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Unraveling the structure of CO2- and H2O-bearing silicate melts

Research Project

Project/Area Number 23244105
Research Category

Grant-in-Aid for Scientific Research (A)

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

Principal Investigator

XUE Xianyu  岡山大学, 地球物質科学研究センター, 准教授 (70362986)

Co-Investigator(Kenkyū-buntansha) KANZAKI Masami  岡山大学, 地球物質科学研究センター, 教授 (90234153)
Project Period (FY) 2011-04-01 – 2014-03-31
Project Status Completed (Fiscal Year 2013)
Budget Amount *help
¥32,370,000 (Direct Cost: ¥24,900,000、Indirect Cost: ¥7,470,000)
Fiscal Year 2013: ¥6,240,000 (Direct Cost: ¥4,800,000、Indirect Cost: ¥1,440,000)
Fiscal Year 2012: ¥7,020,000 (Direct Cost: ¥5,400,000、Indirect Cost: ¥1,620,000)
Fiscal Year 2011: ¥19,110,000 (Direct Cost: ¥14,700,000、Indirect Cost: ¥4,410,000)
Keywordsマグマ / ガラス / 構造 / 二酸化炭素 / 水 / 核磁気共鳴法 / 分光法 / メルト / 第一原理計算 / 揮発性成分 / ケイ酸塩
Research Abstract

In order to unravel the structure of H2O- and CO2- bearing silicate melts, we have synthesized silicate glasses of a range of compositions using piston cylinder apparatus and internally heated gas pressure vessel, and have characterized them by various NMR techniques as well as Raman spectroscopy. Quantum chemical calculations were also performed to assist data interpretation. This study has provided new insights into the compositional dependency of H2O and CO2 dissolution mechanisms in silicate melts. It was confirmed that CO2 is dissolved in depolymerized silicate melts dominantly as free carbonates, i.e. carbonate species not linked to the silicate network, and dominantly as network carbonates and molecular CO2 in fully polymerized silicate melts.

Report

(4 results)
  • 2013 Annual Research Report   Final Research Report ( PDF )
  • 2012 Annual Research Report
  • 2011 Annual Research Report
  • Research Products

    (38 results)

All 2014 2013 2012 2011 Other

All Journal Article (8 results) (of which Peer Reviewed: 6 results) Presentation (29 results) Remarks (1 results)

  • [Journal Article] NMR Spectroscopy of Inorganic Earth Materials2014

    • Author(s)
      Jonathan F. Stebbins and Xianyu Xue
    • Journal Title

      Reviews in Mineralogy and Geochemistry

      Volume: 78 Issue: 1 Pages: 605-653

    • DOI

      10.2138/rmg.2014.78.15

    • Related Report
      2013 Annual Research Report 2013 Final Research Report
  • [Journal Article] Hydroxyl speciation in felsic magmas2014

    • Author(s)
      Wim Malfait and Xianyu Xue
    • Journal Title

      Geochimica et Cosmochimica

      Volume: (accepted)

    • Related Report
      2013 Final Research Report
  • [Journal Article] Crystal structures of Zn2SiO4 III and IV synthesized at 6.5–8 GPa and 1,273 K2013

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

      Physics and Chemistry of Minerals

      Volume: 40 Issue: 6 Pages: 1-12

    • DOI

      10.1007/s00269-013-0584-6

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Raman and NMR spectroscopic characterization of high-pressure K-cymrite (KAlSi<sub>3</sub>O<sub>8</sub><sup>.</sup>H<sub>2</sub>O) and its anhydrous form (kokchetavite)2012

    • Author(s)
      Kanzaki, Masami
    • Journal Title

      Journal of Mineralogical and Petrological Sciences

      Volume: 107 Issue: 2 Pages: 114-119

    • DOI

      10.2465/jmps.111020i

    • NAID

      10030122449

    • ISSN
      1345-6296, 1349-3825
    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Raman and NMR spectroscopic characterization of high-pressure K-cymrite (KAlSi3O8.H2O) and its anhydrous form (kokchetavite)2012

    • Author(s)
      Kanzaki, M., X. Xue, J. Amalberti and Q. Zhang
    • Journal Title

