• Title/Summary/Keyword: H2O2

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Molecular Dynamics Simulations of the OSS2 Model for Water and Oxonium Ion Monomers, and Protonated Water Clusters

  • Lee, Song-Hi
    • Bulletin of the Korean Chemical Society
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    • v.23 no.1
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    • pp.107-111
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    • 2002
  • The OSS2 (Oj?me-Shavitt-Singer 2)[L. Oj?me et al., J. Chem. Phys. 109, 5547 (1998)] model for the solvated proton in water is examined for $H_2O,\;H_3O^+,\;H_5O_2^+,\;H_7O_3^+,\;and\;H_9O_4^-$ by molecular dynamics (MD) simulations. The equilibrium molecular geometries and energies obtained from MD simulations at 5.0 and 298.15 K agree very well with the optimized calculations.

High Temperature Desulfurization over ZnO-Fe2O3 Mixed Metal Oxide Sorbent (ZnO-Fe2O3 복합금속 산화물을 이용한 고온에서의 황화수소 제거에 관한 연구)

  • Lee, Jae-Bok;Lee, Young-Soo;Yoo, Kyong-Ok
    • Journal of Environmental Health Sciences
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    • v.20 no.1
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    • pp.62-67
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    • 1994
  • Introduction : Recently, water and environmental pollution becomes serious social problem and high technology makes this pollution accelerate. Hydrogen sulfide, the main subject of our research, is one of the most dangerous air pollutant like SO$_x$ and NO$_x$. The major contaminant in coal gasification is H$_2$S, which is very toxic, hazardous and extremely corrosive. Therefore, control of hydrogen sulfide to a safe level is essential. Although commercial desulfurization process called liquid scrubbing is effective for removal of H$_2$S, it has drawbacks, the loss of sensible heat of the gas and costly wastewater treatment. Many investigations are carried out about high-temperature removal ol H$_2$S in hot coal-derived gas using metal oxide or mixed metal qxide sorbents. It was reported that ZnO was very effective sorbent for H2S removal, but it has big flaw to vaporize elemental zinc above 600\ulcorner \ulcorner As alternative, metal oxides such as CaO, $Fe_2O_3$, TiO$_2$ and CuO were added to ZnO. Especially, different results are reported for $Fe_2O_3$ additive. Tamhankar et al. reported SiO$_2$ with 45 wt% $Fe_2O_3$ sorbent is favorable for removal of H$_2$S and regeneration.

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Properties of the Powders of the System Al2O3-ZrO2-Y2O3 Prepared by Precipitation Method (침전법으로 제조한 Al2O3-ZrO2-Y2O3계 분말의 특성)

  • 김준태;홍기곤;이홍림
    • Journal of the Korean Ceramic Society
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    • v.25 no.2
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    • pp.117-124
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    • 1988
  • The properties of the powders of the system Al2O3-ZrO2-Y2O3 prepared by precipitation method were investigated. Al2(SO4)3$.$18H2O3, ZrOCl2$.$8H2O and YCl3$.$6H2O were used as starting materials. Amorphous aluminum hydrate prepared by precipitation method was completely transformed to alpha Al2O3 as a result of calcining at 1100$^{\circ}C$ for 1 hr and gamma, delta and theta phases appeared as transition phases. In ZrO2-Y2O3 system prepared by co-precipitation method, the crystallization temperature of ZrO2 was increase with Y2O3 contents. The coupled crystallization occured in coprecipitated Al2O3-ZrO2-Y2O3 system, therefore the formation temperature of alpha Al2O3 and ZrO2-Y2O3 system. In this ternary system, the powder morphology showed a particular shape which was composed of large Al2O3 grains having small spherical ZrO2 particles within large Al2O3 grain and relatively large ZrO2 particles along the grian boundaries.

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Synthesis of Cobalt(II), Nickel(II) and Copper(II) Complexes with Tetradentate Schiff Base Ligand of o-BSDT $H_2$ and Electrochemical properties in DMSO (네자리 Schiff Base 리간드의 Cobalt(II), Nickel(II) 및 Copper(II) 착물의 합성과 DMSO용액에서 전기화학적 성질)

