• 한국연소학회:학술대회논문집
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• 2000.12a
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• pp.83-91
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• 2000

A numerical study was carried out to investigate the 'unstart' process of thermally-choked combustion in model scramjet engines. The combustion mechanism of supersonic combustor will be compared with the experimental results obtained from the T3 free-piston shock tunnel at ANU (Australian National University) and the high enthalpy supersonic wind tunnel at UT (University of Tokyo). For the numerical simulation of supersonic combustion. multi-species Navier-Stokes equations were considered. and detailed chemistry reaction mechanism of $H_2$-Air were adopted. The governing equations were solved by Roe's FDS method and LU-SGS method with MUSCL scheme. In this study. it is found that the thermal choking process could result from excessive heat release due to combustion. In detail, sufficient heat release could be generated at local region of very high temperature increased by reflection of shock waves or vortex sheets. Accordingly the flow of downstream of the combustor fell to subsonic field propagated upstream along the combustor. Sometimes the subsonic flow field propagated into isolator could generate precombustion shock waves in the isolator.

• Proceedings of the Korea Air Pollution Research Association Conference
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• 2003.05b
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• pp.163-164
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• 2003

Reaction dynamics plays an essential role in understanding the microscopic mechanism of elementary chemical processes at the molecular level. Detailed studies of the reactions of atomic species such as hydrogen and second-row atoms with small closed-shell molecules have provided important insights into hydrocarbon synthesis, combustion, interstellar space and atmospheric chemistry. Despite its mechanistic significance, however, the investigations of atom-radical reaction dynamics are quite scarce in comparison to the extensive studies of atom-molecule reactions. (omitted)

• 한국전산유체공학회:학술대회논문집
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• 1998.05a
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• pp.128-137
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• 1998

In this numerical experiment, the preconditioned compressible Navier-Stokes equation is tested to analyze the laminar spray combustion. Sprayed flow field is formulated by Eulerian-Lagrangian system for the gas and liquid phases each. DSF(Deterministic Separated Flow) model was adopted for the sprays with the vortex model to describe transients of individual droplet heating. Simplified single global reaction model approximates methanol-air reaction with and without disk flame holder. The equation system is discretized by finite difference technique and time integrated by LU-SGS. Due to greatly simplified chemical reaction mechanism and the lack of experimental evidences, most of the efforts were devoted to show the applicability and robustness of preconditioned compressible flow calculation algorithm. Computation results in qualitatively reasonable combusting flow field, hence it is believed that further refinement are required to produce quantitatively accurate solutions.

• Journal of the Korean Society of Combustion
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• v.3 no.2
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• pp.41-50
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• 1998

Numerical simulations of nonpremixed $CH_4/C_2HCl_3$(Trichloroethylene, TCE)/Air flames are conducted at atmospheric pressure in order to understand the effect of hydrocabon bound chlorine on methane/air flames. A chemical kinetic mechanism is employed, the adopted scheme involving 48 gas-phase species and 445 elementray reaction steps containing 223 backward reactions. The calculated temperature, velocity, and critical strain rate are compared with the experiments for the flame (16.1% TCE by Vol.) estabilished at a strain rate of $175s^{-1}$. Whereas there is overall good agreement between predictions and the measurements, it appears that the critical strain rate is higher than measured, and some areas of further refinement in the kinetic mechanism are required.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2003.05a
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• pp.32-33
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• 2003

Mechanism of a periodic oscillation of shock-induced combustion over a two- dimensional wedges and axi-symmetric cones were investigated through a series of numerical simulations at off-attaching condition of oblique detonation waves(ODW). A same computational domain over 40 degree half-angle was considered for two-dimensional and axi-symmetric shock-induced combustion phenomena. For two-dimensional shock-induced combustion, a 2H2+02+17N2 mixture was considered at Mach number was 5.85with initial temperature 292 K and initial pressureof 12 KPa. The Rankine-Hugoniot relation has solution of attached waves at this condition. For axi-symmetric shock-induced combustion, a H2+2O2+2Ar mixture was considered at Mach number was 5.0 with initial temperature 288 K and initial pressure of 200 mmHg. The flow conditions were based on the conditions of similar experiments and numerical studies.[1, 3]Numerical simulation was carried out with a compressible fluid dynamics code with a detailed hydrogen-oxygen combustion mechanism.[4, 5] A series of calculations were carried out by changing the fluid dynamic time scale. The length wedge is varied as a simplest way of changing the fluid dynamic time scale. Result reveals that there is a chemical kinetic limit of the detached overdriven detonation wave, in addition to the theoretical limit predicted by Rankine-Hugoniot theory with equilibrium chemistry. At the off-attaching condition of ODW the shock and reaction waves still attach at a wedge as a periodically oscillating oblique shock-induced combustion, if the Rankine-Hugoniot limit of detachment isbut the chemical kinetic limit is not.Mechanism of the periodic oscillation is considered as interactions between shock and reaction waves coupled with chemical kinetic effects. There were various regimes of the periodicmotion depending on the fluid dynamic time scales. The difference between the two-dimensional and axi-symmetric simulations were distinct because the flow path is parallel and uniform behind the oblique shock waves, but is not behind the conical shock waves. The shock-induced combustion behind the conical shockwaves showed much more violent and irregular characteristics.From the investigation of characteristic chemical time, condition of the periodic instability is identified as follows; at the detaching condition of Rankine-Hugoniot theory, (1) flow residence time is smaller than the chemical characteristic time, behind the detached shock wave with heat addition, (2) flow residence time should be greater than the chemical characteristic time, behind an oblique shock wave without heat addition.

