• Transactions of the Korean Society of Mechanical Engineers B
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• v.28 no.12
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• pp.1616-1624
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• 2004

The conditional moment closure(CMC) model has been implemented in context with the unstructured-grid finite-volume method which efficiently handle the physically and geometrically complex turbulent reacting flows. The validation cases include a turbulent nonpremixed CO/$H_2$/$N_2$ Jet flame and a turbulent nonpremixed $H_2$/CO flame stabilized on an axisymmetric bluff-body burner. In terms of mean flame field, minor species and NO formation, numerical results has the overall agreement with expermental data. The detailed discussion has been made for the turbulence-chemistry interaction and NOx formation characteristics as well as the comparative performance for CMC and flamelet model.

• Elastomers and Composites
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• v.34 no.4
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• pp.321-331
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• 1999

The curing process is the final step in tire manufacturing whereby a green tire built from layers of rubber compounds is formed to the desired shape and the compounds are converted to a strong, elastic materials to meet tire performance needs under elevated pressure and temperature in a press. A numerical optimization procedure was developed to improve product quality in a tire curing process. First, a dynamic constrained optimization problem was formulated to determine the optimal condition of the supplied cure media during a curing process. The objective function is subject to an equality constraint representing the process model that describes the heat transfer and cures kinetic phenomena in a cure press and is subject to inequality constraints representing temperature limits imposed on cure media. Then, the optimization problem was solved to determine optimal condition of the supplied cure media for a tire using the complex algorithm along with a finite element model solver.

• Journal of Applied Biological Chemistry
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• v.43 no.1
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• pp.18-24
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• 2000

A one-dimensional transport of displacing monovalent ion, $A^+$, and a trivalent ion being displaced, $B^{3+}^ in a porous exchange system such as soil was approximated using the Crank-Nicolson implicit finite difference technique and the Thomas algorithm in tandem. The variations in the concentration profile were investigated by varying the ion-exchange equilibrium constant (k) of ion-exchange reactions, the influent concentrations, and the cation exchange capacity (CEC) of the exchanger, under constant flux condition of pore water and dispersion coefficient. A higher value of k resulted in a greater removal of the native ion, behind the sharper advancing front of displacing ion, while the magnitude of the penetration distance of $A^+$ was not great. As the CEC increased, the equivalent fraction of $B^{3+}^ initially in the soil was greater, thus indicating that a higher CEC adsorbed trivalent cations preferentially over monovalent ions. Mass balance error from simulation results was less than 1%, indicating this model accounted for instantaneous charge balance fairly well.

• Proceedings of the KSME Conference
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• 2004.11a
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• pp.1494-1498
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• 2004

Transition sequence of rocket to ramjet was simulated numerically for a two-dimensional axisymmetric can-type ramjet engine. Multi-species preconditioned Navier-Stokes equations with $k-{\varepsilon}$ turbulence model and finite-rate chemistry model was employed. To calculate transition sequence, initial flow-field conditions for inlet diffuser with closed port-cover was computed first, and then that result was applied as initial conditions after port-cover opened. Terminal shock was developed as a result of increased pressure in a combustor due to combustion and ramjet operated at supercritical condition. For a smaller nozzle throat area, buzz instability was occurred. Strong pressure oscillations were observed as a result of forward and backward movement of terminal shock and those oscillations were not damped out.

• Journal of the Korean Society of Combustion
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• v.2 no.1
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• pp.39-51
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• 1997

A review of probability density function(PDF) methodology and direct numerical simulation for the purpose of modeling turbulent combustion are presented in this study where particular attention is focused on the modeling problem of turbulent molecular mixing term appearing in PDF transport equation. Existing mixing models results were compared to those evaluated by direct numerical simulation in a turbulent premixed medium with finite rate chemistry in which the initial scalar field is composed of pockets of partially burnt gases to simulate autoignition. Two traditional mixing models, the least mean square estimations(LMSE) and Curl#s model are examined to see their prediction capability as well as their modeling approach. Test calculations report that the stochastically based Curl#s approach, though qualitatively demonstrates some unphysical behaviors, predicts scalar evolutions which are found to be in good agreement with statistical data of direct numerical simulation.