  • Ki-Hyung Chjo;Jong-Soon Kim
    • Journal of the Korean Chemical Society
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    • v.31 no.6
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    • pp.509-519
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    • 1987
  • The tetradentate Schiff base ligand, 3,4-bis(salicylidene diimine) toluene, have been prepared by the reaction of salicylaldehyde with 3,4-diaminotoluene by Duff method. The Schiff base ligand reacts with Ni(II), Co(II), and Cu(II) ions to form new complexes, [Ni(o-BSDT)${\cdot}(H_2O)_2$], [Co(o-BSDT)${\cdot}(H_2O)$], and [Cu(o-BSDT)]. It seems that Ni(II) and Ni(II) complexes are hexacoordinated with the Schiff base ligand and two molecules of water, while the Cu(II) complexes are tetracoordinated with the Schiff base. The mole ratio of tetradentate Schiff base ligand to metals was found to be 1 : 1. The redox chemistry of these complexes was investigated by polarography and cyclic voltammetry with glassy carbon electrode in DMSO with 0.1M TEAP${\cdot}$[Ni(o-BSDT)${\cdot}(H_2O)_2$] hav EC reaction mechanisms which undergo a irreversible electron transfer followed by a fast chemical reaction. [Co(o-BSDT)${\cdot}(H_2O)_2$] undergoes a reduction of Co(II) to Co(I) and a oxidation of Co(II) to Co(III), and [Cu(o-BSDT)] undergoes a reduction of Cu(II) to Cu(I).

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A Study on the Thermal Stability of an Al2O3/SiON Stack Structure for c-Si Solar Cell Passivation Application (결정질 실리콘 태양전지의 패시베이션 적용을 위한 Al2O3/SiON 적층구조의 열적 안정성에 대한 연구)

  • Cho, Kuk-Hyun;Chang, Hyo Sik
    • Journal of the Korean Ceramic Society
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    • v.51 no.3
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    • pp.197-200
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    • 2014
  • We investigated the influence of blistering on $Al_2O_3$/SiON stacks and $Al_2O_3$/SiNx:H stacks passivation layers. $Al_2O_3$ film provides outstanding Si surface passivation quality. $Al_2O_3$ film as the rear passivation layer of a p-type Si solar cell is usually stacked with a capping layer, such as $SiO_2$, SiNx, and SiON films. These capping layers protect the thin $Al_2O_3$ layer from an Al electrode during the annealing process. We compared $Al_2O_3$/SiON stacks and $Al_2O_3$/SiNx:H stacks through surface morphology and minority carrier lifetime after annealing processes at $450^{\circ}C$ and $850^{\circ}C$. As a result, the $Al_2O_3$/SiON stacks were observed to produce less blister phenomenon than $Al_2O_3$/SiNx:H stacks. This can be explained by the differences in the H species content. In the process of depositing SiNx film, the rich H species in $NH_3$ source are diffused to the $Al_2O_3$ film. On the other hand, less hydrogen diffusion occurs in SiON film as it contains less H species than SiNx film. This blister phenomenon leads to an increase insurface defect density. Consequently, the $Al_2O_3$/SiON stacks had a higher minority carrier lifetime than the $Al_2O_3$/SiNx:H stacks.

Long-term simultaneous monitoring observations of SiO and H2O masers toward Mira variable WX Serpentis

  • Lim, Jang Ho;Kim, Jaeheon;Son, Seong Min;Suh, Kyung-Won;Cho, Se-Hyung;Yang, Haneul;Yoon, Dong-Hwan
    • The Bulletin of The Korean Astronomical Society
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    • v.46 no.2
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    • pp.49.1-49.1
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    • 2021
  • We carried out simultaneous monitoring observations of five maser lines, H2O (22 GHz), SiO 𝝊 =1, 2, J =1-0 (43.1, 42.8 GHz), and SiO 𝝊 =1, J=2-1, J =3-2 (86.2, 129.3 GHz), toward the Mira variable star WX Serpentis with the 21-m antennas of the Korean VLBI Network (KVN) in 2009-2021 (~12 years). Most spectra of the H2O maser are well separated into two parts of two blue- and one redshifted features within ± 10 km s-1 of the stellar velocity. All detected SiO masers are generally concentrated within ± 5 km s-1 of the stellar velocity, and sometimes appear split into two components. Overall, the profiles of SiO and H2O masers detected in WX Serpentis illustrate typical characteristics of the Mira variable. In addition, flux variations of both SiO and H2O masers are well correlated with the optical light curve of the central star, showing a phase lag of ~ 0.1 for SiO masers and ~ 0.2 for H2O maser. This phenomenon is considered to be the direct effect of propagating shock waves generated by the stellar pulsation, because SiO and H2O masers are sequentially distributed at different positions with respect to the central star. In addition, we analyzed long-term trends and characteristics of maser velocities, maser ratio, and the velocity extents (the full width at zero power; FWZP). We also investigated a spectral energy distribution (SED) ranging from 1.2 to 240 ㎛ obtained using several infrared data: 2MASS, WISE, IRAS, ISO, COBE DIBRE, RAFGL, and AKARI (IRC and FIS). From the IRAS LRS and ISO SWS spectra of this star, we identified 9.7 and 12 ㎛ silicate emission features consistent with the SE6 spectrum model, corresponding to the typical AGB phase.

