• Title/Summary/Keyword: Nonequilibrium Chemistry

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Prediction of NOx Formation Characteristics in Turbulent Nonpremixed Hydrogen-Air Jet Flames (비예혼합 수소-공기 난류제트화염내의 NOx 생성특성 예측)

  • Kim, S.K.;Kim, Y.M.;Ahn, K.Y.;Oh, K.S.
    • 한국연소학회:학술대회논문집
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    • 1998.10a
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    • pp.165-170
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    • 1998
  • Turbulent nonpremixed $H_2$-air jet flames are numerically investigated using the joint PDF model. The reaction progress variable is derived by assuming the radicals 0, H, and OH to be in partial equilibrium and additional species $HO_2$ and $H_2O_2$ in steady state. The model is extended to npnadiabatic flame by introducing additional variable for the transport of enthalpy and radiative source term is calculated using a local, geometry independent model. In terms of flame structure and NO formation, the predicted results are favorably agreed with experimental data. The effects of nonequilibrium chemistry and radiative heat loss on the thermal NO formation are discussed in detail.

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Numerical Modeling for the $H_2/CO$ Bluff-Body Stabilized Flames

  • Kim, Seong-Ku;Kim, Yong-Mo;Ahn, Kook-Young;Oh, Koon-Sup
    • Journal of Mechanical Science and Technology
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    • v.14 no.8
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    • pp.879-890
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    • 2000
  • This study investigates the nonpremixed $H_2/CO$-air turbulent flames numerically. The turbulent combustion process is represented by a reaction progress variable model coupled with the presumed joint probability function. In the present study, the turbulent combustion model is applied to analyze the nonadiabatic flames by introducing additional variable in the transport equation of enthalpy and the radiative heat loss is calculated using a local, geometry independent model. Calculations are compared with experimental data in terms of temperature, and mass fraction of major species, radical, and NO. Numerical results indicate that the lower and higher fuel-jet velocity flames have the distinctly different flame structures and NO formation characteristics in the proximity of the outer core vortex zone. The present model correctly predicts the essential features of flame structure and the characteristics of NO formation in the bluff-body stabilized flames. The effects of nonequilibrium chemistry and radiative heat loss on the thermal NO formation are discussed in detail.

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Numerical Simulation of Laminar Reacting Flows Using Unstructured Finite Volume Method With Adaptive Refinement

  • Kang, Sung-Mo;Kim, Hoo-Joong;Kim, Yong-Mo
    • Journal of the Korean Society of Combustion
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    • v.6 no.2
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    • pp.15-22
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    • 2001
  • A pressure-based, unstructured finite volume method has been applied to couple the chemical kinetics and fluid dynamics and to capture effectively and accurately the steep gradient flame field. The pressure-velocity coupling is handled by two methodologies including the pressure-correction algorithm and the projection scheme. A stiff, operator-split projection scheme for the detailed nonequilibrium chemistry has been employed to treat the stiff reaction source terms. The conservative form of the governing equations are integrated over a cell-centered control volume with collocated storage for all transport variables. Computations using detailed chemistry and variable transport properties were performed for two laminar reacting flows: a counterflow hydrogen-air diffusion flame and a lifted methane-air triple flame. Numerical results favorably agree with measurements in terms of the detailed flame structure.

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Multiscale Simulations of Polymeric Liquids under Flow conditions (유동하 고분자 용융체의 다중스케일 전산모사 기법과 응용)

  • Kim, Jun Mo
    • Prospectives of Industrial Chemistry
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    • v.24 no.3
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    • pp.28-41
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    • 2021
  • 고분자 시스템의 경우 매우 상이한 시간 및 길이 스케일(time and length scale)에 연관된 복잡한 내부 구조(internal structure)를 가지고 있기 때문에 전통적인 실험 방법만으로는 체계적이고 종합적인 연구가 쉽지 않다. 최근 다양한 시간 및 길이 스케일에 연관된 연구를 진행할 수 있는 다중 스케일 전산 모사(multiscale computer simulation) 방법은 이러한 고분자 시스템 연구에 있어서 새로운 대안으로 각광받고 있다. 본 논문에서는 최근 급격한 발전을 이룬 고분자 용액(polymeric liquid) 시스템에 대한 평형(equilibrium) 및 비평형(nonequilibrium) 전산 모사(computer simulation) 방법들에 관해 소개하고 이를 통합적으로 해석할 수 있는 다중 스케일 전산 모사 방법에 대해 여러 가지 사례를 들어 살펴보았다.