• 한국연소학회:학술대회논문집
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• 2003.12a
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• pp.3-9
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• 2003

By utilizing a semi-empirical soot model, the applicability of the laminar flamelet concept for simulating the formation and oxidation of soot in the laminar diffusion flame has been studied. The source terms for two transport equations of the soot formation and oxidation are calculated in the mixture fraction/scalar dissipation rate space for laminar flamelets and stored in a library. In this study, emphasis is given to the interaction associated with radiation and soot formation. The radiative heat loss is obtained by solving the radiative transfer equation using the unstructured grid finite volume method with the WSGGM. The calculated temperatures and soot volume fractions agree relatively well with the experimental data and the previous numerical results of Kaplan et al. using the detailed chemistry.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2008.11a
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• pp.334-337
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• 2008

Three-dimensional unsteady reacting flowfield generated by transverse hydrogen injection into a supersonic mainstream are numerically investigated using DES and finite-rate chemistry model. Comparisons are made with experimental results to investigate the turbulent reacting flow physics. The numerical OH distribution describes well the experimental OH-PLIF result, while the numerical ignition delay time shows some disparity due to the restricted available experimental data.

• Bulletin of the Korean Chemical Society
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• v.33 no.10
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• pp.3285-3292
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• 2012

The interaction of thiazole drug with (6,0) zigzag single-walled boron nitride nanotube of finite length in gas and solvent phases was studied by means of density functional theory (DFT) calculations. In both phases, the binding energy is negative and presenting characterizes an exothermic process. Also, the binding energy in solvent phase is more than that the gas phase. Binding energy corresponding to adsorption of thiazole on the BNNT model in the gas and solvent phases was calculated to be -0.34 and -0.56 eV, and about 0.04 and 0.06 electrons is transferred from the thiazole to the nanotube in the phases. The significantly changes in binding energies and energy gap values by the thiazole adsorption, shows the high sensitivity of the electronic properties of BNNT towards the adsorption of the thiazole molecule. Frontier molecular orbital theory (FMO) and structural analyses show that the low energy level of LUMO, electron density, and length of the surrounding bonds of adsorbing atoms help to the thiazole adsorption on the nanotube. Decrease in global hardness, energy gap and ionization potential is due to the adsorption of the thiazole, and consequently, in the both phases, stability of the thiazole-attached (6,0) BNNT model is decreased and its reactivity increased. Presence of polar solvent increases the electron donor of the thiazole and the electrophilicity of the complex. This study may provide new insight to the development of functionalized boron nitride nanotubes as drug delivery systems for virtual applications.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.23 no.2
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• pp.175-184
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• 1999

A theoretical study on the turbulent round jet diffusion flame impinging on the wall was carried out to predict the characteristics and structure of Impinging jet flame and heat transfer to the wall. Finite chemistry via Arrhenius equation and eddy dissipation model was adopted as a combustion model, and the Favre averaging and $k-{\varepsilon}$ model were Introduced In the theoretical modeling. The SIMPLE algorithm was applied to the calculation. All the transport properties were considered as the variable depending on the temperature and composition. For the parametric study, the distance from nozzle to impinging wall and Reynolds number at nozzle exit were chosen 88 the major parameters. As the results of the present study, the characteristics of flow fields, the distributions of main variables and each chemical species and the flame shapes were obtained. The heat transfer rate from the flame to the wall and the effective heating area were calculated to investigate the Influences of the major parameters on the heat transfer characteristics.

• Wind and Structures
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• v.13 no.6
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• pp.519-528
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• 2010

A meteorological model, RAMS, and a commercial computational fluid dynamics (CFD) model, FLUENT are combined as a one-way off-line nested modeling system, namely, RAMS/FLUENT system. The system is experimentally applied in the wind simulation over a complex terrain, with which numerical simulations of wind field over Foyeding weather station located in the northwest mountainous area of Beijing metropolis are performed. The results show that the method of combining a meteorological model and a CFD model as a modeling system is reasonable. In RAMS/FLUENT system, more realistic boundary conditions are provided for FLUENT rather than idealized vertical wind profiles, and the finite volume method (FVM) of FLUENT ensures the capability of the modeling system on describing complex terrain in the simulation. Thus, RAMS/FLUENT can provide fine-scale realistic wind data over complex terrains.