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Identifications of Optimal Conditions for Photo-Fenton Reaction in Water Treatment (수중 유기물처리를 위한 광펜톤반응의 최적조건 도출)

  • Oh, Tae Hyup;Lee, Hanuk;Park, Sung Jik;Park, Jae-Woo
    • Journal of Soil and Groundwater Environment
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    • v.21 no.1
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    • pp.86-93
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    • 2016
  • Fenton is the reaction using the OH· radicals generating by interaction between hydrogen peroxide and Fe2+ which can oxidize the contaminants. Fe2+ ions are oxidized to Fe3+ ions by reaction with H2O2 and formed OH· radicals. UV-Fenton process includes the additional reaction that generates the OH· radicals by photodegradation of H2O2. In methylorange (MO) decolourization experiment with UV-Fenton, optimal Fe2+: H2O2 ratio was obtained at 1 : 10. Based on the obtained condition (H2O2= 10mM, Fe2+ = 1 mM) with/without UV-fenton experiment was carried out. Removal efficiency and sludge production were measured at 30 min. The case of w/o UV irradiation and only H2O2 was hardly treated and only Fe2+ showed 65% removal owing to coagulation. When UV-Fenton process in optimal ratio (Fe2+: H2O2 = 1 : 10), UV irradiation showed better removal efficiency than of w/o UV irradiation. Also, MO decolourization was a function of the hydrogen peroxide concentration (x1), Fe2+:H2O2 ratio (x2), and numbers of UV lamp (x3) from the application of the response surface methodology. Statistical results showed the order of significance of the independent variables to be hydrogen peroxide concentration > numbers of UV l amp > Fe2+: H2O2 ratio.

Study on the Elution Behaviors of Molybdate and Tungstate in Both Hydrochloric and Perchloric Acid by Anion Exchange Chromatograpphy

  • Cha, Ki-Won;Choi, Jae-Sung;Park, Kee-Chae
    • Bulletin of the Korean Chemical Society
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    • v.2 no.2
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    • pp.37-41
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    • 1981
  • The elution behaviors of molybdate and tungstate through anion exchange column have been investigated in the various concentration of hydrochloric and perchloric acid. A discussion is made to evaluate the existing these equilibrium and constant according to acidity. In both acids of 0.01-2.0 M concentration range, the existing equilibrium for molybdate and its constant calculated at $20^{\circ}C$ is $10^{18.9}$ for $Mo_8O_2^{4-} + 20H^+ {\rightleftharpoons} 8MoO_2^{2+} + 10H_2O$. In the 3-3.5 M hydrochloric acid it is 0.16 for $MoO_2Cl_2 + Cl^- {\rightleftharpoons} MoO_2Cl^{3-}$ and for the case of tungstate, in the both acids of 0.01-1.0 M concentration range $10^{6.6}$ for $W_{12}O_{39}^{6-} + 6H^+ {\rightleftharpoons} 12WO_3{\cdot}3H_2O$. In higher concentration than 1.0 M both acids the following equilibrium seems to be existed. $12WO_3{\cdot}3H_2O {\rightleftharpoons} 12WO_3 + 3H_2O$

Time variations of H2O and SiO masers in the proto-Planetary Nebula OH 231.8+4.2

  • Jaeheon Kim;S-H Cho;V Bujarrabal;H Imai;R Dodson;D-H Yoon;B Zhang
    • Monthly Notices of the Royal Astronomical Society
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    • v.488 no.1
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    • pp.1427-1445
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    • 2019
  • H2O (22 GHz) and SiO masers (43, 86, 129 GHz) in the bipolar proto-planetary nebula OH 231.8+4.2 were simultaneously monitored using the 21-m antennas of the Korean VLBI Network in 2009-2015. Both species exhibit periodic flux variations that correlate with the central star's optical light curve, with a phase delay of up to 0.15 for the maser flux variations with respect to the optical light curve. The flux densities of SiO v = 2, J = 1→0 and H2O masers decrease with time, implying that they may disappear in 10-20 yr. However, there seems to have been a transient episode of intense H2O maser emission around 2010. We also found a systematic behaviour in the velocity profiles of these masers. The velocities of the H2O maser components appear to be remarkably constant, suggesting ballistic motion for the bipolar outflow in this nebula. On the other hand, those of the SiO maser clumps show a systematic radial acceleration of the individual clumps, converging to the outflow velocity of the H2O maser clumps. Measuring the full widths at zero power of the detected lines, we estimated the expansion velocities of the compact bipolar outflow traced by H2O maser and SiO thermal line, and discussed the possibility of the expanding SiO maser region in the equatorial direction. All of our analyses support that the central host star of OH231.8 is close to the tip of the AGB phase and that the mass-loss rate recently started to decrease because of incipient post-AGB evolution.