• Title/Summary/Keyword: HF gas

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Tautomerism of Cytosine on Silver, Gold, and Copper: Raman Spectroscopy and Density Functional Theory Calculation Study

  • Cho, Kwang-Hwi;Joo, Sang-Woo
    • Bulletin of the Korean Chemical Society
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    • v.29 no.1
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    • pp.69-75
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    • 2008
  • Tautomerism of pyrimidine base cytosine has been comparatively examined on nanoparticle and roughened plate surfaces of silver, gold, and copper by surface-enhanced Raman scattering (SERS). The SERS spectrum was found to be different depending on the metals and their substrate conditions suggesting the dissimilar population of various tautomers of cytosine on the surfaces. The ab initio calculations were performed at the levels of B3LYP, HF, and MP2 levels of theory with the LanL2DZ basis set to estimate the energetic stability of the tautomers with the metal complexes as well as the gas phase state. The amino group and N3-coordinated tautomer was predicted to be more favorable for bonding to Au, whereas the hydroxyl and N1-coordinated zwitter ionic form is most stable with Ag and Cu as a bidentate form from the DFT calculation. The binding energy with the Ag atom is calculated to be smaller than those with the Au and Cu atoms in line with the temperature-dependent SERS spectra of cytosine.

Growth of carbon nanotubes on a large area of Si substrate by the thermal chemical vapor deposition (열화학기상증착법에 의한 대면적 실리콘 기판위에서의 탄소나노튜브 성장)

  • 김대운;이철진;이태재;박정훈;손권희;강현근;송홍기;최영철;박영수
    • Proceedings of the IEEK Conference
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    • 1999.06a
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    • pp.954-957
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    • 1999
  • We have synthesized carbon nanotubes by thermal chemical vapor deposition of $C_2$H$_2$ on transition metal-coated silicon substrates. Carbon nanotubes are uniformly synthesized on a large area of the plain Si substrates, different from previously reported porous Si substrates. It is observed that surface modification of transition metals deposited on substrates by either etching with dipping in a HF solution and/or NH$_3$ pretreatment is a crucial step for the nanotube growth prior to the reaction of $C_2$H$_2$gas. We will demonstrate that the diameters of carbon naotubes can be controlled by applying the different transition metals.

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Comparison of combustion gas release for FRP and seat cover materials to the Furnace temperature (연소온도 조건에 따른 FRP 및 시트커버 내장재의 연소가스 발생량 비교)

  • Lee, Duck-Hee;Jung, Woo-Sung;Lee, Cheul-Kyu;Yu, Mun-Chun
    • Proceedings of the KSR Conference
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    • 2007.05a
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    • pp.1527-1532
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    • 2007
  • We have evaluated the toxicity of interior materials for the railway passenger car by checking the release of $CO_2$, CO, NOx, SO2, HCl, HF, HBr, HCN. The NOx is one of the most effective for the determination of Toxic Index R value. It is generally known that the mechanism of thermal NOx generation without the Interior Material nitrogen source. This study started from the idea to check the NOx difference according to the furnace temperature. But from the results, it was revealed that NOx is not so sensitive for the furnace temperature in case of solid burning. Other gases such as HCN, CO were more changeable to the furnace Temp. We reported the test result as for toxicity index r(x).

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Mechanical Properties of Zirconia-Based Ceramic Materials for Thermal Barrier Coating (열차폐 코팅을 위한 지르코니아계 세라믹 소재의 기계적 특성)

  • Jung, Kyu-Ick;Kim, Tae-Woo;Paik, Ungyu;Lee, Kee-Sung
    • Journal of the Korean Ceramic Society
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    • v.43 no.8 s.291
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    • pp.498-503
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    • 2006
  • A gas turbine blade with thermal barrier ceramic coating is operated at high temperature to increase engine efficiency. Recently, thermal barrier characteristics have been improved by advanced coating technology through microstructure control and increase of adhesion force of the coating layer. More advanced coating materials, rare earth zircon ate ceramics have been studied for replacing YSZ coatings as thermal barrier coatings. In this study, $La_2O_3,\;HfO_2,\;CeO_2,\;Gd_2O_3$ and pure or yttria stabilized zirconia were prepared. Microstructure analysis and the evaluation of mechanical properties such as Hertzian indentation and hardness test were performed.

