• 제목/요약/키워드: $H_2O $

Search Result 18,267, Processing Time 0.049 seconds

Analysis of Nonclassical Fullerene C24 Regioisomers Encapsulating H2O using Hybrid Density Functional Methods B3LYP and M06-2X

  • Lee, Seol;Lee, Ji Young;Lee, Kee Hag
    • Bulletin of the Korean Chemical Society
    • /
    • v.35 no.3
    • /
    • pp.899-904
    • /
    • 2014
  • The atomic structures and electronic properties of six classical and nonclassical $H_2O$@$C_{24}$ fullerene regioisomers are systematically studied using the hybrid density functional B3LYP method and M06-2X method with empirical dispersion in conjunction with the 6-31G(d,p) basis sets. The charge transfer, frontier orbitals, dipole moment, energy gap between the HOMO and LUMO, and volume change of the $C_{24}$ cage are analyzed upon encapsulation of a $H_2O$ molecule in each $C_{24}$ regioisomer. All encapsulation processes are endothermic and the relative stabilities of six $C_{24}$ fullerene regioisomers change upon encapsulation of $H_2O$.

Effect of CH4 addition to the H2 Plasma Excited by HF ICP for H2 Production (고주파유도결합에 의해 여기된 물플라즈마로부터 수소생산에서 메탄가스 첨가효과)

  • Kim, Dae-Woon;Jung, Yong-Ho;Choo, Won-Il;Jang, Soo-Ouk;Lee, Bong-Ju;Kim, Young-Ho;Lee, Seung-Heun;Kwon, Sung-Ku
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
    • /
    • v.22 no.5
    • /
    • pp.448-454
    • /
    • 2009
  • Hydrogen was produced from water plasma excited in high frequency (HF) inductively coupled tubular reactor. Mass spectrometry was used to monitor gas phase species at various process conditions, Water dissociation rate depend on the process parameters such as ICP power, $H_{2}O$ flow-rate and process pressure, Water dissociation percent in ICP reactor decrease with increase of chamber pressure, while increase with increase of ICP power and $H_{2}O$ flow rate. The effect of $CH_4$ gas addition to a water plasma on the hydrogen production has been studied in a HF ICP tubular reactor. The main roles of $CH_4$ additive gas in $H_{2}O$ plasma are to react with 0 radical for forming $CO_x$ and CHO and resulting additional $H_2$ production. Furthermore, $CH_4$ additives in $H_{2}O$ plasma is to suppress reverse-reaction by scavenging 0 radical. But, process optimization is needed because $CH_4$ addition has some negative effects such as cost increase and $CO_x$ emission.

Oxygen Sensitivity of Carbon Monoxide-Dependent Hydrogen Production Activity in Citrobacter sp.

  • Kim, Jung-Rae;Oh, You-Kwan;Yoon, Yeo-Joon;Lee, Eun-Yeol;Park, Sung-Hoon
    • Journal of Microbiology and Biotechnology
    • /
    • v.13 no.5
    • /
    • pp.717-724
    • /
    • 2003
  • A newly isolated Citrobacter sp. Y19 catalyzes the CO-dependent $H_2$ production (biological water-gas shift reaction) by the actions of CO dehydrogenase (CODH) and hydrogenase. Y 19 requires $O_2$ for fast growth, but its $H_2$ production activity is significantly inhibited by $O_2$. In the present study, the effect of $O_2$ on the activities of CODH ard hydrogenase was investigated quantitatively in both whole cells and broken cells, based on CO-dependent or methyl viologen (MV)-dependent $H_2$ production in addition to CO-dependent MV reduction. In crude cell extracts, CODH activity was mostly found in the soluble fraction. Inactivation of CODH and hydrogenase activities by $O_2$ followed the first-order decay kinetics, and the dependence of the rate constants on $O_2$ partial pressure could be expressed by the Michaelis-Menten equation. In whole cells, the maximum deactivation rate constants ($k_{d,max}$ of hydrogenase and CODH were quite similar: $0.07{\pm}0.03 min^{-1}\;and\;0.10{\pm}0.04 min^{-1}$, respectively. However, the first-order rate constant ($k_{d,max}/K_s$) of CODH ($0.25\;min^{-1}\;atm^{-1}$) at low $O_2$ partial pressures was about 3-fold higher than that of the hydrogenase, since the half-saturation constant ($K_s$) of CODH was about half of that of hydrogenase. In broken cells, both enzymes became significantly more sensitive to $O_2$ compared to the unbroken cells, while $k_{d,max}/K_s$ increased 37-fold for hydrogenase and 6.7-fold for CODH. When whole cells were incubated under anaerobic conditions after being exposed to air for 1 h, hydrogenase activity was recovered more than 90% in 2 h suggesting that the deactivation of hydrogenase by $O_2$ was reversible. On the contrary, CODH activity was not recovered once deactivated by $O_2$ and the only way to recover the activity was to synthesize new CODH. This study indicates that $O_2$ sensitivity of $H_2$ production activity of Citrobacter sp. Y19 is an important drawback as in other $H_2-producing$ bactria.