      Journal of Mineralogical and Petrological Sciences

      Volume: 107 Issue: 19 Pages: 114-119

    • DOI

      10.1021/jp3008859

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Structural characterization of moganite-type AlPO4 by NMR and powder X-ray diffraction2012

    • Author(s)
      Kanzaki, Masami
    • Journal Title

      Inorganic Chemistry

      Volume: 51 Issue: 11 Pages: 6164-6172

    • DOI

      10.1021/ic300167k

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Neutron and X-Ray Diffraction and IR and 1H and 29Si NMR Spectroscopic Investigation of Armenite: Behavior of Extra Framework Ca Cations and H2O Molecules in Microporous Silicates2012

    • Author(s)
      Charles A. Geiger
    • Journal Title

      Zeitschrift fur Kristallographie

      Volume: 227 Issue: 7 Pages: 411-426

    • DOI

      10.1524/zkri.2012.1515

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Raman and NMR spectroscopic characterization of high-pressure K-cymrite (KAlSi_3O_8-H_2O) and its anhydrous form (kokchetavite)2012

    • Author(s)
      Masami KANZAKI, Xianyu XUE, Julien AMALBERTI, Qian ZHANG
    • Journal Title

      Journal of Mineralogical and Petrological Sciences

      Volume: 107(印刷中)

    • NAID

      10030122449

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Presentation] Paul Floury and Tsubasa Tobase (2014) CO_2 speciation in Ca- and Naaluminosilicate glasses as a function of melt polymerization : A multi-nuclear NMR study2014

    • Author(s)
      Xianyu Xue, Masami Kanzaki
    • Organizer
      Goldschmidt 2014
    • Place of Presentation
      Sacramento, CA, USA
    • Year and Date
      2014-06-10
    • Related Report
      2013 Final Research Report
  • [Presentation] Spectroscopic study of CO_2-bearing magmas2014

    • Author(s)
      Masami Kanzaki and Xianyu Xue
    • Organizer
      Geofluid 3 : Nature and Dynamics of Fluids in Subduction Zones
    • Place of Presentation
      Tokyo Inst. Technology
    • Year and Date
      2014-03-02
    • Related Report
      2013 Final Research Report
  • [Presentation] Dissolution mechanism of carbonate in silicate melts : Information from ab initio calculations and ^<13>C NMR measurements2013

    • Author(s)
      Xianyu Xue and Masami Kanzaki
    • Organizer
      第52回NMR討論会
    • Place of Presentation
      金沢市石川県立音楽堂
    • Year and Date
      2013-11-13
    • Related Report
      2013 Final Research Report
  • [Presentation] ケイ酸塩メルト(ガラス)における炭酸塩の化学種 : ab initio 計算と13C NMR からの新しい知見2013

    • Author(s)
      薛献宇・神崎正美
    • Organizer
      日本鉱物科学会2013年度年会
    • Place of Presentation
      筑波大学
    • Year and Date
      2013-09-13
    • Related Report
      2013 Final Research Report
  • [Presentation] Carbonate speciation in depolymerized silicate melts (glasses) : New evidence from ab initio calculations and ^<13>C MAS and static NMR measurements2013

    • Author(s)
      Xianyu Xue, Masami Kanzaki
    • Organizer
      Goldschmidt 2013
    • Place of Presentation
      Florence, Italy
    • Year and Date
      2013-08-30
    • Related Report
      2013 Final Research Report
  • [Presentation] NMR crystallography of high-pressure silicate minerals and related inorganic materials2013

    • Author(s)
      Xianyu Xue and Masami Kanzaki
    • Organizer
      EUROMAR 2013
    • Place of Presentation
      Hersonissos, Crete, Greece
    • Year and Date
      2013-07-05
    • Related Report
      2013 Annual Research Report 2013 Final Research Report
  • [Presentation] ケイ酸塩メルトへの二酸化炭素の溶解機構2013

    • Author(s)
      神崎正美・薛献宇
    • Organizer
      日本地球惑星科学連合2013年大会
    • Place of Presentation
      幕張(千葉)
    • Year and Date
      2013-05-22
    • Related Report
      2013 Final Research Report
  • [Presentation] 含水ケイ酸塩ガラスの構造について2013