Fabrication of Cylindrical Macroporous Silicon and Diaphragms (원통형 메크로기공을 갖는 다공질 실리콘과 다이어프램의 제작)

  • 민남기;이치우;하동식;정우식
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.11 no.8
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    • pp.620-627
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    • 1998
  • For chemical microsensors such as humidity and gas sensors, it is essential to obtain a single pore with a large inner surface and straight structure. In this paper, cylindrical macroporous silicon layers have been formed of p-silicon substrate by anodization in HF-ethanol-water solution with an applied current. The pores grew normal to the (100) surface and were uniformly distributed. The pore diameter was approximately $1.5~2{\mu}m$ with a depth of $20~30{\mu}m$ and the pores were not interconnected, which are in sharp contrast to the porous silicon reported previouly for similarly doped p-Si. Porous silicon diaphragms 18 to $200{\mu}m$ thick were formed by anistropic etching in TMAH solution and then anodization. The fabrication of macroporous silicon and free-standing diaphragms is expected to offer applications for microsensors, micromachining, and separators.

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Structures and N→Si Bond Characters of 1-Fluorosilatrane and the Silatranyl Cation

  • Lee, Hyo-Sug;Bae, Cheol-Beom;Do, Young-Kyu;Lee, Yoon-Sup
    • Bulletin of the Korean Chemical Society
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    • v.23 no.2
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    • pp.215-220
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    • 2002
  • The structures of 1-fluorosilatrane and the silatranyl cation were calculated by Hartree-Fock (HF), Mofller-Plesset second order (MP2), and various density functional theory (DFT) methods using many different basis sets, demonstrating that the Si-N bonds in two species are quite different. The N${\rightarrow}$Si bond distance of 1-fluorosilatrane from the hybrid DFT calculations $({\sim}2.32{\AA})$ using the Perdew-Wang correlation functional agrees with the gas phase experimental value $(2.324{\AA})$, while other functionals yield larger distances. The MP2 bond distance (2.287${\AA}$ with 6-311$G^{\ast}$) is shorter, and the HF one (2.544 ${\AA}$ with 6-311$G^{\ast}$) larger than those of DFT calculations. The MP2 bond distance is in good agreement with experiment indicating that the electron correlations are crucial for the correct description of the N${\rightarrow}$Si interaction. The silatranyl cation is a stable local minimum on the potential energy surface in all methods employed suggesting that the cation could be a reaction intermediate. The Si-N bond length for the cation is about 1.87 ${\AA}$ for all calculations tested implying that the Si-N bond is mainly conventional. Bonding characteristics of the Si-N bond in two species derived from the natural bond orbital analysis support the above argument based on calculated bond lengths.

Design and Implementation of Prototype Anti-disaster Remote Control Robot Model using Smart Phone (스마트폰을 이용한 방재용 원격 조정 로봇의 프로토 타입 모델 설계 및 구현)

  • Choi, Sung-Jai
    • The Journal of the Institute of Internet, Broadcasting and Communication
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    • v.14 no.6
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    • pp.221-227
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    • 2014
  • This paper presented a design which was a minimized remote control robot. This remote control robot was created for preventing life damage from conflagrations, nuclear events and HF gas accidents. This robot's system based smart phone that had camera and GPS systems. When fire came out, The robot figured out that how big fire was, where the fire was started and various aspects of situations. And The robot broadcasted the informations to smart phone using mobile application and wi-fi camera. By doing these, the fire mans could more accurate and be easier to plan a strategy for saving life. The body of robot are 2 parts. One is a car and the other one is a remote controller. By the power, 1step to 10steps, of grabbing remote controller could change the car's speed to move. Also, The prototype robot was already confirmed its utility itself.

