• Title/Summary/Keyword: chemical forms

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Thermodynamic Calculations on the Chemical Behavior of SrO During Electrolytic Oxide Reduction

  • Jeon, Min Ku;Kim, Sung-Wook;Lee, Sang-Kwon;Choi, Eun-Young
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.18 no.3
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    • pp.415-420
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    • 2020
  • Strontium is known as a salt-soluble element during the electrolytic oxide reduction (EOR) process. The chemical behavior of SrO during EOR was investigated via thermodynamic calculations to provide quantitative data on the chemical status of Sr. To achieve this, thermodynamic calculations were conducted using HSC chemistry software for various EOR conditions. It was revealed that SrO reacts with LiCl salt to produce SrCl2, even in the presence of Li2O, and that the ratio of SrCl2 depends on the initial concentration of Li2O dissolved in LiCl. It was found that SrO reacts with Li to produce Sr during EOR and that the reduced Sr reacts with LiCl salt to produce SrCl2. As a result, the proportions of metallic forms were lower in Sr than in La and Nd under various EOR conditions. The thermodynamic calculations indicated that the three chemical forms of SrO, SrCl2, and Sr co-exist in the EOR system under an equilibrium with Li, Li2O, and LiCl.

Effects of Soil Chemical Properties on the Distribution and Forms of Heavy Metals in Paddy Soils near Zine Mines (아연광산 주변 논토양에서 토양(土壤) 화학성(化學性)이 중금속의 형태(形態) 및 그 분포(分布)에 미치는 영향)

  • Hyun, Hae-Nam;Yoo, Sun-Ho
    • Korean Journal of Soil Science and Fertilizer
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    • v.24 no.3
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    • pp.183-191
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    • 1991
  • A study was conducted to determine the influence of soil chemical properties on the distribution and forms of cadmium (Cd), lead (Pb), copper(Cu) and Zinc(Zn) in paddy soils near zinc mines. A sequential extraction procedure was used to fractionate the heavy metals in soils into the designated from of water soluble, exchangeable, organically bound, oxide/carbonate, and sulfide/residual. The predominant form of Cd, Pb, Cu and Zn in the soils was found to be sulfide/residual form. Oxide/carbonate Cd and Pb and organically bound Cu were high, while exchangeable Pb and Cu were very low. Water soluble Cd, Pb and Cu were not detected in the soils. The percentages of the heavy metals content in exchangeable fractions were inversely correlated with those in sulfide/residual fractions in the soils. Exchangeable Cd and Zn and the oxide/carbonate Pb were shifting to the sulfide/residual form with soil depth and the chemical forms of Cu were not changed. Organically bound Cu was positively correlated with soil organic matter content but Cd, Pb and Zn were not. The percentages of Cd, Pb and Zn content in exchangeable forms decreased with soil pH, while those in oxide/carbonate and sulfide/residual forms increased with soil pH. The amounts of oxide/carbonate and sulfide/residual forms of pb were higher than those of Cd and Zn at same soil pH.

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Chemical Composition, In vivo Digestibility and Metabolizable Energy Values of Caramba (Lolium multiflorum cv. caramba) Fresh, Silage and Hay

  • Ozelcam, H.;Kirkpinar, F.;Tan, K.
    • Asian-Australasian Journal of Animal Sciences
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    • v.28 no.10
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    • pp.1427-1432
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    • 2015
  • The experiment was conducted to determine nutritive values of caramba (Lolium multiflorum cv. caramba) fresh, silage and hay by in vivo and in vitro methods. There was a statistically significant difference (p<0.01) in crude protein content value between fresh caramba (12.83%) and silage (8.91%) and hay (6.35%). According to results of experiment, the crude fiber, neutral detergent fiber, acid detergent fiber (ADF), acid detergent lignin contents of the three forms of caramba varied between 30.22% to 35.06%, 57.41% to 63.70%, 35.32% to 43.29%, and 5.55% to 8.86% respectively. There were no significant differences between the three forms of caramba in digestibility of nutrients and in vivo metabolizable energy (ME) values (p>0.05). However, the highest $ME_{CN}$ (ME was estimated using crude nutrients) and $ME_{ADF}$ values were found in fresh caramba (p<0.01). As a result, it could be said that, there were no differences between the three forms of caramba in nutrient composition, digestibility and ME value, besides drying and ensiling did not affect digestibility of hay. Consequently, caramba either as fresh, silage or hay is a good alternative source of forage for ruminants.

