• 항공우주시스템공학회지
• /
• 제1권2호
• /
• pp.37-42
• /
• 2007

This paper proposes a numerical modeling approach to simulate the hybrid combustion phenomena. From the physical understandings of hybrid combustion, the computational domain was separated into three regions: the solid fuel, gas phase reactive flow, and the interface between solid and fluid. Moreover, for the accurate calculation, computational grids for these regions was generated at every time step considering the instantaneous moving interface which are governed by the balance equations using thermal pyrolysis. In the domain of reactive flow, by virtue of diffusion flame structure, turbulent combustion modeling was introduced using either mixture fraction approach or mean reaction rate approach.

• 한국수소및신에너지학회논문집
• /
• 제5권2호
• /
• pp.65-71
• /
• 1994

Electrochemical and thermodynamic properties of $MmNi_5$ and the related alloys for nickel-metal hydride battery(Ni-MH) were studied in terms of the equilibrium hydrogen pressure. $MmNi_5$ alloy with high equilibrium hydrogen pressure(10~20atm at room temperature), which is usually difficult to charge, was substituted for Al in part. Partial substitution of Al made not only the equilibrium pressure to be reduced remarkably, but also the enthalpy change depending on the formation of metal hydride to be agreed to the value in gas phase reaction and electrochemical reaction. Besides the composition of Al which can be given the maximum discharge capacity was turned out to be between the 0.5~1.0 atoms of Al.

• 한국신재생에너지학회:학술대회논문집
• /
• 한국신재생에너지학회 2010년도 추계학술대회 초록집
• /
• pp.131.2-131.2
• /
• 2010

서부 발전 태안화력발전소에 건설 예정인 IGCC Demo plant의 설계 자료를 근거로 석탄 가스화기의 정상 상태 전산모사를 PRO/II를 사용하여 수행하였다. 석탄을 PRO/II가 받아들일 수 있는 성분으로 바꾼 후 가스화기를 버너와 가스화기 본체의 두 부분으로 나누어 모델링하였다. 버너는 단열조건의 Gibbs Reactor로 모델링하였다. 모사 결과 산소가 완전 소진될 때까지 반응이 진행되는 것을 확인하였다. 가스화기는 char gasification 반응은 kinetic reaction equation으로, gas phase reaction은 equilibrium reactor로 모사하는 알고리듬을 개발 하였으나 PRO/II의 기능에 한계가 있어 간단한 Gibbs Reactor로 모사하였다. 가스화기는 membrane wall에 의하여 냉각되는 것을 고려하여 $1550^{\circ}C$의 균일한 온도에서 반응이 일어나는 것으로 고려하였다. 전산 모사 결과 주요 성분의 조성이 실제 syngas의 조성과 5% 정도 오차가 있는 것으로 나타났다.

• 한국연소학회:학술대회논문집
• /
• 한국연소학회 1999년도 제19회 KOSCO SYMPOSIUM 논문집
• /
• pp.155-163
• /
• 1999

A numerical study for simulating a swirling pulverized coal combustion in axisymmetric geometry is done here by applying the weighted sum of gray gases model (WSGGM) approach with the discrete ordinate method (DOM) to model the radiative heat transfer equation. In the radiative transfer equation, the same polynomial equation and coefficients for weighting factors as those for gas are adopted for the coal/char particles as a function of partial pressure and particle temperature. The Eulerian balance equations for mass, momentum, energy, and species mass fractions are adopted with the standard ${\kappa}-{\varepsilon}$ turbulence model, whereas the Lagrangian approach is used for the particulate phase for soot. The eddydissipation model is employed for the reaction rate for gaseous mixture, and the single-step first-order reaction model for the devolatilization process for coal. By comparing the numerical results with experimental ones, the models used here are confirmed and found to be one of good alternatives for simulating the combustion as well as radiative characteristics.

• 한국세라믹학회지
• /
• 제49권1호
• /
• pp.124-129
• /
• 2012

An M-shaped SiC gas igniter was fabricated by a reaction sintering followed by nitrogen doping. The igniter showed both resistivity at room temperature and NTC to PTC transition temperature values that were lower than those of commercial igniters. It was deduced that the doped nitrogen reduces the electrical resistivity at room temperature, while, at high temperature, the doped nitrogen and a trace of $Si_3N_4$ phase work as scattering centers against electron transfer, resulting in a lowered NTC-to-PTC transition point (below $650^{\circ}C$). Such characteristics were correlated to the fast heating speed (as compared to the commercial models) and to the prevention of the high temperature overshooting of the nitrogen-doped SiC igniter.

