• Title/Summary/Keyword: NO 분자

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First-principles molecular dynamics study of NO adsorption on Si(001) (Si(001)에 흡착되는 NO에 대한 제일원리 분자동역학 연구)

  • Jeong Sukmin
    • Journal of the Korean Vacuum Society
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    • v.14 no.2
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    • pp.97-102
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    • 2005
  • NO adsorption can be used in synthesizing oxynitride thin films which have potential application in nanodevices. However, it is very difficult to understand the oxynitridation Process since too many factors are involved in it. In this paper, we present our first-principles molecular dynamics calculation of the NO molecule adsorption on the Si(001) surface as the initial stage of the oxynitridation process. The previous first-principles calculation has argued the NO molecule is dissociated with a very small activation barrier, 0.07eV, which acutally corresponds to 1.60eV considering thermodynamics. This is in clear contrast to the observation that NO is dissociated at temperatures as low as 20K From extensive searches of NO on the Si(001) surface, we have found the new dissociation processes that have the much lower activation energies, less than 0.01 eV. We also present the dissociation and penetration processes with the corresponding activation energies and discuss their experimental implications.

A Study on the Reduction of Nitric Oxide Molecule (NO) to Nitroxyl Anion (NO-) by Vibrational Energy (진동에너지에 의한 산화질소 분자(NO)의 음이온(NO-)으로의 환원반응에 관한 연구)

  • Cho, Seon-Woog
    • Journal of the Korean Chemical Society
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    • v.46 no.1
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    • pp.14-18
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    • 2002
  • It is shown that one-electron reduction of nitric oxide (NO) to nitroxyl anion $(NO^-)$ can be accelerated by vibrational energy. Potential energy surfaces of NO and $NO^-$ reveal that the vertical transition between them has favorable energetics for vibrationally excited molecule. Also, Franck-Condon factors between NO and $NO^-$ vibrational wave functions are calculated. It shows that the number of open channels increases with increased vibrational energy. These results mean that we can control the rate of reduction of NO to $NO^-$ by radiating an appropriate light.

A Spatio-Temporal Density Measurement of NO Molecules in Pulsed Barrier Discharge Using Laser Induced Fluorescence (레이져 유기형광법을 이용한 펄스 배리어 방전 공간에서의 NO분자에 대한 시·공간적 밀도변화 측정)

  • Han, Sang-Bo
    • Journal of the Korean Institute of Illuminating and Electrical Installation Engineers
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    • v.24 no.5
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    • pp.160-168
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    • 2010
  • This paper tried to find out NO generation and removal mechanisms in the space of the atmospheric pulsed barrier discharge using laser induced fluorescence method, which is a very effective approach to the measurement of spatio-temporal density of specific molecules. The propagation velocity of the primary streamer reaches about $2.7{\times}10^6$[m/s] and the secondary streamer is produced in the vicinity of positive electrode after the primary streamer finished. In this work, pulse Nd:Yag and Dye lasers are used for generating the specific wavelength of 226[nm], which is possible to excite NO molecules into $A^2{\Sigma}^+{\rightarrow}X^2{\prod}$(0,0) and fluorescence signals as the transition of $A^2{\Sigma}^+{\leftarrow}X^2$(0,2) is measured. For the effective removal of NO molecules in the plasma discharge process, the lower oxygen contents are needed and the influence of secondary streamer for the reduction mechanism of NO molecules is important

The Crystal and Molecular Structure of Fenothiocarb, $C_{13}H_{19}NO_2S$. (Fenothiocarb, $C_{13}H_{19}NO_2S$의 결정 및 분자구조)

  • 박권일;조성일
    • Korean Journal of Crystallography
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    • v.6 no.2
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    • pp.63-68
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    • 1995
  • The crystal structure of fenothiocarb(S-4-phenoxybutyl dimethylthiocarbamate), C13H19NO2S is monoclinic, space group P21/c, a=9.045(1)Å, b=14.577(2)Å, c=10.727(2)Å, β=103.56(1)°, Z=4, V=1375.20(6)Å3, Dc=1.23g/cm3, λ(Mo-Kα)=0.71069Å, μ=2.3cm-1, F(000)=544, temperature : 293±3K, R=0.049 for 1543 unique observed reflections. The structure was determined by direct method and refined by full-matrix least squares method. The molecules are contacted to the c axis with two fold screw and van der Waales force.

