• Title/Summary/Keyword: $H_2O $

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Theoretical Studies for the Supercritical CO2 Solubility of Organophosphorous Molecules: Lewis Acid-Base Interactions and C-H···O Weak Hydrogen Bonding

  • Kim, Kyung-Hyun;Kim, Yong-Ho
    • Bulletin of the Korean Chemical Society
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    • v.28 no.12
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    • pp.2454-2458
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    • 2007
  • Exploring the basic concepts for the design of CO2-philic molecules is important due to the possibility for “green” chemistry in supercritical CO2 as substitute solvent systems. The Lewis acid-base interactions and C?H…O weak hydrogen bonding were suggested as two key factors for the solubility of CO2-philic molecules. We have performed high level quantum mechanical calculations for the van der Waals complexes of CO2 with trimethylphosphate and trimethylphosphine oxide, which have long been used for metal extractants in supercritical CO2 fluid. Structures and energies were calculated using the MP2/6-31+G(d) and recently developed multilevel methods. These studies indicate that the Lewis acid-base interactions have larger impact on the stability of structure than the C?H…O weak hydrogen bonding. The weak hydrogen bonds in trimethylphosphine oxide have an important role to the large supercritical CO2 solubility when a metal is bound to the oxygen atom of the P=O group. Trimethylphosphate has many Lewis acid-base interaction sites so that it can be dissolved into supercritical CO2 easily even when it has metal ion on the oxygen atom of the P=O group, which is indispensable for a good extractant.

Defect Analysis of Gd2O2S : Tb Using Coincidence Doppler Broadening Positron Annihilation Spectroscopy (Gd2O2S:Tb의 동시 계수 도플러 양전자 소멸법에 의한 결함 특성)

  • Lee, C.Y.;Bae, S.H.;Kim, J.H.;Kwon, J.H.
    • Korean Journal of Materials Research
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    • v.16 no.7
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    • pp.455-459
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    • 2006
  • Coincidence Doppler Broadening (CDB) of positron annihilation spectroscopy was applied to analyze defects in the chemical state of Department of Physics, $Gd_2O_2S$:Tb intensifying screens. The screen samples were irradiated by 80 MV X-rays in hospital and were used for 0, 2, 4, and 6 years respectively. There was a positive relationship between the S-parameter values and time of exposure to X-rays. Most of the defects were indicated to have been generated by X-rays. A 1D CDB was developed in order to reduce the background noise, and the S-parameter values of the $Gd_2O_2S$:Tb intensifying screens, using the 1D CDB, varied between 0.4974 and 0.4991.

Synthesis of Titanium Dioxides by Microemulsion Method and Their Photocatalytic Degradation of p-Nitrophenol (마이크로에멀젼법에 의한 이산화티탄의 합성 및 p-Nitrophenol의 광촉매 분해반응)

  • Jung, Won Young;Han, Yeon Hee;Lee, Gun-Dae;Park, Seong Soo;Hong, Seong-Soo
    • Applied Chemistry for Engineering
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    • v.19 no.3
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    • pp.351-356
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    • 2008
  • Titania nanoparticles were prepared by controlled hydrolysis of titanium tetraisopropoxide (TTIP) in water-in-oil (W/O) and microemulsion stabilized with a nonionic surfactant, N P-10 (Polyoxyethylene Nonylphenol Ether: $C_9H_{19}C_6H_4(OCH_2CH_2)_{10}OH$)). The nanosized particles prepared in W/O microemulsion were characterized by FT-IR, TEM, XRD, TGA, and DTA. In addition, the photocatalytic degradation of p-nitrophenol has been studied by using a batch reactor in the presence of UV light in order to compare the photocatalytic activity of prepared nanosized titania. The nanaosized titania particles calcined at $300{\sim}600^{\circ}C$ showed an anatase structure, but it transformed to a rutile phase above $700^{\circ}C$ of calacination temperature. With an increase of $W_o$ ratio, the crystallite size increased but photocalytic activity decreased. The titania synthesized at $W_o=5$, R = 2, and calcined at $400{\sim}500^{\circ}C$ showed the highest activity on the photocatalytic degradation of p-nitrophenol.

Current-voltage Characteristics of Water-adsorbed Imogolite Film

  • Park, Jae-Hong;Lee, Jung-Woo;Chang, Sun-Young;Park, Tae-Hee;Han, Bong-Woo;Han, Jin-Wook;Yi, Whi-Kun
    • Bulletin of the Korean Chemical Society
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    • v.29 no.5
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    • pp.1048-1050
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    • 2008
  • Electric current flow was observed through imogolite film when imogolite ($(HO)_3Al_2O_3SiOH$) was exposed to water molecules and connected to external electrodes. Current flow was due to the bound water on the surface of imogolite. Current flow increased as the pH of the water decreased. The current-voltage (I-V) measurements from a field effective transistor (FET) using $H_2O$/imogolite film revealed that the current carrier in $H_2O$/ imogolite had p-type characteristics, i.e. the carrier was probably $H^+$. The possible mechanism for current transportation in imogolite/water was also suggested in this paper.