Removal of Cadmium. Copper and Chromium Ions in Aqueous Solution using Water in Oil Micro-Emulsion (W/O 마이크로에멀젼을 이용한 수용액중의 카드뮴, 구리 및 크롬이온의 분리제거)

  • Lee, Sung-Sik;Lee, Eun-Joo;Kim, Hyung-Jun;Kim, Jong-Hwa
    • Journal of Korean Society of Environmental Engineers
    • /
    • v.22 no.6
    • /
    • pp.1021-1026
    • /
    • 2000
  • The removal of cadmium, copper and chromium ions was carried in a phase transfer reactor using W/O(water in oil) microemulsion containing sodium di[2-ethylhexyl] sulfosuccinate(AOT) and isooctane system. Removal efficiencies and mass transfer rate of $Cd^{2+}$, $Cu^{2+}$ and $Cr^{3+}$ were increasing with increasing pH of aqueous solution. However, $Cr^{6+}$ was not extracted by W/O microemulsion with AOT/isooctane system. It was found that removal of heavy metal ions were required an attractive electrostatic interaction between the metal ions and W/O microemulsion. The relationship between mass transfer rate. Jo of $Cd^{2+}$, $Cu^{2+}$ and $Cr^{3+}$ and pH of aqueous solution by W/O microemulsion suggested.

  • PDF

Effects of the Re-oxidation Temperature and Time on the PTC Properties of Sm-doped BaTiO3 (Sm을 첨가한 BaTiO3계의 재산화 온도 및 시간에 따른 PTC 특성 변화)

  • Chung, Yong-Keun;Choi, Sung-Churl
    • Journal of the Korean Ceramic Society
    • /
    • v.46 no.3
    • /
    • pp.330-335
    • /
    • 2009
  • We investigated the effects of the re-oxidation temperature and time on the positive temperature coefficient (PTC) of resistivity characteristics of Sm-doped $BaTiO_3$ sintered at $1200{\sim}1260^{\circ}C$ for 2 h in a reducing atmosphere (3% $H_2/N_2$), followed by re-oxidization processes in air, in which re-oxidization temperature and time were $600{\sim}1000^{\circ}C$ and $1{\sim}10$h, respectively. The result reveals that Smdoped (Ba,Ca)$TiO_3$ ceramics fired in a reducing atmosphere exhibit low PTC characteristics, whereas the sample re-oxidized at $800^{\circ}C$ for 1 h in air exhibit pronounced PTC characteristics. The room-temperature resistivity and jumping characteristics of resistivity (${\rho}_{max}/{\rho}25^{\circ}C$) decrease with Sm contents. The PTC characteristics with reoxidization time at $800^{\circ}C$ have improved about $2{\sim}3$ orders of magnitude whereas differed according to the sintering temperature. The 0.7 at% Sm-doped (Ba,Ca)$TiO_3$ samples reveal the best PTC characteristics in the present range of formula and processes.

