• Title/Summary/Keyword: chemical solution method

Search Result 1,810, Processing Time 0.03 seconds

Structure Optimization of Solute Molecules via Free Energy Gradient Method

  • Nagaoka, Masataka
    • Bulletin of the Korean Chemical Society
    • /
    • v.24 no.6
    • /
    • pp.805-808
    • /
    • 2003
  • Fundamental ideas of the free energy gradient method are briefly reviewed with three applications: the stable structures of glycine and ammonia-water molecule pair in aqueous solution and the transition state (TS) structure of a Menshutkin reaction $NH_3 + CH_3Cl → CH_3NH_3^+ + Cl^-$ in aqueous solution, which is the first example of full TS optimization of all internal degrees of freedom.

A nonlinear Study for the Schlogl Models with some Kinds of External Input. I.

  • Moon H. Ryu;Dong J. Lee;Il D. Kim
    • Bulletin of the Korean Chemical Society
    • /
    • v.12 no.4
    • /
    • pp.383-387
    • /
    • 1991
  • A new perturbation theory called as star expansion method is used to obtain the nonlinear retarded solution of the Schlogl models with some kinds of external input. The approximate nonlinear solutions are compared with the exact solution, linear solutions, and those obtained by the Feynman method.

Synthesis of Platinum Nanostructures Using Seeding Method

  • Han, Sang-Beom;Song, You-Jung;Lee, Jong-Min;Kim, Jy-Yeon;Kim, Do-Hyung;Park, Kyung-Won
    • Bulletin of the Korean Chemical Society
    • /
    • v.30 no.10
    • /
    • pp.2362-2364
    • /
    • 2009
  • We report Pt hexapod nanoparticles with $6.4\;{\sim}\;9.7$ nm in size by a polyol process in the presence of PVP as a stabilizer and additive as a kinetic controller. The structure and morphology of Pt nanostructures are confirmed by field-emission transmission electron microscopy. The morphological control over platinum nanoparticles is achieved by varying the amount of seeds in the polyol process, where platinum precursor is reduced by ethylene glycol to form Pt nanoparticle at $150\;{^{\circ}C}$. As volume ratio between precursor-solution and seed-solution is increased from 10 to 50, the shape of Pt nanostructures is evolved from small seeds to tripod and hexapod. In addition, the size-controlled platinum hexapod nanostructures are successfully obtained using seeding method.

Chromatographic Enrichment of Lithium Isotopes by Hydrous Manganese(IV) Oxide

  • Kim, Dong Won
    • Bulletin of the Korean Chemical Society
    • /
    • v.22 no.5
    • /
    • pp.503-506
    • /
    • 2001
  • Separation of lithium isotopes was investigated by chemical ion exchange with a hydrous manganese(IV) oxide ion exchanger using an elution chromatography. The capacity of manganese(IV) oxide ion exchanger was 0.5 meq/g. One molar CH3COO Na solution was used as an eluent. The heavier isotope of lithium was enriched in the solution phase, while the lighter isotope was enriched in the ion exchanger phase. The separation factor was calculated according to the method of Glueckauf from the elution curve and isotopic assays. The single stage separation factor of lithium isotope pair fractionation was 1.021.

Vortex behavior in the inertial flow of viscoelastic fluids past a confined cylinder

  • Kim, Ju Min;Kim, Chongyoup;Chung, Changkwon;Ahn, Kyung Hyun;Lee, Seung Jong
    • Korea-Australia Rheology Journal
    • /
    • v.16 no.3
    • /
    • pp.117-128
    • /
    • 2004
  • The effect of molecular parameters on the steady vortex behaviors in the inertial viscoelastic flow past a cylinder has been investigated. FENE-CR model was considered as a constitutive equation. A recently developed iterative solution method (Kim et al., (in press)) was found to be successfully applicable to the computation of inertial viscoelastic flows. The high-resolution computations were carried out to understand the detailed flow behaviors based on the efficient iterative solution method armed with ILU(0) type pre-conditioner and BiCGSTAB method. The discrete elastic viscous split stress-G/streamline upwind Petrov Galerkin (DEVSS-G/SUPG) formulation was adopted as a stabilization method. The vortex size decreased as elasticity increases. However, the vortex enhancement was also observed in the case of large extensibility, which means that the vortex behavior is strongly dependent upon the material parameters. The longitudinal gradient of normal stress was found to retard the formation of vortex, whereas the extensional viscosity played a role in the vortex enhancement. The present results are expected to be helpful for understanding the inertial vortex dynamics of viscoelastic fluids in the flow past a confined cylinder.