• Fire Science and Engineering
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• v.31 no.4
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• pp.35-42
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• 2017

Large Eddy Simulation (LES) was peformed for the backdraft occurred in a compartment filled with high-temperature methane fuel using the Fire Dynamics Simulator (FDS) of version 6. The prediction performance of FDS, adopted the Eddy Dissipation Concept (EDC) combustion model with five different chemical reaction mechanisms, was evaluated. The temporal distributions of temperature, fuel mass fraction, velocity and pressure were discussed with numerical results and the pressure variation in time was compared with that of previous experiment. The FDS adopted the EDC model showed the possibility of LES for the backdraft phenomena. However, the prediction performance of the LES with EDC model strongly depended on the chemical reaction mechanism considered. It is necessary that the suitability of the chemical reaction mechanism should be validated in advance for LES with the FDS v6 to be applied to the simulation of backdraft.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2001.07a
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• pp.620-623
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• 2001

The peculiarities of using Self-propagating High-temperature Synthesis (SHS) and solid state phase synthesis for production of high temperature superconductor materials are discussed. Oxide superconductors with general formula $ReBa_2$$Cu_3$$O_{7-x}$ (Re= Y, Yb, Sm, Nd) have been made with using barium oxide initial powder instead of traditional barium carbonate. X-ray powder diffraction showed a single phase orthorhombic perovskite structure was produced in all reactions. Phenomena observed during the grinding of the reactant mixture are presented. Mechano-chemical activation - as a pretreatment of the reactant mixture - strongly influences the kinetic parameters, the reaction mechanism, and the composition and structure of the final product.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2012.05a
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• pp.300-303
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• 2012

Global warming has been a serious problem due to excessive emissions of carbon dioxide from the increase of energy consumption. The present study investigates an energy generation mechanism that does not produce carbon dioxide and oxides of nitrogen. A reaction mechanism including sodium borohydride and hydrogen peroxide has been introduced and as a result, thermal energy can be generated from combustion of hydrogen with oxygen. Sodium borohydride dissolved in water reacting with liquid hydrogen peroxide may reveal maximum adiabatic reaction temperature of 1795 K at a mixture ratio of 0.89.

• Transactions of the Korean hydrogen and new energy society
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• v.31 no.5
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• pp.467-479
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• 2020

Various researches are being conducted to reduce greenhouse gases generated by the consumption of traditional energy resources. This study was conducted to numerically analyze the combustion characteristics and N-S reaction behavior with respect to the H₂ content of syngas composed of CO and H₂ in pressurized air combustion. A non-premixed opposed flow flame model was applied a modified detailed mechanism with S-chemistry was developed based on GRI 3.0 to simulate the syngas reaction. As the hydrogen content increased, the flame thickness increased due to the fast reactivity of hydrogen. In the rich region, NO and SO₂ were reduced by reaction with H radical and H bonding of NO was suppressed by the formation of HOSO.

• Advances in Energy Research
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• v.4 no.3
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• pp.213-221
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• 2016

The main purpose of this work is to test the validation of use of a four step reaction mechanism to simulate the laminar speed of hydrogen enriched methane flame. The laminar velocities of hydrogen-methane-air mixtures are very important in designing and predicting the progress of combustion and performance of combustion systems where hydrogen is used as fuel. In this work, laminar flame velocities of different composition of hydrogen-methane-air mixtures (from 0% to 40% hydrogen) have been calculated for variable equivalence ratios (from 0.5 to 1.5) using the flame propagation module (FSC) of the chemical kinetics software Chemkin 4.02. Our results were tested against an extended database of laminar flame speed measurements from the literature and good agreements were obtained especially for fuel lean and stoichiometric mixtures for the whole range of hydrogen blends. However, in the case of fuel rich mixtures, a slight overprediction (about 10%) is observed. Note that this overprediction decreases significantly with increasing hydrogen content. This research demonstrates that reduced chemical kinetics mechanisms can well reproduce the laminar burning velocity of methane-hydrogen-air mixtures at lean and stoichiometric mixture flame for hydrogen content in the fuel up to 40%. The use of such reduced mechanisms in complex combustion device can reduce the available computational resources and cost because the number of species is reduced.