Eigenfunctions for Liouville Operators, Classical Collision Operators, and Collision Bracket Integrals in Kinetic Theory Made Amenable to Computer Simulations

  • Eu, Byung-Chan
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.779-789
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    • 2012
  • In the kinetic theory of dense fluids the many-particle collision bracket integral is given in terms of a classical collision operator defined in the phase space. To find an algorithm to compute the collision bracket integrals, we revisit the eigenvalue problem of the Liouville operator and re-examine the method previously reported [Chem. Phys. 1977, 20, 93]. Then we apply the notion and concept of the eigenfunctions of the Liouville operator and knowledge acquired in the study of the eigenfunctions to cast collision bracket integrals into more convenient and suitable forms for numerical simulations. One of the alternative forms is given in the form of time correlation function. This form, on a further manipulation, assumes a form reminiscent of the Chapman- Enskog collision bracket integrals, but for dense gases and liquids as well as solids. In the dilute gas limit it would give rise precisely to the Chapman-Enskog collision bracket integrals for two-particle collision. The alternative forms obtained are more readily amenable to numerical simulation methods than the collision bracket integrals expressed in terms of a classical collision operator, which requires solution of classical Lippmann-Schwinger integral equations. This way, the aforementioned kinetic theory of dense fluids is made fully accessible by numerical computation/simulation methods, and the transport coefficients thereof are made computationally as accessible as those in the linear response theory.

Theoretical Studies on MXO4 (M=Li, Na, K and X=F, Cl, Br, I) Salt Ion Pairs

  • Rashid, Mohammad Harun Or;Ghosh, Manik Kumer;Choi, Cheol-Ho
    • Bulletin of the Korean Chemical Society
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    • v.31 no.8
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    • pp.2215-2218
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    • 2010
  • The series of alkali metal perhalogenates, $MXO_4$ (M=Li, Na, K and X=F, Cl, Br, I) were theoretically studied with the help of MP2 methods. Bidentate as well as tridentate structures were found to be stable minima. The bidentate structures are becoming preferred as the size of halogen increases and as the size of metal decreases. Geometrically, the M-O and M-X distances of both bidentate and tridentate structures, increase with the size of metal. Generally, the M-$O_1$ distances of tridentate forms are longer than the corresponding distances of bidentate forms, while the M-X distances of tridentate forms show the opposite trend. Similarly, the X-O bonds increase with the size of halogens except $MXO_4$ pairs, where the X-O bonds are unusually long due to the enhanced oxygen-oxygen repulsions. In short, the relative energetics as well as the geometrical parameters are found to be strongly dependent on halogen and metal elements.

The Influence of the Cationic Surfactant on the Coloration of Chromogenic Reagents (I). The Dissociation Constants of Sulfophthalein Indicators in the Presence of Zephiramine (呈色詩藥의 發色에 미치는 陽이온 表面活性劑의 영향 (第1報). Zephiramine 의 存在下에서 여러가지 술포프탈레인 指示藥의 解離常數)

  • Su-Chan Moon
    • Journal of the Korean Chemical Society
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    • v.20 no.4
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    • pp.270-276
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    • 1976
  • The absorption spectra and the dissociation constants of various sulfophthaleins have been measured in the presence of a cationic surfactant. In the presence of 2.0 ${\times}$ 10-3 M zephiramine and an ionic strength of 0.05 at 25${\pm}1^{\circ}C$ the absorption maxima of the basic forms are shifted to red by 6${\sim}$21 nm and their molar absorptivities are increased, while the absorption maxima of the yellow forms are shifted to blue by 4${\sim}$20 nm and their molar absorptivities are decreased. The decreases in pKa values are of the order of ranging -1.38${\sim}$0.37. The characteristic of the observed changes has been explained by the assumption that the dye molecule adsorbed on micellar surface forms a stable coplanar structure easily and then the conjugation in the dye molecule is elevated.