Ion-Exchange Separation of Thorium in Monazite (이온交換樹指에 依한 토리움分離)

  • Choi, Han-Suk;Ha, Young-Gu
    • Journal of the Korean Chemical Society
    • /
    • v.5 no.1
    • /
    • pp.56-59
    • /
    • 1961
  • Ion exchange procedure was studied for the separation of thorium from the acidic solution obtained by means of decomposition of monazite with alkali solution. Present cation exchange method consists of adsorption of cations from the sample solution (ca. 0.6N HCl acidic) onto Amberlite IR-120 resin, elution of all of the rare earth cations with 700 ml. of 2N Hydrochloric acid, and recovery of the thorium by elution with 200ml. of 6N sulfaric acid. Thorium recovery by the ion-exchange method mentioned above, was quantitative, and it is concluded that this ion-exchange method may be used not only for industrial separation of thorium from rare earths but also for quantitative determination of thorium with relative error, ${\pm}1.0.$.

  • PDF

Preparation of TiO2Powder by Hydrothemal Precipitation Method and their Photocatalytic Properties (수열합성법에 의한 TiO2 분말 제조와 광촉매 특성)

  • Kim, Seok-Hyeon;Jeong, Sang-Gu;Na, Seok-En;Kim, Si-Young;Ju, Chang-Sik
    • Korean Chemical Engineering Research
    • /
    • v.51 no.2
    • /
    • pp.195-202
    • /
    • 2013
  • $TiO_2$ powders were prepared from titanium (IV) sulfate ($Ti(SO_4)_2$) solution using ammonia solution at low reaction temperature ($80{\sim}100^{\circ}C$) and atmospheric pressure by hydrothermal precipitation method without calcination. The effect of reaction conditions, such as reaction temperature, initial concentration of titanium (IV) sulfate ($Ti(SO_4)_2$) solution, pH of mixture solution and the physical properties of the prepared $TiO_2$, such as crystallite structure, crystallite size were investigated. The photocatalytic activity of prepared $TiO_2$ was tested by the photolysis of brilliant blue FCF (BB-FCF) under the UV and the analysis of UV-VIS diffuse reflectance spectroscopy (DRS). The physical properties of prepared $TiO_2$ were examined by X-ray diffraction (XRD), scanning electron microscopy (SEM), photoluminescence spectrometer (PL), particle size distribution measurements. The crystallite size and crystallinity of prepared $TiO_2$ increased with increasing titanium (IV) sulfate ($Ti(SO_4)_2$) concentration, but photocatalytic activity decreased. The crystallite size decreased with increasing pH of mixture solution, but photocatalytic activity increased. The crystallinity and photocatalytic activity increased with increasing reaction temperature. The results showed that anatase type $TiO_2$ could be prepared by hydrothermal precipitation method using titanium (IV) sulfate ($Ti(SO_4)_2$) solution and ammonia solution at low reaction temperature and atmospheric pressure without calcination.

Fabrication of 2-Dimensional ZnO Nanowall Structure (2차원 ZnO 나노벽 구조 제조)

  • Kim, Young-Jung;Cao, Guozhong;Kim, Yeong-Cheol;Ahn, Seung-Joon;Min, Joon-Won
    • Journal of the Korean Ceramic Society
    • /
    • v.42 no.7 s.278
    • /
    • pp.521-524
    • /
    • 2005
  • ZnO 2-D nanowall structure with around 100 nm thickness, which is composed of tens of nm scale ZnO single crystals, was fabricated through the low temperature chemical solution growth method. Electro Chemical Deposition (ECD) technique was applied to attach the ZnO seed crystals on ITO coated glass substrate. The ZnO nanowall structure was grown in the 0.015 mol$\%$ of aqueous solution of zinc nitrate and hexamethenamine at 60$^{\circ}C$ for 20 - 40 h. The nanowall structure depends on the ECD condition or the applied voltage and duration time. The nanowall shows a photoluminescence around 550 - 700 nm spectrum range.

Studies on Photosensitive Resins.-Molecular Weight Determination of Isophthalic Acid-Cinnamic Acid-Glycerine Polycondensates (感光性樹脂에 關한 硏究-Isophthalic acid-Cinnamic acid-Glycerine 系 縮重合物의 分子量에 關하여)

  • Shim, Jyong-Sup;Lee, Boo-Sop
    • Journal of the Korean Chemical Society
    • /
    • v.6 no.1
    • /
    • pp.94-98
    • /
    • 1962
  • The polycondensates of isophthalic acid-cinnamic acid-glycerine system were synthesized. The molecular weights of these products were determined by two methods, viscosity method and osmotic pressure methods. In the synthesis of resin, the reaction temperature was kept at 232$^{\circ}C$ and the mole ratio of the reactants was chosen as follows: Glycerine ;1.0 Isophthalic acid ;1.0 Cinnamic acid ;2.8 Excessive cinnamic acid prevented gelation of reaction mixtures. As the solution became very dilute, reduced osmotic pressure P/C (at the concentration of solution below 0.24g/100 ml of acetone) and reduced viscosity ${\eta}_{sp}/C$ (at the concentration of solution below 0.32 g/100 ml of acetone) increased rapidly. The correspondence between molecular weights determined by the two methods made Huggin's equation applicable to the prepared polymer. The values of K and a are $2.77{\times}10^{-5}$ and 1.063, respectively.

  • PDF