Effects of $CH_{2}F_{2}$ and $H_2$ flow rates on process window for infinite etch selectivity of silicon nitride to PVD a-C in dual-frequency capacitively coupled plasmas

  • Kim, Jin-Seong;Gwon, Bong-Su;Park, Yeong-Rok;An, Jeong-Ho;Mun, Hak-Gi;Jeong, Chang-Ryong;Heo, Uk;Park, Ji-Su;Lee, Nae-Eung
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2009.05a
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    • pp.250-251
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    • 2009
  • For the fabrication of a multilevel resist (MLR) based on a very thin amorphous carbon (a-C) layer an $Si_{3}N_{4}$ hard-mask layer, the selective etching of the $Si_{3}N_{4}$ layer using physical-vapor-deposited (PVD) a-C mask was investigated in a dual-frequency superimposed capacitively coupled plasma etcher by varying the following process parameters in $CH_{2}F_{2}/H_{2}/Ar$ plasmas : HF/LF powr ratio ($P_{HF}/P_{LF}$), and $CH_{2}F_{2}$ and $H_2$ flow rates. It was found that infinitely high etch selectivities of the $Si_{3}N_{4}$ layers to the PVD a-C on both the blanket and patterned wafers could be obtained for certain gas flow conditions. The $H_2$ and $CH_{2}F_{2}$ flow ratio was found to play a critical role in determining the process window for infinite $Si_{3}N_{4}$/PVDa-C etch selectivity, due to the change in the degree of polymerization. Etching of ArF PR/BARC/$SiO_x$/PVDa-C/$Si_{3}N_{4}$ MLR structure supported the possibility of using a very thin PVD a-C layer as an etch-mask layer for the $Si_{3}N_{4}$ layer.

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The study of quantitative analysis for noxious gases of plastic materials by remote sensing open path FT-IR spectrometer (원격 측정용 개방 경로형 FT-IR spectrometer를 사용하여 플라스틱 재료의 유해 가스 정량 분석에 관한 연구)

  • Cho, Nam-Wook;Cho, Won-Bo;Kim, Hyo-Jin
    • Analytical Science and Technology
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    • v.25 no.4
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    • pp.230-235
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    • 2012
  • It is to use many plastic materials as living essential goods. But when the fire is happened, owing to noxious gases, many men should be injured. Therefore as the noxious gases are measured by open path FT-IR spectrometer as remote monitoring, the demage of men could be minimized. Such this system consists of a Fourier transform spectrometer and infrared lamp fitted to long length. The study was to do the quantitative analysis on CO, $NO_2$, HCl, HF gas by remote monitoring open path FT-IR spectrometer. And the method of it should use MLR (multiple linearity regression) method. As result, It was confirmed to be more than 0.95 as $R^2$ of MLR. And then Urethane and PVC of plastic materials selected was burned, the concentration of polluted gases were measured by remote monitoring method.

Habitability evaluation considering various input parameters for main control benchboard fire in the main control room

  • Byeongjun Kim ;Jaiho Lee ;Seyoung Kim;Weon Gyu Shin
    • Nuclear Engineering and Technology
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    • v.54 no.11
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    • pp.4195-4208
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    • 2022
  • In this study, operator habitability was numerically evaluated in the event of a fire at the main control bench board (MCB) in a reference main control room (MCR). It was investigated if evacuation variables including hot gas layer temperature (HGLT), heat flux (HF), and optical density (OD) at 1.8 m from the MCR floor exceed the reference evacuation criteria provided in NUREG/CR-6850. For a fire model validation, the simulation results of the reference MCR were compared with existing experimental results on the same reference MCR. In the simulation, various input parameters were applied to the MCB panel fire scenario: MCR height, peak heat release rate (HRR) of a panel, number of panels where fire propagation occurs, fire propagation time, door open/close conditions, and mechanical ventilation operation. A specialized-average HRR (SAHRR) concept was newly devised to comprehensively investigate how the various input parameters affect the operator's habitability. Peak values of the evacuation variables normalized by evacuation criteria of NUREG/CR-6850 were well-correlated as the power function of the SAHRR for the various input parameters. In addition, the evacuation time map was newly utilized to investigate how the evacuation time for different SAHRR was affected by changing the various input parameters. In the previous studies, it was found that the OD is the most dominant variable to determine the MCR evacuation time. In this study, however, the evacuation time map showed that the HF is the most dominant factor at the condition of without-mechanical ventilation for the MCR with a partially-open false ceiling, but the OD is the most dominant factor for all the other conditions. Therefore, the method using the SAHRR and the evacuation time map was very useful to effectively and comprehensively evaluate the operator habitability for the various input parameters in the event of MCB fires for the reference MCR.