• Title/Summary/Keyword: $OH^-$ ion mobility

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Molecular Dynamics Simulation Study of the Ionic Mobility of OH- Using the OSS2 Model

  • Lee, Song-Hi
    • Bulletin of the Korean Chemical Society
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    • v.27 no.8
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    • pp.1154-1158
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    • 2006
  • Anomalously high ionic mobilities of H+ and $OH^-$ are owing to the transfer of $H^+$ by the Grotthus chain mechanism. Molecular dynamics simulations for the system of 215 water including $OH^-$ ion at 298.15 K using the OSS2 model [J. Chem. Phys. 109, 5547 (1998)] as a dissociable water model with the use of Ewald summation were carried out in order to study the dynamics of $OH^-$ in water. The calculated ionic mobility of $OH^-$ is in good agreement with the experimental result and the Grotthus chain mechanism is fully understood.

A study on the characteristics of interlace and Mobility of Movable Ion in polyethylene Terephthalate (Polyethylene terephthalate 중의 가동이온의 계면특성과 이동도에 관한 연구)

  • Lee, Ho-Sub;Oh, Keum-Kwon;Kook, Sang-Hoon
    • Proceedings of the KIEE Conference
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    • 1988.11a
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    • pp.233-235
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    • 1988
  • This study investigate that the behavior of movable ion in PET effect on the characteristics of the insulting materials. This examine that movable ion signal to. participation of $Ca^2\;Sb^3$ resulting catalyst refuse and characteristics of activation energy that is need to reionization of movable ion type and neutralized case as measuring characteristics of polarity reversal current or thermally stimulated current.

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Experimental Study on Air Ionization Phenomena in the Super Clean Room (초청정 클린룸의 공기이온화에 대한 실험적 연구)

  • Oh, M.D.;Bae, T.S.;Kim, S.C.
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.4 no.2
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    • pp.72-81
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    • 1992
  • Experimental study on air ionization phenomena has been conducted to analyze the propagation behavior and dischargeability of polarity air ions under the super clean room environments with the operation of prototype of Air Ionization System. Varying humidity and air velocity, the distribution of air ion density and the discharge time are measured and analyzed.

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Molecular Dynamics Simulation Study for Hydroxide Ion in Supercritical Water using SPC/E Water Potential

  • Lee, Song Hi
    • Bulletin of the Korean Chemical Society
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    • v.34 no.10
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    • pp.2925-2930
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    • 2013
  • We present results of molecular dynamics simulations for hydroxide ion in supercritical water of densities 0.22, 0.31, 0.40, 0.48, 0.61, and 0.74 g/cc using the SPC/E water potential with Ewald summation. The limiting molar conductance of $OH^-$ ion at 673 K monotonically increases with decreasing water density. It is also found that the hydration number of water molecules in the first hydration shells around the $OH^-$ ion decreases and the potential energy per hydrated water molecule also decreases in the whole water density region with decreasing water density. Unlike the case in our previous works on LiCl, NaCl, NaBr, and CsBr [Lee at al., Chem. Phys. Lett. 1998, 293, 289-294 and J. Chem. Phys. 2000, 112, 864-869], the number of hydrated water molecules around ions and the potential energy per hydrated water molecule give the same effect to cause a monotonically increasing of the diffusion coefficient with decreasing water density in the whole water density region. The decreasing residence times are consistent with the decreasing potential energy per hydrated water molecule.

Mass Prediction of Various Water Cluster Ions for an Accurate Measurement of Aerosol Particle Size Distribution (에어로솔 입자의 정밀입경분포 측정을 위한 물분자 클러스터 이온의 질량예측)

  • Jung, Jong-Hwan;Lee, Hye-Moon;Song, Dong-Keun;Kim, Tae-Oh
    • Journal of Korean Society for Atmospheric Environment
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    • v.23 no.6
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    • pp.752-759
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    • 2007
  • For an accurate measurement of aerosol particle size distribution using a differential mobility analyser (DMA), a new calculation process, capable of predicting the masses for the various kinds of water cluster ions generated from a bipolar ionizer, was prepared by improving the previous process. The masses for the 5 kinds of positive and negative water cluster ions produced from a SMAC ionizer were predicted by the improved calculation process. The aerosol particle charging ratios calculated by applying the predicted ion masses to particle charging equations were in good accordance with the experimentally measured ones, indicating that the improved calculation process are more reasonable than the previous one in a mass prediction of bipolar water cluster ions.