Thin Film Characterization on Refractive Index of PECVD SiO2 Thin Films

  • Woo Hyuck Kong;In Cheon Yoon;Seung Jae Lee;Yun Jeong Choi;Sang Jeen Hong
    • Journal of the Semiconductor & Display Technology
    • /
    • v.22 no.2
    • /
    • pp.35-39
    • /
    • 2023
  • Silicon oxide thin films have been deposited by plasma-enhanced chemical vapor deposition in SiH4 and N2O plasma along the variation of the gas flow ratio. Optical emission spectroscopy was employed to monitor the plasma and ellipsometry was employed to obtain refractive index of the deposited thin film. The atomic ratio of Si, O, and N in the film was obtained using XPS depth profiling. Fourier Transform Infrared Spectroscopy was used to analyze structures of the films. RI decreased with the increase in N2O/SiH4 gas flow ratio. We noticed the increase in the Si-O-Si bond angles as the N2O/SiH4 gas flow ratio increased, according to the analysis of the Si-O-Si stretching peak between 950 and 1,150 cm-1 in the wavenumber. We observed a correlation between the optical emission intensity ratio of (ISi+ISiH)/IO. The OES intensity ratio is also related with the measured refractive index and chemical composition ratio of the deposited thin film. Therefore, we report the added value of OES data analysis from the plasma related to the thin film characteristics in the PECVD process.

  • PDF

Study on Characteristic of Reforming with Catalyst Using Plasmatron (플라즈마트론을 이용한 촉매 개질 특성 연구)

  • Kim, Seong-Cheon;Chun, Young-Nam
    • Journal of Hydrogen and New Energy
    • /
    • v.16 no.4
    • /
    • pp.356-363
    • /
    • 2005
  • The purpose of this paper is to investigate the optimal condition of the Syngas production by reforming of fuel using plasmatron. Plasma was generated by air and arc discharge. The effects of applied steam, $CO_2$ or Ni-catalyst on fuel conversion, as well as hydrogen yield and $H_2$/CO ratio were studied. When the variations of $O_2$/fuel ratio, $H_2O$/fuel flow ratio and $CO_2$/fuel flow ratio were $0.94{\sim}1.48$, $4.3{\sim}10$ and $0.8{\sim}3.05$, respectively. Under the condition mentioned above, result of $H_2O$/fuel flow ratio was maximum $H_2$ concentration, or $28.2{\sim}31.6%$, and result of $H_2O$/fuel flow ratio with catalyst was minimum CO concentration or $6.6{\sim}7.1%$. and $H_2$/CO ratio were $3.89{\sim}4.86$.

Effect of Kimchi Extracts to Reactive Oxygen species in Skin Cell Cytotoxicity (김치 추출물의 활성산소에 대한 피부세포 독성 완화효과)

  • 류승희;전영수;권명자;문정원;이영순;문갑순
    • Journal of the Korean Society of Food Science and Nutrition
    • /
    • v.26 no.5
    • /
    • pp.814-821
    • /
    • 1997
  • Kimchi is composed of many ingredients such as Chinese cabbage, garlic, ginger, and red pepper and fermented fish extract. Some of them were known to have antioxidative activities due to their scavenging effect against reactive oxygen species(ROS). To study the health effects of kimchi on human skin cells, keratinocyte(A431, epidermoid carcinoma, human) and fibroblast(CCD-986SK, normal control, human) were cultured in oxidative stress condition provoked by paraquat, a superoxide anion generator, and hydrogen peroxide in the absence and presence of kimchi extract. The survival rate of keratinocyte was greatly reduced when exposed over 1mM concentration of hydrogen peroxide($H_{2}O_{2}$), but cytotoxicity of $H_{2}O_{2}$ was significantly reduced by kimchi extracts on cells. Especially 2 week-fermented kimchi decreased remarkably the cytotoxicity by $H_{2}O_{2}$ to keratinocyte cells. Over 1mM of paraquat concentration showed strong cell toxicity on keratinocyte, but the extracts from kimchi fermented for 1, 2 and 3 weeks showed protective effects in order. Fibroblast cells were significantly affected by $H_{2}O_{2}$ as were keratinocyte cells. Although almost all extacts of kimchi of different fermentation periods showed protective effect against cell killing at 0.5mM concentration of $H_{2}O_{2}$ week-fermented kimchi extract showed the strongest protective effect on fibroblast cells treated with 1mM $H_{2}O_{2}$ for either 1 day or 4 days. However most of kimchi extracts showed weak preventive effect or no effect on oxidative stress produced by paraquat. In conclusion, 2 week-fermented kimchi extract seems to have the best potential in preventing skin cells against oxidative damage which might be related to their scavenging effects of kimchi components produced during their fermentation process.

  • PDF