• Title/Summary/Keyword: chemical states

Search Result 850, Processing Time 0.022 seconds

Nonstoichiometry and Magnetic Properties of the $Eu_{1-x}Sr_xCoO_{3-y}$ System ($Eu_{1-x}Sr_xCoO_{3-y}$계의 비화학량론과 자기적 특성)

  • Ryu, Kwang Hyun;Min, Ji Young;Yo, Chul Hyun
    • Journal of the Korean Chemical Society
    • /
    • v.39 no.7
    • /
    • pp.508-512
    • /
    • 1995
  • A series of samples in the $Eu_{1-x}Sr_xCoO_{3-y}$ system has been prepared by heating the proper amount of reactant mixture to 1150$^{\circ}C$ under an ambient atmosphere, and the solid solutions are identified by X-ray powder diffraction analysis. The crystal system of samples for the compositions of x=0.00 and 0.25 are found to be orthorhombic whose local symmetry is similiar to the distorted octahedra with orthoferrite type one, whereas those of x=0.50 and 0.75 to be the cubic system, and that of x=1.00 to the orthorhombic similiar to be the brownmillerite type. The amount of $Co^{4+}$ ion (${\tau}$ value) is maximized at the composition of x=0.50, and the oxygen vacancies increase with the x value. The nonstoichiometric chemical formula of each compound could be determined from the mole ratio of $Co^{4+}$ ion and oxygen vacancies. The $Co^{3+}$ ion located in octahedral site has spin transition from low spin to high spin states with increasing temperature. Therefore, the effective magnetic moment of each samples obtained from the magnetic measurement is increased with the increasing temperature. The $EuCoO_{3.00}$ has strong antiferromagnetic interaction between the neighboring $Co^{3+}$ ions through the intermediate oxygen ions. With the increasing ${\tau}$ value, the absolute {\theta}_p$ value is decreased by the ferromagnetic interaction of $Co^{3+}-O^2-Co^{4+}$ and thus the {\theta}_p$ has positive value at x=0.50.

  • PDF

An Ontology-based Generation of Operating Procedures for Boiler Shutdown : Knowledge Representation and Application to Operator Training (온톨로지 기반의 보일러 셧다운 절차 생성 : 지식표현 및 훈련시나리오 활용)

  • Park, Myeongnam;Kim, Tae-Ok;Lee, Bongwoo;Shin, Dongil
    • Journal of the Korean Institute of Gas
    • /
    • v.21 no.4
    • /
    • pp.47-61
    • /
    • 2017
  • The preconditions of the usefulness of an operator safety training model in large plants are the versatility and accuracy of operational procedures, obtained by detailed analysis of the various types of risks associated with the operation, and the systematic representation of knowledge. In this study, we consider the artificial intelligence planning method for the generation of operation procedures; classify them into general actions, actions and technical terms of the operator; and take into account the sharing and reuse of knowledge, defining a knowledge expression ontology. In order to expand and extend the general operations of the operation, we apply a Hierarchical Task Network (HTN). Actual boiler plant case studies are classified according to operating conditions, states and operating objectives between the units, and general emergency shutdown procedures are created to confirm the applicability of the proposed method. These results based on systematic knowledge representation can be easily applied to general plant operation procedures and operator safety training scenarios and will be used for automatic generation of safety training scenarios.

Spin and Pseudo Spins in Theoretical Chemistry. A Unified View for Superposed and Entangled Quantum Systems

  • Yamaguchi, Y.;Nakano, M.;Nagao, H.;Okumura, M.;Yamanaka, S.;Kawakami, T.;Yamaki, D.;Nishino, M.;Shigeta, Y.;Kitagawa, Y.;Takano, Y.;Takahata, M.;Takeda, R.
    • Bulletin of the Korean Chemical Society
    • /
    • v.24 no.6
    • /
    • pp.864-880
    • /
    • 2003
  • A unified picture for magnetism, superconductivity, quantum optics and other properties of molecule-based materials has been presented on the basis of effective model Hamiltonians, where necessary parameter values have been determined by the first principle calculations of cluster models and/or band models. These properties of the matetials are qualitatively discussed on the basis of the spin and pseudo-spin Hamiltonian models, where several quantum operators are expressed by spin variables under the two level approximation. As an example, ab initio broken-symmetry DFT calculations are performed for cyclic magnetic ring constructed of 34 hydrogen atoms in order to obtain effective exchange integrals in the spin Hamiltonian model. The natural orbital analysis of the DFT solution was performed to obtain symmetry-adapted molecular orbitals and their occupation numbers. Several chemical indices such as information entropy and unpaired electron density were calculated on the basis of the occupation numbers to elucidate the spin and pair correlations, and bonding characteristic (kinetic correlation) of this mesoscopic magnetic ring. Both classical and quantum effects for spin alignments and singlet spin-pair formations are discussed on the basis of the true spin Hamiltonian model in detail. Quantum effects are also discussed in the case of superconductivity, atom optics and quantum optics based on the pseudo spin Hamiltonian models. The coherent and squeezed states of spins, atoms and quantum field are discussed to obtain a unified picture for correlation, coherence and decoherence in future materials. Implications of theoretical results are examined in relation to recent experiments on molecule-based materials and molecular design of future molecular soft materials in the intersection area between molecular and biomolecular materials.

