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Unraveling the structure of high-pressure hydrous silicate melts by multi-dimensional NMR spectroscopy and ab intio calculations

Research Project

Project/Area Number 17340164
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Petrology/Mineralogy/Science of ore deposit
Research InstitutionOkayama University

Principal Investigator

XUE Xianyu  Okayama University, Institute for Study of the Earth's Interior, Associate Professor, 地球物質科学研究センター, 助教授 (70362986)

Co-Investigator(Kenkyū-buntansha) KANZAKI Masami  Okayama University, Institute for Study of the Earth's Interior, Associate Professor, 地球物質科学研究センター, 助教授 (90234153)
Project Period (FY) 2005 – 2006
Project Status Completed (Fiscal Year 2006)
Budget Amount *help
¥12,800,000 (Direct Cost: ¥12,800,000)
Fiscal Year 2006: ¥1,800,000 (Direct Cost: ¥1,800,000)
Fiscal Year 2005: ¥11,000,000 (Direct Cost: ¥11,000,000)
Keywordsmelt / glass / structure / water / NMR / aluminosilicate / high pressure / ab initio calculation / 鉱物
Research Abstract

The purpose of this study was to unravel the structure of hydrous (alumino)silicate melts (glasses) at high pressure in order to understand the behavior of natural magmas. The main achievements are outlined below:
1.Development of multi-nuclear, multi-dimensional NMR techniques. Multi-dimensional NMR techniques are particularly powerful structural tools because of the direct information they provide about atomic connectivities. We have succeeded in a variety of NMR measurements including ^1H DQ (double quantum) MAS NMR, ^<27>Al 3Q (triple quantum) MAS NMR, and ^<27>Al-^1H HETCOR (heteronuclear correlation) and 3QMAS/HETCOR NMR.
2.Settling a long-term controversy concerning the water dissolution mechanism in polymerized aluminosilicate melts. By using above techniques, we have confirmed that the dissolution of water in polymerized aluminosilicate melts results in the depolymerization of the network structure through formation of SiOH/AlOH.
3.Unraveling the compositional dependency of water … More dissolution mechanisms in aluminosilicate melts. Our systematic study over a range of compositions, coupled with ab intio calculations, has revealed that the dissolution of water in (alumino)silicate melts/glasses involves two competing processes : (1) formation of SiOH/AlOH and depolymerization of the network structure, and (2) formation of free OH and polymerization of the network structure, with the latter favored by depolymerized compositions with cations of large field strength. Four-, five-and six-coordinate Al were found to coexist in hydrous Ca-and Mg-aluminosilicate glasses.
4.NMR study of high-pressure hydrous minerals. A similar study was also carried out on high-pressure hydrous minerals. This is not only important for understanding the structures of mantle minerals themselves, but also provided insights into the high-pressure behavior of hydrous melts/glasses.
5.Development of synthesis method for ^<17>O-enriched oxides. We have succeeded in synthesizing ^<17>O-enriched oxides with high yield. This is essential for ^<17>O NMR measurements on high-pressure materials of limited quantity. Less

Report

(3 results)
  • 2006 Annual Research Report   Final Research Report Summary
  • 2005 Annual Research Report
  • Research Products

    (9 results)

All 2007 2006

All Journal Article (9 results)

  • [Journal Article] Al coordination and water speciation in hydrous aluminosilicate glasses : direct evidence from high-resolution heteronuclear ^1H - ^<27>Al correlation NMR2007

    • Author(s)
      Xianyu Xue
    • Journal Title

      Solid State Nuclear Magnetic Resonance 31・1

      Pages: 10-27

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Al coordination and water speciation in hydrous aluminosilicate glasses : direct evidence from high-resolution heteronuclear ^1H-^<27>Al correlation NMR2007

    • Author(s)
      X.Xue, M.Kanzaki
    • Journal Title

      Solid State Nuclear Magnetic Resonance 31, 1

      Pages: 10-27

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Al coordination and water speciation in hydrous aluminosilicate glasses : direct evidence from high-resolution heteronuclear ^1H-^<27> Al Correlation NMR2007

    • Author(s)
      Xianyu Xue
    • Journal Title

      Solid State Nuclear Magnetic Resonance 31・1

      Pages: 10-27

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Cation order and hydrogen bonding of high-pressure phases in the Al_2O_3-SiO_2-H_2O system : An NMR and Raman study2006

    • Author(s)
      Xianyu Xue
    • Journal Title

      American Mineralogist 91・5-6

      Pages: 850-861

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Depolymerization effect of water in aluminosilicate glasses : direct evidence from ^1H-^<27>Al heteronuclear correlation NMR2006

    • Author(s)
      Xianyu Xue
    • Journal Title

      American Mineralogist 91・11-12

      Pages: 1922-1926

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Cation order and hydrogen bonding of high-pressure phases in the Al_2O_3-SiO_2-H_2O system : An NMR and Raman study2006

    • Author(s)
      X.Xue, M.Kanzaki
    • Journal Title

      American Mineralogist 91.5-6

      Pages: 850-861

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Depolymerization effect of water in aluminosilicate glasses : direct evidence from ^1H-^<27>Al heteronuclear correlation NMR2006

    • Author(s)
      X.Xue, M.Kanzaki
    • Journal Title

      American Mineralogist 91, 11-12

      Pages: 1922-1926

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Depolymerization effect of water in aluminosilicate glasses : direct evidence from ^1H-^<27> Al heteronuclear correlation NMR2006

    • Author(s)
      Xianyu Xue
    • Journal Title

      American Mineralogist 91・11-12

      Pages: 1922-1926

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Cation order and hydrogen bonding of high-pressure phases in the Al_2O_3-SiO_2-H_2O system : An NMR and Raman study2006

    • Author(s)
      Xianyu Xue
    • Journal Title

      American Mineralogist 91(In press)

    • Related Report
      2005 Annual Research Report

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Published: 2005-04-01   Modified: 2016-04-21  

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