• Title/Summary/Keyword: Dissociation energy

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High rate deposition and mechanical properties of SiOx film on PET and PC polymers by PECVD with the dual frequencies UHF and HF at low temperature

  • Jin, Su-B.;Choi, Yoon-S.;Choi, In-S.;Han, Jeon-G.
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.08a
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    • pp.180-180
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    • 2010
  • The design and implementation of high rate deposition process and anti-scratch property of silicon oxide film by PECVD with UHF power were investigated according to the effect of UHF input power with HF bias. New regime of high rate deposition of SiOx films by hybrid plasma process was investigated. The dissociation of OMCTS (C8H24Si4O4) precursor was controlled by plasma processes. SiOx films were deposited on polyethylene terephthalate (PET) and polycarbonate substrate by plasma enhanced chemical vapor deposition (PECVD) using OMCTS with oxygen carrier gas. As the input energy increased, the deposition rate of SiOx film increased. The plasma diagnostics were performed by optical emission spectrometry. The deposition rate was characterized by alpha-step. The mechanical properties of the coatings were examined by nano-indenter and pencil hardness, respectively. The deposition rate of the SiOx films could be controlled by the appropriate intensity of excited neutrals, ionized atoms and UHF input power with HF bias at room temperature, as well as the dissociation of OMCTS.

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Electrical Resistivity Monitoring of Gas Hydrate Formation (가스하이드레이트 형성 과정의 비저항 모니터링)

  • Lee, J.Y.;Lee, J.H.;Lee, D.S.;Lee, W.S.;Kim, S.J.;Huh, D.G.;Kim, H.T.
    • 한국신재생에너지학회:학술대회논문집
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    • 2008.10a
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    • pp.186-187
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    • 2008
  • Electrical resistivity in hydrate-bearing sediments is sensitive to porosity, gas hydrate saturation, gas content, pore fluid composition, and temperature, so electrical measurements such as well logs and electromagnetic surveys have been used to explore gas hydrate-bearing formation. The high pressure tomography cell is designed considering the effect of electrode configuration and electrical shielding on tomography measurements and the safety. The evolution of electrical conductivity during $CO_2$ hydrate formation and dissociation reflects the combined effects of concurrent changes that include ionization of dissolved $CO_2$, temperature-dependent ionic mobility, changes in the degree of saturation, ion exclusion, surface conduction, and porosity changes. Measurements during hydrate formation and dissociation require careful analysis to properly interpret signatures, in particular when out-of plane conductivity anomalies prevail.

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Adsorptions and Dissociations of Nitric Oxides at Metalloporphyrin Molecules on Metal Surfaces: Scanning Tunneling Microscopy and Spectroscopy Study

  • Kim, Ho-Won;Chung, Kyung-Hoon;Kahng, Se-Jong
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.108-108
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    • 2011
  • Organometallic complexes containing unpaired spins, such as metalloporphyrin or metallophthalocyanine, have extensively studied with increasing interests of their promising model systems in spintronic applications. Additionally, the use of these complexes as an acceptor molecule in chemical sensors has recently received great attentions. In this presentation, we have investigated adsorption of nitric oxide (NO) molecules at Co-porphyrin molecules on Au(111) surfaces with scanning tunneling microscopy and spectroscopy at low temperature. At the location of Co atom in Co-porphyrin molecules, we could observe a Kondo resonance state near Fermi energy in density of states (DOS) before exposing NO molecules and the Kondo resonance state was disappeared after NO exposing because the electronic spin structure of Co-porphyrin were modified by forming a cobalt-NO bonding. Furthermore, we could locally control the chemical reaction of NO dissociations from NO-CoTPP by electron injections via STM probe. After dissociation of NO molecules, the Kondo resonance state was recovered in density of state. With a help of density functional theory (DFT) calculations, we could understand that the modified electronic structures for NO-Co-porphyrin could be occurred by metal-ligand hybridization and the dissociation mechanisms of NO can be explained in terms of the resonant tunneling process via molecular orbitals.