    • Author(s)
      神崎正美
    • Organizer
      若手懇談会, ニューガラスフォーラム
    • Place of Presentation
      東京
    • Year and Date
      2013-02-19
    • Related Report
      2013 Final Research Report
  • [Presentation] Water speciation in sodium silicate glasses (quenched melts) : A comprehensive NMR study2012

    • Author(s)
      Xianyu Xue, Masami Kanzaki and James Eguchi
    • Organizer
      AGU fall meeting 2012
    • Place of Presentation
      San Francisco, CA, USA
    • Year and Date
      2012-12-07
    • Related Report
      2013 Final Research Report
  • [Presentation] アルカリケイ酸塩メルト(ガラス)における水の溶解機構2012

    • Author(s)
      薛献宇・神崎正美
    • Organizer
      日本鉱物科学会2012年度年会
    • Place of Presentation
      京都大学
    • Year and Date
      2012-09-19
    • Related Report
      2013 Final Research Report
  • [Presentation] モガナイト構造を持つ高圧AlPO4相について2012

    • Author(s)
      神崎正美・薛献宇
    • Organizer
      日本地球惑星科学連合2011年大会
    • Place of Presentation
      幕張メッセ(千葉県)
    • Year and Date
      2012-05-25
    • Related Report
      2011 Annual Research Report
  • [Presentation] NMR Crystallography of high-pressure minerals : Recent progress2012

    • Author(s)
      Xianyu Xue, Masami Kanzaki
    • Organizer
      Joint Symposium of Misasa-2012 and Geofluid-2" Dynamics and Evolution of the Earth's Interior : special emphasis on the role of fluids
    • Place of Presentation
      ブランナールみささ(鳥取県)
    • Year and Date
      2012-03-20
    • Related Report
      2011 Annual Research Report
  • [Presentation] Crystal structures of three new AlPO4 high-pressure phases from powder X-ray diffraction, NMR and first principles calculations, and their unique J-coupling characteristics2011

    • Author(s)
      Xianyu Xue, Masami Kanzaki
    • Organizer
      ISNMR2011 (International Symposium on Nuclear Magnetic Resonance 2011 : The 50th Memorial Annual Meeting of the Nuclear Magnetic Resonance Society of Japan)
    • Place of Presentation
      大桟橋ホール(神奈川県)
    • Year and Date
      2011-11-16
    • Related Report
      2011 Annual Research Report
  • [Presentation] アルミノ珪酸塩相のSi-29 NMR特徴:J結合を利用した測定から見た意外な一面2011

    • Author(s)
      薛献宇、神崎正美
    • Organizer
      第50回固体NMR・材料フォーラム
    • Place of Presentation
      京都平安ホテル(京都府)
    • Year and Date
      2011-10-25
    • Related Report
      2011 Annual Research Report
  • [Presentation] K-cymriteの構造と特異な29Si NMR特徴2011

    • Author(s)
      薛献宇・神崎正美
    • Organizer
      日本鉱物科学会2011年度年会
    • Place of Presentation
      茨城大学(茨城県)
    • Year and Date
      2011-09-10
    • Related Report
      2011 Annual Research Report
  • [Presentation] K-cymrite (KAlSi3O8.H2O)とその無水相のラマン分光2011

    • Author(s)
      神崎正美、薛献宇、Julien Amalberti、Qian Zhang
    • Organizer
      日本鉱物科学会2011年度年会
    • Place of Presentation
      茨城大学(茨城県)
    • Year and Date
      2011-09-10
    • Related Report
      2011 Annual Research Report
  • [Presentation] Carbonate Speciation in Depolymerized Silicate Melts (Glasses): New Evidence from ab Initio Calculations and 13C MAS and Static NMR Measurements

    • Author(s)
      Xianyu Xue, Masami Kanzaki
    • Organizer
      Goldschmidt 2013
    • Place of Presentation
      Florence, Italy
    • Related Report
      2013 Annual Research Report
  • [Presentation] ケイ酸塩メルト(ガラス)における炭酸塩の化学種:ab initio計算と13C NMRからの新しい知見

