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Study of Ionic Configuration and Reactivity of Slag Used for Iron and Steel Making by Measurement of EPMA Spectrum and Its Molecular orbital Calculation

Research Project

Project/Area Number 10650736
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Metal making engineering
Research InstitutionHimeji Institute of Technology

Principal Investigator

MORISHITA Masao  Himeji Inst.Tech.Dept.of Materials Sci.& Eng.Assist.Prof., 工学部, 講師 (60244696)

Co-Investigator(Kenkyū-buntansha) KOYAMA Koichiro  Himeji Inst.Tech.Dept.of Materials Sci.& Eng.Prof., 工学部, 教授 (60047595)
Project Period (FY) 1998 – 2000
Project Status Completed (Fiscal Year 2000)
Budget Amount *help
¥3,500,000 (Direct Cost: ¥3,500,000)
Fiscal Year 2000: ¥700,000 (Direct Cost: ¥700,000)
Fiscal Year 1999: ¥1,000,000 (Direct Cost: ¥1,000,000)
Fiscal Year 1998: ¥1,800,000 (Direct Cost: ¥1,800,000)
Keywordsslag / SiO_2-CaO / molecular orbital calculation / Si K_β specrum / O K_α spectrum / content / density of states / basicity / スラグ / EPMA / OK_αX線発光スペクトル / SiK_βスペクトル
Research Abstract

Si K_β and O K_α X-ray emission spectra of SiO_2-CaO binary slags simulated by theDV-Xα molecular orbital calculation were compared with ones measured by EPMA.The composition of the slag has been incorporated in the calculation of the Si_<3p> and O_<2p> partial density of states (PDOS). The calculated Si_<3p> and O_<2p> PDOS as a function of the CaO content agreed well with the measured Si K_β and O K_α X-ray emission spectra of the glassy state 62.4mol%SiO_2-37.6mol%CaO and 43.3mol%SiO_2-56.7mol%CaO binary slags. The present method was found to provide a useful means of clarifying the change in ionic configuration of the slag with metal oxide content, and also of understanding the concept of basicity.

Report

(4 results)
  • 2000 Annual Research Report   Final Research Report Summary
  • 1999 Annual Research Report
  • 1998 Annual Research Report
  • Research Products

    (13 results)

All Other

All Publications (13 results)

  • [Publications] M.Morishita,K.Koyama,T.Kikko,M.Morinaga and H.Adachi: "A Method of Incorporating the Composition into the Calculation of the O K_α X-ray Emission Spectram of the Glassy State SiO_2-Na_2O Binary Slag with the DV-XαMolecular Orbital Calculation"Advances in Quantum Chemisty. 37. 163-177 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] M.Morishita,K.Koyama and T.Kikko: "A Method of Incorporating the Composition into the Calculation of the Si K_β X-ray Emission Spectram of the Glassy State SiO_2-CaO Binary Slag with the DV-XαMolecular Orbital Calculation"Materials Research Society Symposium Proceedings The Optical Properties of Materials. 579. 261-266 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] M.Morishita,K.Koyama and T.Kikko: "A Model of Ionic Configuration of the SiO_2-CaO Binary Glass from Measurement of the O K_α X-ray Emission Spectrum and Its Molecular Orbital Calculation"Abstract of MRS Fall Meeting. 601-601 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] M.Morishita, K.Koyama, T.Kikko, M.Morinaga and H.Adachi: "A Method of Incorporating the Composition into the Calculation of the O K_α X-ray Emission Spectram of the Glassy State SiO_2-Na_2O Binary Slag with the DV-Xα Molecular Orbital Calculation"Advances in Quantum Chemisty. 37. 163-177 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] M.Morishita, K.Koyama and T.Kikko: "A Method of Incorporating the Composition into the Calculation of the Si K_β X-ray Emission Spectram of the Glassy State SiO_2-CaO Binary Slag with the DV-Xα Molecular Orbital Calculation"Materials Research Society Symposium Proceedings The Optical Properties of Materials. 579. 261-266 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] M.Morishita,K.Koyama,T.Kikko,M.Morinaga and H.Adachi: "A Method of Incorporating the Composition into the Calculation of the O K_α X-ray Emission Spectram of the Glassy State SiO_2-Na_2O Binary Slag with the DV-Xα Molecular Orbital Calculation"Advances in Quantum Chemisty. 37. 163-177 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] M.Morishita,K.Koyama and T.Kikko: "A Method of Incorporating the Composition into the Calculation of the Si K_β X-ray Emission Spectram of the Glassy State SiO_2-CaO Binary Slag with the DV-Xα Molecular Orbital Calculation"Materials Research Society Symposium Proceedings The Optical Properties of Materials. 579. 261-266 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] M.Morishita,K.Koyama and T.Kikko: "A Model of Ionic Configuration of the SiO_2-CaO Binary Glass from Measurement of the O K_α X-ray Emission Spectrum and Its Molecular Orbital Calculation"Abstract of MRS Fall Meeting. 601-601 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] 森下政夫、香山滉一郎、亀甲忠義: "SiO_2-CaOスラグのSiK_βX線発光スペクトルの計算にCaO濃度を取り入れる方法"DV-X_α研究協会会報. 12,No.2. 43-47 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] 森下政夫、香山滉一郎、亀甲忠義: "SiO_2-CaOスラグのOK_αX線発光スペクトルの分子軌道計算にCaO濃度を取り入れる方法"第31回溶融塩化学討論会講演要旨集. 31. 59-60 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] M.Morishita,K.Koyama and T.Kikko: "A Method of Incorporating Composition into the Calculation of the Si K_β X-ray Emission Spectrum of the SiO_2-Cao Binary Slag by the DV-X_α Molecular Orbital Calculation"Abstracts of MRS Fall Meeting. 41-41 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] M.Morishita,K.Koyama,T.Kikko,M.Morinaga and H.Adachi: "A Method of Incorporating the Composition into the OK_α X-ray Emission Spectrum of the Glassy State SiO_2-Na_2O Binary Slag by the DV-X α Molecular Orbital Calculation." DV・Xα研究協会会報. 11,No.1. 157-159 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] 森下政夫、香山滉一郎、亀甲忠義、森永正彦、足立裕彦: "分子軌道法によるSiO_2-CaOスラグのSi K_βX線発光スペクトルのシミュレーションに金属酸化物の濃度を取り入れる方法" 第30回溶融塩化学討論会講演要旨集. 30. 73-74 (1998)

    • Related Report
      1998 Annual Research Report

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Published: 1998-04-01   Modified: 2016-04-21  

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