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DFT/B3LYP Study of the Substituent Effects on the Reaction Enthalpies of the Antioxidant Mechanisms of Magnolol Derivatives in the Gas-Phase and Water

  • Najafi, Meysam;Najafi, Mohammad;Najafi, Houshang
    • Bulletin of the Korean Chemical Society
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    • v.33 no.11
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    • pp.3607-3617
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    • 2012
  • In this paper, the study of various ortho- and meta-substituted Magnolol derivatives is presented. The reaction enthalpies related to three antioxidant action mechanisms HAT, SET-PT and SPLET for substituted Magnolols have been calculated using DFT/B3LYP method in gas-phase and water. Calculated results show that electron-withdrawing substituents increase the bond dissociation enthalpy (BDE), ionization potential (IP) and oxidation/reduction enthalpy (O/RE), while electron-donating ones cause a rise in the proton dissociation enthalpy (PDE) and proton affinity (PA). In ortho- position, substituents show larger effect on reaction enthalpies than in meta-position. In comparison to gas-phase, water attenuates the substituent effect on all reaction enthalpies. In gas-phase, BDEs are lower than PAs and IPs, i.e. HAT represents the thermodynamically preferred pathway. On the other hand, SPLET mechanism represents the thermodynamically favored process in water. Results show that calculated enthalpies can be successfully correlated with Hammett constants (${\sigma}_m$) of the substituted Magnolols. Furthermore, calculated IP and PA values for substituted Magnolols show linear dependence on the energy of the highest occupied molecular orbital ($E_{HOMO}$).

Hydrogen Production by the Photocatalystic Effects in the Microwave Water Plasma

  • Jang, Soo-Ouk;Kim, Dae-Woon;Koo, Min;Yoo, Hyun-Jong;Lee, Bong-Ju;Kwon, Seung-Ku;Jung, Yong-Ho
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.284-284
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    • 2010
  • Currently, hydrogen has been produced by Steam Reforming or partial oxidation reforming processes mainly from oil, coal, and natural gas and results in the production of $CO_2$. However, these are influenced greatly on the green house effect of the earth. so it is important to find the new way to produce hydrogen utilizing water without producing any environmentally harmful by-products. In our research, we use microwave water plasma and photocatalyst to improve dissociation rate of water. At low pressure plasma, electron have high energy but density is low, so temperature of reactor is low. This may cause of recombination in the generated hydrogen and oxygen from splitting water. If it want to high dissociation rate of water, it is necessary to control of recombination of the hydrogen and oxygen using photocatalyst. We utilize the photocatalytic material($TiO_2$, ZnO) coated plasma reactor to use UV in the plasma. The quantity of hydrogen generated was measured by a Residual Gas Analyzer.

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Studies of the Organic Molecules Dissociative Surface Ionization in the Mass-Spectrometric Surface Ionization Method

  • Ilkhomjan Saydumarov;Dilshadbek Usmanov
    • Mass Spectrometry Letters
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    • v.15 no.1
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    • pp.54-61
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    • 2024
  • An improved voltage modulation method (VMM) was used to control the heat release and adsorption properties of the adsorbent. In this work, the voltage and flux modulation methods were considered under unified experimental conditions of dissociative surface ionization (SI) of polyatomic organic molecules, the criteria were found when under VMM conditions the current relaxation of SI carries information about the kinetic properties of thermal desorption of ionizable dissociation particles arriving on the surface of polyatomic molecules. Conditions were found under which the relaxation of the ionic current in the flux modulation method is determined by the kinetics of the heterogeneous dissociation reaction of the original polyatomic molecules. The values of the thermal desorption rate constant K+ and the activation energy E+ obtained with VMM for desorption of (CH3)2NCH+2 ions with m/z 58 by adsorption of imipramine and amitriptyline molecules agree well with each other and with the results for the desorption of the same ions by adsorption of other molecules. This confirms one of the basic conditions for the equilibrium process SI - the a degree (β coefficient) of the same particles SI on the same emitter surface is the same and does not depend on the way these particles are formed on the emitter surface.