    • Author(s)
      薛献宇・神崎正美
    • Organizer
      日本鉱物科学会2013年度年会
    • Place of Presentation
      筑波大学
    • Related Report
      2013 Annual Research Report
  • [Presentation] Dissolution mechanism of carbonate in silicate melts: Information from ab initio calculations and 13C NMR measurements

    • Author(s)
      Xianyu Xue, Masami Kanzaki
    • Organizer
      第52回NMR討論会
    • Place of Presentation
      金沢市石川県立音楽堂
    • Related Report
      2013 Annual Research Report
  • [Presentation] CO2 speciation in Ca- and Na- aluminosilicate glasses as a function of melt polymerization: A multi-nuclear NMR study

    • Author(s)
      Xianyu Xue, Masami Kanzaki, Paul Floury and Tsubasa Tobase
    • Organizer
      Goldschmidt 2014
    • Place of Presentation
      Sacramento Convention Center, Californica, USA
    • Related Report
      2013 Annual Research Report
  • [Presentation] ケイ酸塩メルトへの二酸化炭素の溶解機構

    • Author(s)
      神崎正美・薛献宇
    • Organizer
      日本地球惑星科学連合2013年大会
    • Place of Presentation
      幕張(千葉)
    • Related Report
      2013 Annual Research Report
  • [Presentation] Spectroscopic study of CO2-bearing magmas

    • Author(s)
      Kanzaki, M. and Xue, X.
    • Organizer
      Geofluid 3: Nature and dynamics of fluids in subduction zones
    • Place of Presentation
      Tokyo Inst. Technology
    • Related Report
      2013 Annual Research Report
  • [Presentation] Ca2AlSiO5.5欠陥ペロブスカイト低圧相の結晶構造

    • Author(s)
      神崎 正美
    • Organizer
      日本地球惑星科学連合2012年大会
    • Place of Presentation
      幕張メッセ(千葉)
    • Related Report
      2012 Annual Research Report
  • [Presentation] 第一原理計算によるNMRパラメータの予測:K-cymriteとAlPO4多形

    • Author(s)
      神崎 正美
    • Organizer
      日本地球惑星科学連合2012年大会
    • Place of Presentation
      幕張メッセ(千葉)
    • Related Report
      2012 Annual Research Report
  • [Presentation] The crystal structures of two Zn2SiO4 high-pressure polymorphs

    • Author(s)
      Liu, Xianyu
    • Organizer
      日本地球惑星科学連合2012年大会
    • Place of Presentation
      幕張メッセ(千葉)
    • Related Report
      2012 Annual Research Report
  • [Presentation] アルカリケイ酸塩メルト(ガラス)におけ る水の溶解機構

    • Author(s)
      薛 献宇
    • Organizer
      日本鉱物科学会2012年度年会
    • Place of Presentation
      京都大学
    • Related Report
      2012 Annual Research Report
  • [Presentation] Breakdown of a common notion for 29Si NMR of aluminosilicates: Information from J-resolved and CPMG measurements

    • Author(s)
      Xue, Xianyu
    • Organizer
      第51回NMR討論会
    • Place of Presentation
      愛知県名古屋市ウインクあいち
    • Related Report
      2012 Annual Research Report
  • [Presentation] Water speciation in sodium silicate glasses (quenched melts): A comprehensive NMR study

    • Author(s)
      Xue, Xianyu
    • Organizer
      American Geophysical Union (AGU) fall meeting 2012
    • Place of Presentation
      San Francisco, USA
    • Related Report
      2012 Annual Research Report
  • [Presentation] An investigation of armenite, BaCa2Al6Si9O302H2O: H2O molecules and H bonding in microporous silicates

    • Author(s)
      Charles A. Geiger
    • Organizer
      American Geophysical Union (AGU) fall meeting 2012
    • Place of Presentation
      San Francisco, USA
    • Related Report
      2012 Annual Research Report
  • [Remarks]

    • URL

      http://www.misasa.okayama-u.ac.jp/~xianyu/xianyu_j.shtml

    • Related Report
      2013 Final Research Report

URL: 

Published: 2011-04-06   Modified: 2019-07-29  

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