Performance enhancement of Organic Thin Film Transistor by Ar Ion Beam treatment (Ar Ion Beam 처리를 통한 Organic Thin Film Transistor의 성능향상)

  • Jung, Suk-Mo;Park, Jae-Young;Yi, Moon-Suk
    • Journal of the Institute of Electronics Engineers of Korea SD
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    • v.44 no.11
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    • pp.15-19
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    • 2007
  • This paper reports the effects of Ar ion beam surface treatment on a $SiO_2$ dielectric layer in organic thin film transistors. We compared the electrical properties of pentacene-based OTFTs, treated by $O_2$ plasma or Ar ion beam treatments and characterized the states of the surface of the dielectric by using atomic force microscopy and X-ray photoelectron spectroscopy. For the sample which received $O_2$ plasma treatment, the mobility increased significantly but the on/off current ratio was found very low. The Ar ion beam-treated sample showed a very high on/off current ratio as well as a moderately improved mobility. XPS data taken from the dielectric surfaces after each of treatments exhibit that the ratio of between Si-O bonds and O-Si-O bonds was much higher in the $O_2$ plasma treated surface than in the Ar ion beam treated surface. We believe that our surface treatment using an inert gas, Ar, carried out an effective surface cleaning while keeping surface damage very low, and also the improved device performances was achieved as a consequence of improved surface condition.

Properties Hall Effect of Indium sulfide Thin Film Prepared by Spray Pyrolysis Method (분무합성법으로 성장시킨 Indium Sulfide 박막의 Hall 효과 특성)

  • Oh Gum-Kon;Kim Hyung-Gon;Kim Byung-Cheol;Choi Young-Il;Kim Nam-Oh
    • The Transactions of the Korean Institute of Electrical Engineers C
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    • v.54 no.7
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    • pp.304-307
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    • 2005
  • The $In_2S_3\;and\;In_2S_3:Co^{2+}$ thin films were grown by the spray Pyrolysis method. The thin films crystallized into tetragonal structures. The indirect energy band gap was 2.32ev for $In_2S_3\;and\;1.81eV\;for\;In_2S_3:Co^{2+}$ at 298K. The direct energy band gap was 2.67ev for $In_2S_3:Co^{2+}$ thin films. Impurity optical absorption peaks were observed for the $In_2S_3:Co^{2+}$ thin films. These impurity absorption peaks are assigned, based on the crystal field theory to the electron transitions between the energy levels of the $Co^{2+}$ ion sited in $T_{d}$ symmetry. The electrical conductivity($\sigma$), Hall mobility(${\mu}_H$), and carrier concentration (n) of the $In_2Se_3$ thin film were measured, and their temperature dependence was investigated.

Conformational Studies of Gaseous Proteins Using Mass Spectrometry

  • Oh, Han-Bin
    • Proceedings of the Korean Biophysical Society Conference
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    • 2003.06a
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    • pp.27-27
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    • 2003
  • Conformations of the +5 to +13 charge state of ubiquitin ions have been studied in the gas phase by an Electron Capture Dissociation (ECD) mass spectrometry (MS) technique. This approach has showed that the conformations of the gaseous ions change from the compact to extended structures as the number of protons on the protein ions increases, consistent with previous collisional cross-section measurements by an ion-mobility MS. However, this observation is in contrast to that of the solution-phase where the unique native structure is usually found. The (un)folding stability and kinetics of these gaseous ions were further investigated experimentally using gradual blackbody-radiation or sudden laser-induced thermal heating, respectively. These studies have provided the evidence that the thermodynamics and kinetics of protein (un)folding in the gas phase are quite different from those of the native aqueous proteins.