Micro-gap DBD Plasma and Its Applications

  • Zhang, Zhitao;Liu, Cheng;Bai, Mindi;Yang, Bo;Mao, Chengqi
    • Journal of the Speleological Society of Korea
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    • no.76
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    • pp.37-42
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    • 2006
  • The Dielectric Barrier Discharge (DBD) is a nonequilibrium gas discharge that is generated in the space between two electrodes, which are separated by an insulating dielectric layer. The dielectric layer can be put on either of the two electrodes or be inserted in the space between two electrodes. If an AC or pulse high voltage is applied to the electrodes that is operated at applied frequency from 50Hz to several MHz and applied voltages from a few to a few tens of kilovolts rms, the breakdown can occur in working gas, resulting in large numbers of micro-discharges across the gap, the gas discharge is the so called DBD. Compared with most other means for nonequilibrium discharges, the main advantage of the DBD is that active species for chemical reaction can be produced at low temperature and atmospheric pressure without the vacuum set up, it also presents many unique physical and chemical process including light, heat, sound and electricity. This has led to a number of important applications such as ozone synthesizing, UV lamp house, CO2 lasers, et al. In recent years, due to its potential applications in plasma chemistry, semiconductor etching, pollution control, nanometer material and large area flat plasma display panels, DBD has received intensive attention from many researchers and is becoming a hot topic in the field of non-thermal plasma.

Mineral chemistry of the volcanic rocks from the northern part of Cheju Island (제주 북부 화산암류의 광물화학)

  • Park, Jun-Beom;Kwon, Sung-Tack
    • The Journal of the Petrological Society of Korea
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    • v.2 no.2
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    • pp.139-155
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    • 1993
  • We have shown that the volcanic rocks from the northern part of Cheju Island can be divided into high $P_2O_5/K_2O$(HPK) and low $P_3O_5/K_2O$(LPK) groups, each with distinct geochemical characteristics(Park and Kwon, 1993a and b). This study reports mineral compositions for plagioc-lase, olivine, and clinopyroxene in order to see the dependence of mineral chemistry on the whole rock composition, and discusses equilibrium relationships between crystal and liquid. Plagioclase and olivine phenocrysts show no compositional differences for the two rock group. However, $Al^{ⅵ}/Al^{ⅳ}$ ratios of clinopyroxenes suggest that pyroxenes have fractionated at deeper level, and that the LPK group might have fractionated at higher pressure than the HPK group. These are in good agreement with our previous interpretation based on whole rock chemistry(Park and Kwon, 1993a). Although subhedral or euhedral form and homogenous composition for most plagioclase and clinopy-roxene phenocrysts suggest equilibrium relationship with liquid, the uncertainties associated with liquid, the uncertainites associated with equilibrium constant for these minerals do not allow testing equilibium relationship between mineral and liquid on the basis of chemistry. On the other hand, olivine phenocrysts in hawaiites, for which Kd is well known, show distinct nonequilibrium relationship with calculated liquid composi-tions, while those in other rock compositions are in equilibrium from those for other rocks. We report for the first time as far as we know plagioclase xenocryst and pigeonite inclusion in plagioclase, which indicates assimilation process. In conclusion, these mineralogical observations imply that mag-matic processes underneath the Cheju volcano were not simple.