An Analysis of Long-term Trends in Precipitation Acidity of Seoul, Korea (서울지역 강수 산성도의 장기적인 경향분석)

  • 강공언;임재현;김희강
    • Journal of Korean Society for Atmospheric Environment
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    • v.13 no.1
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    • pp.9-18
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    • 1997
  • Precipitation samples were collected by the wet- only event sampling method from Seoul during September 1991 to April 1995. These samples were analyzed for the concentrations of the major ionic components (N $O_3$$^{[-10]}$ , N $O_2$$^{[-10]}$ , S $O_4$$^{2-}$, C $l^{[-10]}$ , $F^{[-10]}$ , N $a^{+}$, $K^{+}$, $Ca^{2+}$, $Mg^{2+}$, and N $H_4$$^{+}$), pH, and electric conductivity. During the study period, a total of 182 samples were collected, but only 163 samples were used for the data analysis via quality assurance of precipitation chemistry data. The volume-weighted pH was found to be 4.7. The major acidifying species from our precipitation studies were identified to be non-seasalt sulfate (84$\pm$9 $\mu$eq/L) and nitrate (24$\pm$2 $\mu$eq/L) except for chloride. Because the Cl/Na ratio in the precipitation was close to the ratio in seawater. If all of the non-seasalt sulfate and nitrate were in the form of sulfuric and nitric acids, the mean pH in the precipitation could have been as low as 3.7 lower than the computed value. Consequently, the difference between two pH values indicate that the acidity of precipitation was neutralized by alkaline species. The equivalent concentration ratio of sulfate to nitrate was 3.5, indicating that sulfuric and nitric acids can comprise 78% and 22% of the precipitation acidity, respectively. Analysis of temporal trend in the measured acidity and ionic components were also performed using the linear regression method. The precipitation acidity generally showed a significantly decreasing trend, which was compatible with the pattern of the ratio (N $H_4$$^{+}$+C $a^{2+}$)/ (nss-S $O_4$$^{2-}$+N $O_3$$^{[-10]}$ ).).

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Sublayer assisted by hydrophilic and hydrophobic ZnO nanoparticles toward engineered osmosis process

  • Mansouri, Sina;Khalili, Soodabeh;Peyravi, Majid;Jahanshahi, Mohsen;Darabi, Rezvaneh Ramezani;Ardeshiri, Fatemeh;Rad, Ali Shokuhi
    • Korean Journal of Chemical Engineering
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    • v.35 no.11
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    • pp.2256-2268
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    • 2018
  • Hydrophilic and hydrophobic polyethersulfone (PES)-zinc oxide (ZnO) sublayers were prepared by loading of ZnO nanoparticles into PES matrix. Both porosity and hydrophilicity of the hydrophilic sublayer were increased upon addition of hydrophilic ZnO, while these were decreased for the hydrophobic sublayer. In addition, the results demonstrated that the hydrophilic membrane exhibited smaller structural parameter (S value or S parameter or S), which is beneficial for improving pure water permeability and decreasing mass transfer resistance. In contrast, a higher S parameter was obtained for the hydrophobic membrane. With a 2 M NaCl as DS and DI water as FS, the pure water flux of hydrophilic TFN0.5 membrane was increased from $21.02L/m^2h$ to $30.06L/m^2h$ and decreased for hydrophobic TFN0.5 membrane to $14.98L/m^2h$, while the salt flux of hydrophilic membrane increased from $10.12g/m^2h$ to $17.31g/m^2h$ and decreased for hydrophobic TFN0.5 membrane to $3.12g/m^2h$. The increment in pure water permeability can be ascribed to reduction in S parameter, which resulted in reduced internal concentration polarization (ICP). The current study provides a feasible and low cost procedure to decrease the ICP in FO processes.