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Synergistic Effect of Nitrogen and Molybdenum on Localized Corrosion of Stainless Steels

  • Kim, Y.S.
    • Corrosion Science and Technology
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    • v.9 no.1
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    • pp.20-28
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    • 2010
  • According to the bipolar model, ion selectivity of some species in the passive film is important factor to control the passivation. An increase of cation selectivity of outer layer of the passive film can stabilize the film and improves the corrosion resistance. Therefore, the formation and roles of ionic species in the passive film should be elucidated. In this work, two types of solution (hydrochloric or sulfuric acid) were used to test high N and Mo-bearing stainless steels. The objective of this work was to investigate the formation of oxyanions in the passive film and the roles of oxyanions in passivation of stainless steel. Nitrogen exists as atomic nitrogen, nitric oxide, nitro-oxyanions (${NO_x}^-$), and N-H species, not nitride in the passive film. Because of its high mobility, the enriched atomic nitrogen can act as a reservoir. The formation of N-H species buffers the film pH and facilitates the formation of oxyanions in the film. ${NO_x}^-$ species improve the cation selectivity of the film, increasing the oxide content and film density. ${NO_x}^-$ acts similar to a strong inhibitor both in the passive film and at active sites. This facilitates the formation of chromium oxide. Also, ${NO_x}^-$ can make more molybdate and nitric oxide by reacting with Mo. The role of Mo addition on the passivation characteristics of stainless steel may differ with the test environment. Mo exists as metallic molybdenum, molybdenum oxide, and molybdate and the latter facilitates the oxide formation. When nitrogen and molybdenum coexist in stainless steel, corrosion resistance in chloride solutions is drastically increased. This synergistic effect of N and Mo in a chloride solution is mainly due to the formation of nitro-oxyanions and molybdate ion. Oxyanions can be formed by a 'solid state reaction' in the passive film, resulting in the formation of more molybdate and nitric oxide. These oxyanions improve the cation selectivity of the outer layer and form more oxide and increase the amount of chromium oxide and the ratio of $Cr_2O_3/Cr(OH)_3$ and make the film stable and dense.

Retardation Effect and Mobility of a Heavy Metal in a Sandy Soil (사질토양에서의 중금속의 지연효과와 이동성)

  • Kim, Dong-Ju;Baek, Doo-Sung
    • Journal of the Korean Society of Groundwater Environment
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    • v.5 no.3
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    • pp.155-161
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    • 1998
  • Retardation effect of heavy metals in soils caused by adsorption onto the surfaces of solids particles is well known phenomenon. In this study, we investigated the retardation effect on the mobility of a Zn in a sandy soil by conducting batch and column tests. The column test consisted of monitoring the concentrations of effluent versus time known as a breakthrough curve (BTC). We used NaCl and ZnCl$_2$ solutions with the concentration of 10 g/L as a tracer, and injected them respectively into the inlet boundary of the soil sample as a square pulse type, and monitored the effluent concentrations at the exit boundary under a steady state condition using an EC-meter and ICP-AES. The batch test was conducted based on the standard procedure of equilibrating fine fractions collected from the soil with various initial ZnCl$_2$ concentrations, and analysis of Zn ions in the equilibrated solutions using ICP-AES. The results of column test showed that i) the peak concentration of ZnCl$_2$analyzed by ICP was far less than that of either NaCl or bulk electrical conductivity and ⅱ) travel times of peak concentrations for two tracers were more less identical. The relatively low concentration of Zn can be explained by ion exchange between Zn and other cations, and possible precipitation of Zn in the form of Zn(OH)$_2$due to high pH range (7.0∼7.9) of the effluent. The identical result of travel times of peak concentrations indicates that the retardation effect is not present in the soil. The only way to describe the prominent decrease of Zn ion was to introduce decay or sink coefficient in the CDE model to account for irreversible decrease of Zn ions in the aqueous phase.

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