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A numerical study on the chemically reacting flow at highly altitude (고 고도에서의 화학적 변화를 수반하는 기체 유동에 대한 수치해석적 연구)

  • 이진호;김현우;원성연
    • Journal of the Korea Institute of Military Science and Technology
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    • v.4 no.2
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    • pp.202-214
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    • 2001
  • In this paper the upwind flux difference splitting Navier-Stokes method has been applied to study quasi one-dimensional nozzle flow and axisymmetric sphere-cone($5^{\circ}$) flow for the perfect gas, the equilibrium and the nonequilibrium chemically reacting hypersonic flow. The effective gamma(${ \tilde{\gamma}}$), enthalpy to internal energy ratio was used to couple chemistry with the fluid mechanics for equilibrium chemically reacting air. The influences of the various altitude(30km, 50km) at Mach number(15.0, 20.0) were investigated. The equilibrium shock position was located farthest downstream when compared with those of perfect gas in a quasi one-dimensional nozzle. The equilibrium shock thickness over the blunt body region was much thinner than that of perfect gas shock.

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Numerical Analysis of Hypersonic Flow over Small Radius Blunt Bodies (작은 크기의 무딘 물체에 대한 극초음속 유동의 수치해석)

  • Lee Chang Ho;Park Seung O
    • 한국전산유체공학회:학술대회논문집
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    • 2002.05a
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    • pp.109-114
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    • 2002
  • The effect of nose radius on aerodynamic heating are investigated by using the Wavier-Stokes code extended to thermochemical nonequilibrium airflow. A spherical blunt body, whose radius varies from 0.003048 m to 0.6096 m, flying at Mach 25 at an altitude of 53.34 km is considered. Comparison of heat flux at stagnation point with the solution of Viscous Shock Layer and Fay-Riddell are made. Obtained result reveals that the flow chemistry for very small radius is nearly frozen, and therefore the contribution of heat flux due to chemical diffusion is smaller than that of translational energy. As the radius becomes larger, the portion of diffusion heat flux becomes greater than translational heat flux and approaches to a constant value.

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A Numerical Study On Various Energy and Environmental Systems (에너지${\cdot}$환경 제반 시스템에 관한 수치해석적 연구)

  • Jang D.S.;Song W.Y.;Na H.R.;Park B.S.;Lee E.J.;Kim B.S.
    • 한국전산유체공학회:학술대회논문집
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    • 1995.10a
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    • pp.160-168
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    • 1995
  • This paper describes computational efforts on the various energy and environmental problems using Patankar's SIMPLE method. The specific problems included in this study are : pollutant and flammable material dispersions in open and confined areas, aerator-induced flow in a lake for DO(dissolved oxygen) concentration, primary clarifier for water and waste water treatment, hood ventilation in workplace, cyclone and LNG combustors and Dow chlorination reactor. A control-volume based finite-difference method is employed together with the power-law scheme. The pressure-velocity coupling is resolved by the use of the revised version of SIMPLE, says SIMPLER and SIMPLEC. The Reynolds stresses are closed using the standard or the RNG $k-{\varepsilon}$ models. Turbulent reaction is modeled using two fast chemistry methods such as eddy breakup and conserved scalar models. Further, a nonequilibrium model is developed for the application of the chlorination process in the Dow reactor. Other important empirical models and physical insights appeared in this study are presented and discussed in a brief note. The computational method developed in this study is considered, in general, as a viable tool for the design and determination of the optimal condition of various engineering system of interest.

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Generation of Low Temperature Plasma at Atmospheric Pressure and its Application to Si Etching in Open Air (대기압 비평형 플라스마의 발생 및 규소(Si)식각에의 응용)

  • Lee, Bong-Ju
    • Journal of the Korean Ceramic Society
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    • v.39 no.4
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    • pp.409-412
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    • 2002
  • Under atmospheric pressure, apparently homogeneous and stable plasma can be generated from insulator barrier rf plasma generators each of which has an rf powered cathode and a grounded anode covered with a dielectric insulating material. In order to characterize the generating plasma under atmospheric pressure, some basic characteristic have been evaluated by the Langmuire probe method as well as by optical emission spectroscopy. From the result of plasma characteristics, the generated plasma was verified to be nonequilibrium; T(electron)>T(excitation)>T(gas). High rate Si(100) etching (($1.5{\mu}m$/min) were achieved by using He plasma containing a small amount of $CF_4$.