• Title/Summary/Keyword: Defect chemistry

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Laminar Flamelet Modeling of Combustion Processes and NO Formation in Nonpremixed Turbulent Jet Flames (Laminar Flamelet Model을 이용한 비예혼합 난류제트화염의 연소과정 및 NO 생성 해석)

  • Kim, Seong-Ku;Kim, Hoo-Joong;Kim, Yong-Mo
    • 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.

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Laminar Flamelet Modeling of Combustion Processes and NO Formation in Nonpremixed Turbulent Jet Flames (Laminar Flamelet Model을 이용한 비예혼합 난류제트화염의 연소과정 및 NO 생성 해석)

  • Kim, Seong-Ku;Kim, Hoo-Joong;Kim, Yong-Mo
    • 한국연소학회:학술대회논문집
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    • 1999.10a
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    • pp.93-104
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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.

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Preparation and Gas Permeability of ZIF-7 Membranes Prepared via Two-step Crystallization Technique

  • Li, Fang;Li, Qiming;Bao, Xinxia;Gui, Jianzhou;Yu, Xiaofei
    • Korean Chemical Engineering Research
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    • v.52 no.3
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    • pp.340-346
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    • 2014
  • Continuous and dense ZIF-7 membranes were successfully synthesized on ${\alpha}-Al_2O_3$ porous substrate via two-step crystallization technique. ZIF-7 seeding layer was first deposited on porous ${\alpha}-Al_2O_3$ substrate by in-situ low temperature crystallization, and then ZIF-7 membrane layer can be grown through the secondary high-temperature crystallization. Two synthesis solutions with different concentration were used to prepare ZIF-7 seeding layer and membrane layer on porous ${\alpha}-Al_2O_3$ substrate, respectively. As a result, a continuous and defect-free ZIF-7 membrane layer can be prepared on porous ${\alpha}-Al_2O_3$ substrate, as confirmed by scanning electron microscope. XRD characterization shows that the resulting membrane layer is composed of pure ZIF-7 phase without any impurity. A single gas permeation test of $H_2$, $O_2$, $CH_4$ or $CO_2$ was conducted based on our prepared ZIF-7 membrane. The ZIF-7 membrane exhibited excellent H2 molecular sieving properties due to its suitable pore aperture and defect-free membrane layer.

Infrared Spectra and Electrical Conductivity of The Solid Solutions X MgO + (1-X) ${\alpha}-Nb_2$ $O_5$; 0.01{\leq}X{\leq}0.09

  • Park Zin;Park, Jong Sik;Lee Dong Hoon;Jun Jong Ho;Yo Chul Hyun;Kim Keu Hong
    • Bulletin of the Korean Chemical Society
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    • v.13 no.2
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    • pp.127-131
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    • 1992
  • Changes in network structures of ${\alpha}-Nb_2O_5$ in the X MgO+(1-X) ${\alpha}-Nb_2O_5$ solid solutions occurring as the MgO doping level (X) was varied were investigated by means of infrared spectroscopy and X-ray analysis. X-ray diffraction revealed that all the synthesized specimens have the monoclinic structure. The FT-IR spectroscopy showed that the system investigated forms the solid solutions in which $Mg^{2+}$ ions occupy the octahedral sites in parent crystal lattice. Electrical conductivities were measured as a function of temperature from 600 to $1050{\circ}$ and $P_{O2}$ form $1{\times}10^{-5}$ to $2{\times}10^{-1}$ atm. The defect structure and conduction mechanism were deduced from the results. The $1}n$ value in ${\alpha}{\propto}{P_{O2}^{1}n}}$ is found to be -1/4 with single possible defect model. From the activation energy ($E{\alpha}$ = 1.67-1.73 eV) and the1/n value, electronic conduction mechanism is suggested with a doubly charged oxygen vacancy.

Application of Multichannel Quantum Defect Theory to the Triatomic van der Waals Predissociation Process

  • Chun-Woo Lee
    • Bulletin of the Korean Chemical Society
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    • v.12 no.2
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    • pp.228-238
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    • 1991
  • Generalized multichannel quantum defect theory [C. H. Greene et al. Phys. Rev., A26, 2441 (1982)] is implemented to the vibrational predissociation of triatomic van der Waals molecules. As this is the first one of such an application, the dependences of the quantum defect parameters on energy and radius are examined carefully. Calculation shows that, in the physically important region, quantum defect parameters remain smoothly varying functions of energy for this system as in atomic applications, thus allowing us very coarse energy mesh calculations for the photodissociation spectra. The choice of adiabatic or diabatic potentials as reference potentials for the calculation of quantum defect parameters as done by Mies and Julienne [J. Chem. Phys., 80, 2526 (1984)] can not be used for this system. Physically motivated reference potentials that may be generally applicable to all kinds of systems are utilized instead. In principle, implementation can be done to any other predissociation processes with the same method.