• 대한기계학회:학술대회논문집
• /
• 대한기계학회 2003년도 추계학술대회
• /
• pp.73-78
• /
• 2003

The InP thin films grown by metalorganic chemical vapor deposition (MOCVD) are widely used to optoelectronic devices such as laser diodes, wave-guides and optical modulators. Effects of various parameters controlling film growth rate such as gas-phase reaction rate constant, surface reaction rate constant and mass diffusivity are numerically investigated. Results show that at the upstream region where film growth rate increases with the flow direction, diffusion including thermal diffusion plays an important role. At the downstream region where the growth rate decreases with flow direction, film deposition mechanism is revealed as a mass-transport limited. Mass transport characteristics are also studied using systematic analyses.

• 한국진공학회:학술대회논문집
• /
• 한국진공학회 2012년도 제42회 동계 정기 학술대회 초록집
• /
• pp.418-418
• /
• 2012

We fabricated a new type of hybrid film using molecular layer deposition (MLD). The MLD is a gas phase process analogous to atomic layer deposition (ALD) and also relies on a saturated surface reaction sequentially which results in the formation of a monolayer in each sequence. In the MLD process, polydiacetylene (PDA) layers were grown by repeated sequential surface reactions of titanium tetrachloride and 2,4-hexadiyne-1,6-diol with ultraviolet (UV) polymerization under a substrate temperature of $100^{\circ}C$. Ellipsometry analysis showed a self-limiting surface reaction process and linear growth of the hybrid films. Polymerization of the hybrid films was confirmed by infrared (IR) spectroscopy and UV-Vis spectroscopy. Composition of the films was confirmed by IR spectroscopy and X-ray photoelectron (XP) spectroscopy. The titanium oxide cross-linked polydiacetylene (TiOPDA) hybrid films exhibited good thermal and mechanical stabilities.

• 한국자동차공학회논문집
• /
• 제10권6호
• /
• pp.80-89
• /
• 2002

The flame structure and soot formation in Acetylene-Air nonpremixed jet flame are numerically analyzed. We employed two variable approach to investigate the soot formation and oxidation processes. The present soot reaction mechanism involves nucleation, surface growth, particle coagulation, and oxidation steps. The gas phase chemistry and the soot nucleation, surface growth reactions are coupled by assuming that the nucleation and soot mass growth has the certain relationship with the concentration of pyrene and acetylene. We also employed laminar flamelet model to calculate the thermo-chemical properties and the proper soot source terms from the information of detailed chemical kinetic model. The numerical and physical model used in this study successfully predict the essential features of the combustion processes and soot formation characteristics in the reaction flow field.

• The Korean Journal of Ceramics
• /
• 제4권4호
• /
• pp.387-393
• /
• 1998

The formation of titanium diboride ($TiB_2$ ) via the reduction of $TiO_2$ with boric oxide and carbon was studied in a partially reducing atmosphere of argon mixed with 4 vol.%H2. The effect of reaction time, temperature, partial pressure of nitrogen and $TiO_2/B_2_O3$ stoichiometric ratio on the reducibility of oxides has been studied. The phases formed were analysed by using X-ray rowder diffraction and scanning sosctron microscopic techniques. In this paper, we also investigated the presence of $CaC_2$ as a reducing agent on the reducibility of oxide mixtures and on the Ti-B-C-Ca-O phase equilibria. The morphology of $TiB_2$ formed in the presence of $CaC_2$ is compared with the microstructure of $TiB_2$ formed as a consequence of carbothermic reduction. The observed variation in $TiB_2$ crystals formed is also explained.

• Bulletin of the Korean Chemical Society
• /
• 제11권3호
• /
• pp.194-200
• /
• 1990

Various mechanistic aspects of the A2 hydrolysis of methyl acetimidate were explored using the MNDO method. As in thecorresponding reactions of acetamide and methyl carbamate, a proton transfer pre-equilibrium exists between the N-protonated and the O-protonated tautomers, and the subsequent hydrolysis proceeds from the more stable N-protonated form. Of the two reaction pathways, the $A_{AL}2$ path is favored in the gas phase and in concentrated acid solutions, whereas the $A_{AC}2$ path is favored in less acidic solutions with a stable cationic tetrahedral intermediate formed in the rate determining step. Negative charge development on the alkoxy oxygen in the transition state suggested a rate increase with the increase in the electron withdrawing power of the alkoxy group. Calculations on the reaction processes with AM1 indicated that MNDO is more reliable in this type of work, although AM1 is better than MNDO in reproducing hydrogen bonds.