Effect of Support Geometry on Catalytic Activity of Pt/CeO2 Nanorods in Water Gas Shift Reaction (Water Gas Shift 반응에서 Pt/CeO2 촉매의 지지체구조에 따른 촉매활성 연구)

  • Im, Hyo Been;Kwon, Soon Jin;Byun, Chang Ki;Ahn, Hee Sung;Koo, Kee Young;Yoon, Wang Lai;Yi, Kwang Bok
    • Transactions of the Korean hydrogen and new energy society
    • /
    • v.25 no.6
    • /
    • pp.577-585
    • /
    • 2014
  • Nanorod and particle shape $CeO_2$ were synthesized via hydrothermal process and precipitation method, respectively, and used as supports of Pt catalyst for water gas shift (WGS) reaction. Three different durations (12, 48, and 96h) for hydrothermal process were applied for the preparation of nanorod type $CeO_2$. 1.0 wt% of Pt was loaded on the prepared supports with incipient wetness method prior to the catalytic activity tests that were carried out at a GHSV of $95,541h^{-1}$, and a temperature range of 200 to $360^{\circ}C$. Varying duration of hydrothermal process led to the difference in physical characteristics of $CeO_2$ nanorods, such as aspect ratio, BET surface area, pore diameter, and pore volume. Consequently, the catalytic activities of Pt/$CeO_2$ nanorods were affected by the physical characteristics of the supports and appeared to be in the order of Pt/$CeO_2$(12) > Pt/$CeO_2$(48) > Pt/$CeO_2$(96). The comparison of the catalytic activities and results of the analysis (XPS, XRD, SEM, BET and TPR) for the supports revealed that the activity of the catalysts depends on chemical states of the Pt and the support materials in the temperature range that is lower than $280^{\circ}C$. However, the activity is rather dependent on the physical characteristic of the supports because the increased gas velocity limits the mass transfer of reactants in micropores of the supports.

Effects of a Biological Amendment on Chemical and Biological Properties and Microbial Diversity in Soils Receiving Different Organic Amendments (각기 다른 유기물이 투여된 토양에서 토양의 화학적, 미생물학적 특성과 미생물의 다양성에 미치는 생물비료의 효과)

  • Park, Kee-Choon;Kremer, Robert J.
    • Korean Journal of Soil Science and Fertilizer
    • /
    • v.40 no.4
    • /
    • pp.234-241
    • /
    • 2007
  • Biological amendments consisting of suspensions of selected microorganisms are often used in conjunction with various organic materials for amending soils to improve soil quality and plant growth. The effects of the biological amendment on chemical and biological properties of soil were investigated for a biological amendmentalone and when combined with different organic materials includingmunicipal compost (MC), poultry litter (PL), and cover crops (red clover (RC) and spring oats). A liquid preparation of a biological amendment called Effective Microorganisms was sprayed on the tested plots three times over a two-year period. Effective Microorganisms alone did not influence pH, K, or organic matter content in soil. However, increases in P in PL-treated soils in fall of both years andCa in MC-treated soil in fall 2001, and decreases in Ca, Mg, and cation exchange capacity (CEC) in RC-planted soil were associated with EM. Increased dehydrogenase(DH) activitiesassociated with Effective Microorganismswere only detected in July (P=0.0222) and October (P=0.0834) for RC-planted soils in the first year. Fluorescein diacetate (FDA) hydrolysisappeared to be enhanced by Effective Microorganisms in soils untreated or treated with MC and oatsbut only sporadically during the sampling period. FDA hydrolysis in both PL- and RC-treated soils as well as DH activity in PL-treated soils decreased with Effective Microorganisms treatment. Effective Microorganisms did not influence substrate utilization patterns expressed by the BIOLOG assay. We conclude that Effective Microorganisms effects on soil chemical and biological properties varied depending on the added organic materials. Effective Microorganisms periodically increased soil DH activity and FDA hydrolysis with RC and with MC plus oats, respectively.