Fabrication of $(La, Sr)MO_3$ (M=Mn or Co)/YSZ Nanocomposite Thin Film Electrodes for the Exhaust Gas Purification by a Chemically-Modified Sol-Gel Process

  • Hwang, H.J.;Moon, J.W.;Awano, M.;Maeda, K.
    • Journal of Powder Materials
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    • v.8 no.3
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    • pp.201-206
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    • 2001
  • $>LaMnO_3$$(La, Sr)MO_3$, and $(La, Sr)MO_3/YSZ$ gel films were deposited by spin-coating technique on scandium-doped zirconia (YSZ) substrate using the precursor solution prepared from $La(O-i-C_3H_7)_3$, $Co(CH_3COO)_2$or $Mn(O-i-C_3H_7)_2$,2-methoxyethanol, and polyethylene glycol. By heat-treating the gel films, the electrochemical cells, $(La, Sr)MnO_3{\mid}ScSZ{\mid}Pt$ were fabricated. The effect of polyethylene glycol on the microstructure evolution of $$LaCoO_3and $LaMnO_3$thin films was investigated, and NOx decomposition characteristics of the electrochemical cells were investigated at $500^{\circ}C$ to $600^{\circ}C$. By applying a direct current to the $(La, Sr)MnO_3{\mid}ScSZ{\mid}Pt$ electrochemical cell, good NOx conversion rate could be obtained relatively at low current value even if excess oxygen is included in the reaction gas mixture.

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$H_2S$ Desulfurization Using Iron Oxide Sorbent (산화철을 이용한$H_2S$ 제거)

  • B.K. Kho;Lee, W.R.;Kim, H.J.;Lee, W.M.
    • Proceedings of the Korea Society for Energy Engineering kosee Conference
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    • 2000.11a
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    • pp.73-77
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    • 2000
  • A great deal of research has been carried out in the last twenty some years to develop high temperature desulfurization. For example, the efficiency of advanced power generation processes based on the integrated gasification combined cycle (IGCC) can be increased significantly with high temperature desulfurization. Much of the recent high temperature desulfurization research has concentrated on zinc-based sorbents such as zinc ferrite(ZnFe$_2$O$_4$) and zinc titanate(ZnO.xTiO$_2$) due to its thermodynamic advantage in capturing H$_2$S molecules.(omitted)

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Characteristics of Flame Hardening Process for 12Cr Steels (12Cr 강의 이동 화염경화 공정 특성)

  • Kim Gwang-Ho;Lee Min-Ku;Kim Kyeong-Ho;Kim Whung-Whoe;Rhee Chang-Kyu;Kim Gil-Mu
    • Journal of Surface Science and Engineering
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    • v.39 no.2
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    • pp.49-56
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    • 2006
  • In this study, the movable flame hardening process of 12Cr steel for a uniform hardness and desirable residual stress have been investigated. For this, the temperature cycles have been controlled accurately as a function of the three processing variables, the flame intensity $I_f$, the scanning velocity $V_s$, and the initial flame holding time $t_h$, where the standard surface temperature $T_{s,\;max}$, was maintained at $960^{\circ}C$. The optimized conditions were $V_s=0.68mn/s\;and\;t_h=67sec$ for the $C_3H_8:O_2\;=\;5:20l/min,\;V_s=0.80mm/s$ and $t_h=56sec$ for the $C_3H_8:O_2=6:24l/min,\;V_s=1.01mm/s\;and\;t_h=48sec$ for the $C_3H_8:O_2=7:28l/min,\;and\;V_s=1.15mm/s$ and $t_h=39sec$ for the $C_3H_8:O_2$=8:32 l/min. The optimally flame-hardened surface exhibited uniform distributions of the hardness and residual compressive stress over the treated area with moderate levels of $470{\sim}490HV_{0.2}$in hardness and $-300{\sim}-450MPa$ in residual stress, which were acceptable on the basis of the acceptance criteria of Siemens AG-KWU and GE Power Generation Engineering.

Phase Formation and Rheological Characteristics of LAS Derived from the Monophasic Sol-Gel Route (Sol-Gel 반응으로 유도된 LAS의 상 생성과 점성 특성)

  • 장현명;김광수;정창주
    • Journal of the Korean Ceramic Society
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    • v.28 no.5
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    • pp.365-372
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    • 1991
  • LAS (lithium aluminosilicate) sol was synthesized using the hydrolysis-condensation reaction of TEOS, chelated Al(OBus)3 and Li-salt with H2O in alcohol (EtOH+2-Propanol) medium. Effects of important reaction parameters on the properties of sol and gel-derived LAS were examined. The crystallization of the sol-gel derived LAS with ${\beta}$-spodumene composition began at ∼600$^{\circ}C$, and a series of polymorphic transformations occurred as temperature was increased to 1100$^{\circ}C$: amorphous LAS\longrightarrowhexagonal LiAl(SiO3)2\longrightarrow${\beta}$-spodumene. Lowering Li content in the gel enhanced densification and retarded the crystallization significantly. Optimum reaction conditions of LAS sol formation for thin coating applications were derived from rheological measurements, and these can be summarized as: H2O/total alkoxides molar ratio=4, pH=∼2.5, and aging time of ∼250h.

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