Nonstoichiometry of the Tungsten Oxide (산화 텅스텐의 비화학량론)

  • Ryu, Kwang Hyun;Oh, Eung Ju;Kim, Keu Hong;Yo, Chul Hyun
    • Journal of the Korean Chemical Society
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    • v.39 no.3
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    • pp.157-162
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    • 1995
  • The x values and electrical conductivities of the nonstoichiometric compounds $WO_{3-x}$ have been measured in the temperature range from 350 to 700$^{\circ}C$ under oxygen partial pressure of $2{\times}10_{-1}\;to\;1{\times}10_{-5}$ atm. The enthalpy of the defect formation shows an endothermic process, and the oxygen pressure dependence of the defect formation or 1/n varies from -1/5.2 to -1/5.9. The activation energy and 1/n value for the electrical conductivity are 0.24~0.29 eV and -1/4.3~-1/7.6, respectively. The Tungsten Oxide as a n-type semiconductor has predominently defect model of singly charged oxygen vacancy at low temperature, and of doubly charged oxygen vacancy at high temperature.

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A Case of Atrial Septal Defect (ASD) in a Miniature Schunauzer Dog (Miniature Schunauzer Dog에서 발생한 심방중격 결손 증례)

  • Park, Chul;Choi, Chi-bong;Kim, Il-hwan;Park, Hee-myung
    • Korean Journal of Veterinary Research
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    • v.43 no.2
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    • pp.307-310
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    • 2003
  • An atrial septal defect (ASD) is congenital heart disease with a communication between the atria, which allows blood to shoot from the atrium with pressure. A 3-month-old female Miniature Schunauzer was referred to the Veterinary Teaching Hospital of Konkuk University for the evaluation of systolic heart murmur. At presentation, the mucous membrane was cyanotic. On physical examination, an ejection-type systolic murmur was auscultated at the pulmonic area. In addition, thoracic radiography showed enlargement of main pulmonary artery and right atrial/ventricular enlargement. Echocardiography revealed dilated right atrium and atrial septal defect. However, mitral and tricuspid valve were still intact and well tolerating. The presence of an ASD was confirmed by identifying flow across the defect with color Doppler imaging. Doppler echocardiography provides a means of non-invasive documentation and quantification of ASD. Complete blood count and serum chemistry were not remarkable. Although large defect was confirmed between the two atrium, the patient did not show any obvious clinical signs of heart failure at this time.

Electrical Conductivity of S$m_2O_3-ZrO_2$ Systems (S$m_2O_3-ZrO_2$계의 전기전도성)

  • Jeong Hwan Cho;Keum Hwi Chang;Keu Hong Kim;Yong Bae Kim;Jae Shi Choi
    • Journal of the Korean Chemical Society
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    • v.29 no.6
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    • pp.608-614
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    • 1985
  • Electrical conductivities of $ZrO_2-Sm_2O_3$ systems containing 10, 20, 30, 40, and 50 mol% of $ZrO_2$ have been measured as a function of temperature and of oxygen partial pressure at temperature from 500 to 1000${\circ}C$ and oxygen partial pressures from 1 ${\times}10^{-5}to 1{\times}10^{-1}$ atm. Plots of log conductivity vs. 1/T are found to be linear with an inflection point at around 650$^{\circ}C$ and the temperature dependence of conductivity shows two different defect structures. The conductivities are increased with increasing pressure, slowing a p-type character. The electrical conductivity dependences on $Po_2$ are found to be ${\sigma}{\propto}Po_2^{1/5.3}$ at 650∼1000$^{\circ}C$ and ${\sigma}{\propto}Po_2^{1/6}$ at 500∼650$^{\circ}C$, respectively, The defect structures are Oi" at 650-1000$^{\circ}C$ and $Vs_m$"' at 500-650$^{\circ}C$. The electron hole is main carrier type, however ionic contribution is found at low temperature portion. Ionic contributions increased with the increasing amount of $ZrO_2$ dopant. In 60mol% $ZrO_2-Sm_2O_3$ system, the conductivity is increased with decreasing oxygen pressure.

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Defect Chemistry in Simple ATi$O_3$Perovskite Ceramics (ATi$O_3$단순 페롭스카이트의 결함구조)

  • Han, Yeong-Ho
    • Korean Journal of Materials Research
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    • v.2 no.4
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    • pp.248-256
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    • 1992
  • This paper has reviewed some of the basic principles that underlie the field of defect chemistry in simple ATi$O_3$(A=Ca, Sr, Ba) perovskites. Frenkel defects in perovskite structure is very much unlikely, and Schottky defects and intrinsic electronic defects in undoped materials are negligibly small compared with background acceptor impurities. The electrical properties of perovskite ceramics are dependent on the aliovalent impurities. Since perovskite structure is a ternary system, the stoiohiometry between cations as well as cation-anion ratio will affect defect structure and electrical properties. BaTi$O_3$and SrTi$O_3$show a limited deviation from the cation stoichiometry while CaTi$O_3$has significant excess CaO and Ti$O_2$solubility.

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