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Numerov-Cooley Method on a Potential of NO Molecule (산화질소 분자 퍼텐셜에 적용한 Numerov-Cooley 방법)

  • Cho, Seon-Woog
    • Journal of the Korean Chemical Society
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    • v.51 no.2
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    • pp.125-128
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    • 2007
  • In applying Numerov-Cooley method, Excel tool ‘Solver' is used to match those two wave functions propagated inward and outward, respectively. It is numerically confirmed that the same eigenvalue is obtained by using the average of two energy values of each inward and outward wave functions. This method is applied to a NO molecule potential, and we calculated the variations of the average bond distance and tunneling for a given vibrational energy. It is found that the average bond lengths increase proportionately to the vibrational energy, while the tunneling is not so sensitive to the energy changes. Rather substantial amount of tunnel effect is found for every vibrational state.

Comparison of the Anti-inflammatory Effects of the Extracts from Rubus coreanus and Rubus occidentalis (토종 복분자와 외래종 복분자 추출물의 항염증효과 비교)

  • Yang, Hyun-Mo;Lim, Soon-Sung;Lee, Yeon-Sil;Shin, Hyun-Kyung;Oh, Yang-Seok;Kim, Jin-Kyung
    • Korean Journal of Food Science and Technology
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    • v.39 no.3
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    • pp.342-347
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    • 2007
  • The dried fruit of the Rubus coreanus, which is well-known in Korea and referred to as 'Bokbunja,' has been employed as a traditional medicine for centuries. This crude drug has been utilized in Korea for the management of impotence, spermatorrhea, enuresis, asthma, and allergic diseases. Our previous study demonstrated that the ethanol extracts of R. coreanus have anti-inflammatory effects. The principal objective of the present study was to conduct a comparison of the anti-inflammatory effects of the ethanol extracts of R. coreanus and R. occidentalis; here, we tested the unripe (URCE), half-ripened (HRCE), and ripened fruits (RCE) of R. coreanus, and the unripe (UROE), half-ripened (HROE), and ripened fruits (ROE) of R. occidentalis. We found that URCE, UROE, HRCE, and HROE reduced the production of nitric oxide and prostaglandin $E_{2}$ as well as pro-inflammatory cytokines in lipopolysaccharide-stimulated RAW264.7 murine macrophages. Interestingly, the R. coreanus extracts showed stronger inhibitory effects on the production of these inflammatory mediators than the R. occidentalis extracts.

Direct Simulation of Compression and Pumping Characteristics for a Gaede-Type Drag Pump (분자드래그펌프의 압축 밀 배기특성 해석)

  • 이영규;이진원
    • Journal of the Korean Vacuum Society
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    • v.4 no.4
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    • pp.343-349
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    • 1995
  • 게데형 분자드래그펌프의 배기특성을 강구(hard sphere)분자모델과 NTC(No Time Counter)충돌 scheme을 이용한 직접모사 법의 하나인 DSMC(direct simulation Monte Carlo)방법을 이용하여 해석하였다. 해석에 사용된 모델은 높이가 일정하고, 길이가 높이의 1~3000배 사이인 이차원 채널이다. 자유분자영역으로부터 연속체 영역까지의 영역에서 최대압축비와 배기속도를 계산하였다. 계산결과 기존의 최대압축비 이론 결과는 채널내의 압력변화가 클 때는 큰 오차를 유발하는 것을 알 수 있었고, 유동방향의 기체분자의 통과확률은 채널 길이와 출구압력에 관계없이 거의 일정한 값을 갖는다는 것을 발견하였다.

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The Crystal and Molecular Structure of P-toluenesulfonanilide, $C_{13}H_{13}NO_2S$ (P-toluenesulfonanilide, $C_{13}H_{13}NO_2S$의 결정 및 분자구조)

  • 박권일;조성일
    • Korean Journal of Crystallography
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    • v.6 no.1
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    • pp.43-48
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    • 1995
  • The crystal structure of P-toluenesulfonanilide, C13H13NO2S is monoclinic, space group P21/c, a=8.777(1)Å, b=9.784(2)Å, c=15.139(2)Å, β=99.00(1)°, Z=4, V=1284.0(6)Å3, Dc=1.28g/cm33, λ(Mo-Kα)=0.71069Å, μ=2.3cm-1, F(000)=520, Temperature : 293±3K, R=0.038 for 711 Fo<3.0σ unique observed reflection. The structure was determuned by direct method and refined by full-matrix least squares refinement. Two benzene rings have the dihedral angle of 68.4°. Moleculs are accumulated according to the c axis with two fold screw and contacted by van der Walls force.