Electron Mean Energy in CF4, CH4, Ar mixtures (CF4, CH4, Ar 혼합기체의 전자 평균에너지)

  • Kim, Sang-Nam
    • The Transactions of the Korean Institute of Electrical Engineers P
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    • v.64 no.4
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    • pp.241-245
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    • 2015
  • Energy Distribution Function in pure $CH_4$, $CF_4$ and mixtures of $CF_4$ and Ar, have been analyzed over a range of the reduced electric field strength between 0.1 and 350[Td] by the two-term approximation of the Boltzmann equation (BEq.) method and the Monte Carlo simulation (MCS). The calculations of electron swarm parameters require the knowledge of several collision cross-sections of electron beam. Thus, published momentum transfer, ionization, vibration, attachment, electronic excitation, and dissociation cross-sections of electrons for $CH_4$, $CF_4$ and Ar, were used. The differences of the transport coefficients of electrons in $CH_4$, mixtures of $CH_4$ and Ar, have been explained by the deduced energy distribution functions for electrons and the complete collision cross-sections for electrons. The results of the Boltzmann equation and the Monte Carlo simulation have been compared with the data presented by several workers. The deduced transport coefficients for electrons agree reasonably well with the experimental and simulation data obtained by Nakamura and Hayashi. The energy distribution function of electrons in $CF_4$-Ar mixtures shows the Maxwellian distribution for energy. That is, $f({\varepsilon})$ has the symmetrical shape whose axis of symmetry is a most probably energy.

Development of a Numerical Simulator for Methane-hydrate Production (메탄 하이드레이트 생산 묘사를 위한 수치도구의 개발)

  • Shin, Hosung
    • Journal of the Korean Geotechnical Society
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    • v.30 no.9
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    • pp.67-75
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    • 2014
  • Methane gas hydrate which is considered energy source for the next generation has an urgent need to develop reliable numerical simulator for coupled THM phenomena in the porous media, to minimize problems arising during the production and optimize production procedures. International collaborations to improve previous numerical codes are in progress, but they still have mismatch in the predicted value and unstable convergence. In this paper, FEM code for fully coupled THM phenomena is developed to analyze methane hydrate dissociation in the porous media. Coupled partial differential equations are derived from four mass balance equations (methane hydrate, soil, water, and hydrate gas), energy balance equation, and force equilibrium equation. Five main variables (displacement, gas saturation, fluid pressure, temperature, and hydrate saturation) are chosen to give higher numerical convergence through trial combinations of variables, and they can analyze the whole region of a phase change in hydrate bearing porous media. The kinetic model is used to predict dissociation of methane hydrate. Developed THM FEM code is applied to the comparative study on a Masuda's laboratory experiment for the hydrate production, and verified for the stability and convergence.

Development of photoresist ashing process in an ICP with periodic axial magnetic field (주기적인 축방향 자기장을 추가한 유도결합형 플라즈마 장치에서의 감광제 제거공정 개발)

  • 송호영;라상호;박세근;오범환
    • Proceedings of the IEEK Conference
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    • 2000.06b
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    • pp.290-293
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    • 2000
  • Low frequency(<100Hz) weak magnetic field(<20gauss) is applied axially to an inductively coupled oxygen plasma(ICP), and its plasma characteristics are monitored by OES(Optical Emission Spectroscopy) and Langmuir probe. It is found that periodic magnetic field enhances ashing rate by 25% and improves its uniformity upto 4.5% over 8" wafer. From electron energy distribution function, both low and high energy electrons are identified and relative abundancy is found to be controlled by the applied frequency. Moreover, it is observed that ionization and dissociation species are varied with applied frequency. We insert an aluminium baffle in the chamber to get better uniformity and less plasma damage.

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Hydrogen Generation by Electrical Discharge across Water-Vapor Interface (물-수증기 계면을 통한 전기방전에 의한 수소 제조)

  • Kang, Gou-Jin;Lee, Soo-Chang;Choi, Yong-Man;Lee, Woong-Moo
    • Transactions of the Korean hydrogen and new energy society
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    • v.8 no.4
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    • pp.155-160
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    • 1997
  • Generation of hydrogen and oxygen gas from water is mostly accomplished by electrolysis. In this report, a scheme is presented regarding the gas generation based on plasmolysis. Unlike electrolysis water dissociation by electrical discharge (plasmolysis) requires a high voltage to cause either electron emission or electron capture, and subsequent ionization of involved molecular species. When electrical discharge is initiated between electrodes separated by water-vapor interface, a very large electric field(~100kV/cm) is developed at the tip of the electrode placed in the vapor phase. It is found that the efficiency of plasmolysis depends on the polarity of the electrode placed in the vapor phase. Also presented is the scheme of hydrogen and oxygen generation by such electrical discharge.

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