Optical Properties and Structural Analysis of SiO2 Thick Films Deposited by Plasma Enhanced Chemical Vapor Deposition (PECVD법에 의해 증착된 SiO2 후막의 광학적 성질 및 구조적 분석)

  • Cho, Sung-Min;Kim, Yong-Tak;Seo, Yong-Gon;Yoon, Hyung-Do;Im, Young-Min;Yoon, Dae-Ho
    • Journal of the Korean Ceramic Society
    • /
    • v.39 no.5
    • /
    • pp.479-483
    • /
    • 2002
  • Silicon dioxide thick film using silica optical waveguide cladding was fabricated by Plasma Enhanced Chemical Vapor Deposition(PECVD) method, at a low temperature ($320^{\circ}$C) and from $(SiH_4+N_2O)$ gas mixtures. The effects of deposition parameters on properties of $SiO_2$ thick films were investigated by variation of $N_2O/SiH_4$ flow ratio and RF power. After the deposition process, the samples were annealed in a furnace at $1150^{\circ}$C, in N2 atmosphere, for 2h. As the $N_2O/SiH_4$ flow ratio increased, deposition rate decreased from 9.4 to 2.9 ${\mu}m/h$. As the RF power increased, deposition rate increased from 4.7 to 6.9 ${\mu}m/h$. The thickness and the refractive index measurements were measured by prism coupler. X-ray Photoelectron Spectroscopy(XPS) and Fourier Transform-infrared Spectroscopy(FT-IR) were used to determine the chemical states. The cross-section of films was observed by Scanning Electron Microscopy(SEM).

Nonstoichiometry and Characteristics of the Perovskite $Y_{1-x}A_xFeO_{3-y}$ (A = Ca, Sr) Systems (페롭스카이트 $Y_{1-x}A_xFeO_{3-y}$ (A = Ca, Sr)계의 비화학양론과 특성 연구)

  • Yo, Chul-Hyun;Lee, Seung-Hyun;Lee, Sung-Joo;Park, Sung-Ho
    • Journal of the Korean Chemical Society
    • /
    • v.35 no.6
    • /
    • pp.617-624
    • /
    • 1991
  • Nonstoichiometric solid solutions of $Y_{1-x}A_xFeO_{3-y}$ (A = Ca, Sr) systems with perovskite structure were prepared for x = 0.00, 0.25, 0.50, 0.75 and 1.00 at 1200$^{\circ}C$ under atmospheric pressure, respectively. Crystallographic structures of the solid solutions of all compositions have been determined by the analysis of X-ray diffraction patterns. Reduced lattice volume of the $Y_{1-x}Ca_xFeO_{3-y}$ system was decreased with increasing x value and that of the $Y_{1-x}Sr_xFeO_{3-y}$ system was increased with increasing the x value. The mole ratios of $ Fe^{4+}$ to $ Fe^{3+}$, ${\tau}$, values in the solid solutions have been determined by Mohr salt's method of analysis and then the mixed valency was identified by Mossbauer spectroscopic analysis at 298 K. The y values were calculated from the x and ${\tau}$, and then nonstoichiometric chemical formulas were fixed. The conduction mechanism could be explained by hopping model of the conduction electrons between the mixed valence states.

  • PDF

Study of Nonstoichiometric Composition and Physical Properties of $Sr_{1+x}Ho_{1-x}FeO_{4-y}$ System ($Sr_{1+x}Ho_{1-x}FeO_{4-y}$계의 비화학량론적 조성과 그 물성에 관한 연구)

  • Kwang Sun Ryu;Kwang Hyun Ryu;Kwon Sun Roh;Chul Hyun Yo
    • Journal of the Korean Chemical Society
    • /
    • v.37 no.11
    • /
    • pp.923-928
    • /
    • 1993
  • The series of solid solutions in the $Sr_{1+x}Ho_{1-x}FeO_{4-y}$ (x = 0.00, 0.25, 0.50, 0.75 and 1.00) systems with $K_2NiF_4$ type structure have been prepared at 1550$^{\circ}$C under an atmospheric air pressure. The X-ray powder diffraction spectra of these samples assign that the crystallographic phases are tetragonal system over the whole x range. The lattice volume was increased with increasing the substitution amount of the $Sr^{2+}$ ion. The mole ratio of the $Fe^{4+}$ ion to total iron ions or ${\tau}$ value has been determined by Mohr salt titration of the sample and then the y value was calculated from x and ${\tau}$ values. The ${\tau}$ and y values have been increased with x values. The nonstoichiometric chemical formula are formulated from the general formula of $Sr_{1+x}Ho_{1-x}Fe^3_{1-}\;^+_{\tau}Fe_{\tau}^{4+}O_{4-y}$ replaced by x,${\tau}$ and y values. Mossbauer spectra show the mixed valence state and coordination state of $Fe^{3+}\;and\;Fe^{4+}$ ions. It is found out that the magnetic property of the samples is paramagnetic at room temperature. Electrical conductivity varied within the semiconductivity range of 1.0 to 1 ${\times}\;10^{-9}{\Omega}^{-1}cm^{-1}$. Activation energy of the electrical conductivity was decreased with the $\tau$ value. The conduction mechanism should be explained by the hopping model of the conduction electrons between the valence states of $Fe^{3+}\;and\;Fe^{4+}$ ions.