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Potentiometric Back Titration of Isoniazid in Pharmaceutical Dosage Forms Using Copper Based Mercury Film Electrode (구리수은막 전극에을 사용한 이소니아자이드의 전위차 역적정)

  • Gajendiran, M.;Nazer, M.M. Abdul Kamal
    • Journal of the Korean Chemical Society
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    • v.55 no.4
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    • pp.620-625
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    • 2011
  • A simple, rapid potentiometric back titration of Isoniazid (INH) in the presence of Rifampicin (RIF) in tablets and syrups is described. The method is based on the oxidation of INH by a known excess of copper (II) ion and the back titration of unreacted copper (II) ion potentiometrically with ascorbic acid using a lab-made Copper Based Mercury Film Electrode (CBMFE). The titration conditions have been optimized for the determination of 1.0-10.0 mg of INH in pure and dosage forms. The precision and accuracy of the method have been assessed by the application of lack-of-fit test and other statistical methods. Interference was not caused by RIF and other excipients present in dosage forms. Application of the method for INH assay in tablets and syrups was validated by comparison of the results of proposed method with that of the British Pharmacopoeia (BP) method using F- and t- statistical tests of significance.

Photochromism of A Styrene-Derived Polymer Having Pendant Phenoxyanthraquinones

  • Ju, Sang-Yong;Ahn, Kwang-Duk;Han, Dong-Keun;Suh, Dong-Hack;Kim, Jong-Man
    • Journal of Photoscience
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    • v.7 no.4
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    • pp.131-133
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    • 2000
  • A Styrene-derived polymer having pendent phenoxyanthraquinones for photochromism was prepared by AIBN-initiated radical polymerization. Syntgesus of the monomers was straightforward and the polymer was obtained in 65% yield. Photoinduced rearrangement from the “trans” quinone forms to the “ana” quinone forms readily occurred both in solution and in film when the polymer was irradiated with UV light.

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Mesoporous Thin Films with Accessible Pores from Surfaces

  • Lee, U-Hwang;Kim, Min-Hye;Kwon, Young-Uk
    • Bulletin of the Korean Chemical Society
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    • v.27 no.6
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    • pp.808-816
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    • 2006
  • Among the many forms of mesoporous materials, thin films are important for the potential applications of this class of materials. Compared with the powder forms, however, there has been relatively little work done on thin films probably because of the lack of suitable and generalized synthetic mechanisms established. In this account, we will review the issues on mesoporous thin films with emphasis on the necessity of forming films with accessible pores from the film surfaces and on mesoporous thin films with metal oxides other than silica. Various methods that have been tried to utilize mesoporous thin films with accessible pores as templates for the synthesis of nanostructured materials are reviewed with the emphasis on the advantages of the electrochemical deposition technique.

Effects of Microsolvating Water on the Stability of Zwitterionic vs. Canonical Diglycine

  • Kim, Ju-Young;Won, Gang-Yeon;Lee, Sungyul
    • Bulletin of the Korean Chemical Society
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    • v.35 no.3
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    • pp.798-804
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    • 2014
  • We present calculations for diglycine - $(H_2O)_n$ (n = 0-3) to examine the effects of microsolvating water on the relative stability of the zwitterionic vs. canonical forms of the dipeptide. We calculate the structures, energies and Gibbs free energies of the conformers at wB97XD/6-311++G** and MP2/aug-cc-pvdz levels of theory level of theory. We predict that microsolvation by up to three water molecules does not give thermodynamic stability of the zwitterion relative to the canonical forms. Our calculations also suggest that zwitterionic diglycine - $(H_2O)_3$ is not stable kinetically in low temperature gas phase environment.