:학술대회논문집
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• 2009.04a
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• pp.321-328
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• 2009

Free surface impinging jet on a moving plate, which is applicable to cooling of hot metals in a steel-making process, is investigated numerically by solving the Navier-Stokes equations in the liquid and gas phases. The free surface of liquid-gas interface is tracked by a level-set method which is improved by incorporating the ghost fluid approach based on a sharp-interface representation. The method is further improved by employing a nonequilibrium $\kappa-\varepsilon$ turbulence model including the effect of low Reynolds number. The computations are made to investigate the effects of the nozzle pitch, moving velocity of plate and jet velocity on the interfacial motion and the associated flow and temperature fields.

• Transactions of the Korean Society of Mechanical Engineers
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• v.18 no.8
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• pp.2177-2183
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• 1994

The rapid expansion or condensible gas such as moist air of steam gives rise to nonequilibrium condensation. As a result of irreversibility of condensation process in the supersonic cascade flow of low pressure steam turbine, the entropy of the flow is increased, and the efficiency of the turbine is decreased. In the present study, to investigate the flow of moist air in 2-dimensional cascade made as the configuration of the tip section of the last actual steam turbine moving blade, the static pressure at both sides of pressure and suction of blade are measured by static pressure taps and the distribution of Mach number on both surfaces of the blade are obtained by using the measured static pressure. Also, the flow field is visualized by a schlieren system. From the experimental results, the effects of the stagnation temperature and specific humidity on the flow properties in a 2-dimensional stationary cascade of a practical steam turbine blade are clearly identified.

• Journal of the Korean Society of Combustion
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• v.4 no.2
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• pp.51-62
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• 1999

NOx formation in turbulent flames is strongly coupled with temperature, superequilibrium concentration of O radical, and residence time. This implies that in order to accurately predict NO level, it is necessary to develop sophisticated models able to account for the complex turbulent combustion processes including turbulence/chemistry interaction and radiative heat transfer. The present study numerically investigates the turbulent nonpremixed hydrogen jet flames using the laminar flamelet model. Flamelet library is constructed by solving the modified Peters equations and the turbulent combustion model is extended to nonadiabatic flame by introducing the enthalpy defect. The effects of turbulent fluctuation are taken into account by the presumed joint PDFs for mixture fraction, scalar dissipation rate, and enthalpy defect. The predictive capability of the present model has been validated against the detailed experimental data. Effects of nonequilibrium chemistry and radiative heat loss on the thermal NO formation are discussed in detail.

• 한국연소학회:학술대회논문집
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• 2000.05a
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• pp.133-141
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• 2000

The present study is focused on modeling the transient behavior of the local flame structure which is especially important for slow reaction processes, such as NOx formation in the radiating flame field. The recently developed unsteady flamelet model has been applied to analyze a steady, turbulent jet flame. Numerical results are compared with experimental data and numerical results of the conventional steady flamelet model. The numerical result reveals that the unsteady flamelet model correctly predicts the nonequilibrium effect upsteam and the subsequent decay of the superequilibrium radical concentrations the further downstream.