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Molecular and Crystal Structure of' Metalaxyl, $C_{15}H_{21}NO_4$ (Metalaxyl, $C_{15}H_{21}NO_4$의 분자 및 결정구조)

  • Keun Il Park;Young Kie Kim;Sung Il Cho;Man Hyung Yoo
    • Korean Journal of Crystallography
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    • v.13 no.3_4
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    • pp.148-151
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    • 2002
  • The molecular and crystal structure of metalaxyl C/sub15/H/sub21/NO₄, was determined by single crystal x-ray diffraction study. Crystallographic data for, title compound P2₁/c, a=7.849(4) Å, b=13.081(5) Å, c=15.100(3) Å, β=101.8(2)°, V= 1517.6(3) ų, Z=4. The molecular. Structure model was solved by direct method and refined by full-matrix least- squares. The final reliable factor, R, is 0.067 for 1694 independent reflections (F/sub o//sup 2/>4σ(F/sub o//sup 2/)). The molecular structure of title compound shows an intramolecular hydrogen bond: Cl2-Hl2A…O1.

초고속 자기부상형 터보복합분자 펌프 기술 개발

  • Park, Yong-Tae;Nam, U-Ho;No, Seung-Guk;Kim, In-Chan;No, Gyeong-Tae
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.08a
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    • pp.19-19
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    • 2010
  • 복합분자펌프는 기존의 터보분자펌프 turbine blade에 spiral grooved를 추가하여 초고진공 ($10^{-8}Pa$)에서 저진공(330Pa)까지 넓은 압력범위에서 사용할 수 있고 이 펌프를 사용함으로서 완전 oil free한 진공시스템을 만들 수 있는 특징을 가지고 있다. 특히, 회전체를 비접촉으로 지지하는 자기베어링 방식을 적용함으로써, 진동은 극히 작고 베어링수명은 길면서 중저진공에 대한 배기속도가 크고 임의의 방향으로 접속이 가능하여 반도체 및 디스플레이 제조 공정과 같은 첨단산업의 다양한 분야에 쉽게 적용되고 있으며, 그 적용 분야와 시장은 계속 성장하고 있다. 고 진공과 배기 속도의 달성을 위해서, 고속으로 이동하는 격면과 기체분자를 충돌시켜, 기체 분자를 원하는 방향으로 유도하는 작동원리를 가지고 있다. 특히 공기분자의 밀도가 매우 낮은 희박가스 상태에서 고속 회전하는 blade로 공기분자를 쳐내면서 작동됨으로써 날개의 상하 압력차에 의한 공기력보다도 날개의 고속회전이 매우 중요시되고 압력으로는 $10^{-1}Pa$ 이하의 분자 영역에서 그 성능을 최고로 발휘할 수 있다. 이러한 복합 펌프의 주요 장점은 다음과 같다. 1. $10^{-8}\;Pa$($10^{-10}torr$)~10 Pa(1 torr) 까지 넓은 영역에서 배기가 가능하다. 2. 탄화수계의 대하여 높은 압축특성을 가지고 있고, 윤활유를 사용하지 않으므로 얻을 수 있는 진공상태가 고청정하다. (oil free) 3. 정밀 5축제어 자기베어링으로 완전히 부상하여 회전함으로서 마모가 없고 진동이 최소화 하였을 뿐 만 아니라, 또한 운전음도 거의 없다. 4. 설치조건에 제한이 없고 고장이 거의 없다. 본 논문에서는 이러한 복합분자펌프의 개발을 위하여, 상기 연구기관에서 수행된 내용을 소개하고 이으며, 진공펌프 블레이트 로터 회전체를 포함한 구조설계 및 해석결과와 5자유도 자기베어링 시스템을 이용한 기본 구동 결과를 나타내었다.

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