  • PDF

Analysis of Coherence in Middle School Students' Representation of Particulate Concepts (중학생들의 전해질과 이온에 관련된 입자 개념 표현의 일관성 분석)

  • Yoon, Heojeong;Lee, Yoonha
    • Journal of the Korean Chemical Society
    • /
    • v.58 no.6
    • /
    • pp.580-589
    • /
    • 2014
  • The concepts used to explain specific phenomenon can be influenced by context or coherent regardless of context. The purpose of this study is to understand middle school students' concept of particles in particular context and to investigate the effects of context on concept of particles. A conceptual questionnaire was developed to find out how students represented particles in two contexts: solid and solution states of electrolytes, and ion precipitation reaction. The questionnaire was administered to $9^{th}$ grade students after classes of 'electrolyte and ions' unit. The responses of students were analyzed using framework developed for categorization of students' concepts. The results are as follows: First, it was found that students used various concepts on particles when they explained solid and solution state of electrolytes, respectively. Second, we identified students' concepts of particles used to explain ion precipitation reaction. In addition, we recognized that majority of students failed to write correct chemical symbols. Third, approximately 79% of students showed coherent responses for explanation of particles in solution state of both electrolytes and ion precipitation reaction. About 57% of students had scientific concepts. Some suggestions were made based on results for acquisition of scientific concepts on particles in different contexts.

Geochemical Characteristics of Allanite from Rare Metal Deposits in the Chungju Area, Chungcheongbuk-Do (Province), Korea (충주지역 희유원소광상에서 산출되는 갈렴석의 지구화학적특성)

  • Park, Maeng-Eon;Kim, Gun-Soo;Choi, In-Sik
    • Economic and Environmental Geology
    • /
    • v.29 no.5
    • /
    • pp.545-559
    • /
    • 1996
  • Rare metal (Nb-Zr-REE) ore deposits are located in the Chungju area. Geotectonically, the rare metal ore deposits are situated in the transitional zone between Kyeonggi massif and Okcheon belt. The rare metal deposits are distributed in Kyemyeongsan Formation which consist of schist and alkaline igneous rocks. Alkali granite has suffered extensive post-magmatic metasomatism and hydrothermal processes. The ore contains mainly Ce-La, Ta-Nb, Y, Y-Nd, Nd-Th group minerals. More than 15 RE and REE minerals are found in the ore deposits. Allanite, one of the Ce-La rich REE minerals belonging to the epidote group, is the most common mineral in the studied area. The allanite- bearing rocks may be devided into seven types by features of occurrence and mineral associations; zircon type (ZT), allanite-vein type (AT), feldspar type (KT), fluorite type (FT), quartz-mica type (QT), iron-oxide type (MT), and amphibole type (HT). The allanite veins (AT) and zircon rich rocks (ZT) contain the highest total REE contents. Differences in REE abundance can be interpreted in terms of varying portions of magmatic hydrothermal fluid. Petrographical and chemical data are presented for allanites which were collected from different types. The allanites show wide variations in optical properties, due in part to differences in their chemical composition (depending on the types) and to the degree of crystallinity of the individual specimens. Allanite metamicts in biotite are generally surrounded by well developed pleochroic haloes. Usually, allanite is accompanied by zircon and other REE-bearing minerals. CaO and total REE contents $({\sum}RE_2O_3)$ range from 9.29 to 18.79% and 11.66 to 26.31%, respectively. Also, SiO, (28.87~32.61%), $Al_2O_3$ (8.30~16.88%), and $Fc_2O_3$ (16.74~24.38%) contents show varying contents from type to type. The ${\sum}RE_2O_3$ of allanite has positive relationships with $Fe_2O_3$ and negative relaton with CaO, $SiO_2$, and $Al_2O_3$ Backscattered electron microscope images (BEl) of allanite shows that the its mineral composition and texture is very complex. The allanite-bearing hosts show distinct light REE enrichment with strong negative Eu anomaly except for HI. The HT has an almost flat REE distribution pattern with a small negative Eu anomaly. The chemical variation of the allanites with occurrences and mineral association can be related to condition of temperature and oxidation states in precipitation environment.

  • PDF