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Improvement of the durability of concrete for very long-term by computational science for the interaction between cement hydrates and alkalis

Research Project

Project/Area Number 17H03292
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Civil engineering materials/Construction/Construction management
Research InstitutionNational Institute for Environmental Studies

Principal Investigator

YAMADA KAZUO  国立研究開発法人国立環境研究所, 福島支部, 主任研究員 (30590658)

Co-Investigator(Kenkyū-buntansha) 田地川 浩人  北海道大学, 工学研究院, 助教 (10207045)
渡邊 禎之  地方独立行政法人東京都立産業技術研究センター, 事業化支援本部技術開発支援部先端材料開発セクター, 主任研究員 (70463065)
Project Period (FY) 2017-04-01 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥17,160,000 (Direct Cost: ¥13,200,000、Indirect Cost: ¥3,960,000)
Fiscal Year 2019: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Fiscal Year 2018: ¥6,630,000 (Direct Cost: ¥5,100,000、Indirect Cost: ¥1,530,000)
Fiscal Year 2017: ¥7,540,000 (Direct Cost: ¥5,800,000、Indirect Cost: ¥1,740,000)
Keywordsアルカリ / セメント水和物 / アルミノ珪酸カルシウム / 分子動力学 / 量子化学 / シミュレーション / NMR / 収着 / C-A-S-H / 相互作用 / 固体NMR / 量子化学計算 / 分子動力学計算 / 計算科学 / 量子力学計算 / フェロシアン化物 / セシウム / 吸着 / 個体NMR
Outline of Final Research Achievements

For some type of concrete durability, the concentrations of alkali ions such as Na, K, and in its pore solution can affect. Those concentrations are determined by the sorption on cement hydrates (binder of concrete) and for very long-term estimation of durability, it is required to modelling them. In this study, based on sorption experiments, the fundamental behaviors of alkali ions were clarified in atomic level by solid-state NMR, and molecular dynamic/quantum chemistry simulation. And fundamental information required for multi-species transfer model enable to estimate the alkali movement for very long-term.

Academic Significance and Societal Importance of the Research Achievements

コンクリート中のアルカリの挙動の理解は、アルカリ骨材反応や遅延エトリンガイト生成など耐久性問題や放射性Csの処分施設設計などで重要であるが、長期的挙動を推定する基礎情報が不足していた。アルカリは液相からセメント水和物に一部が収着されるが、単なる実験では理解しえない固液間の分配の作用機構を、固体NMRによる収着状態解析、計算科学により原子レベルでの現象の解明さて、アルカリ収着に及ぼす種々の因子が明らかとなり、コンクリートの超長期耐久性に資する情報を得た。

Report

(4 results)
  • 2019 Annual Research Report   Final Research Report ( PDF )
  • 2018 Annual Research Report
  • 2017 Annual Research Report
  • Research Products

    (21 results)

All 2020 2019 2018 2017 Other

All Int'l Joint Research (1 results) Journal Article (4 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 4 results,  Open Access: 1 results) Presentation (16 results) (of which Int'l Joint Research: 10 results,  Invited: 1 results)

  • [Int'l Joint Research] University of the Basque Country UPV/EHU(Spain)

    • Related Report
      2017 Annual Research Report
  • [Journal Article] Local Structures and Electronic States of C-S-H-Sodium-H2O Interface: NMR and DFT Studies2020

    • Author(s)
      Hiroto Tachikawa, Kazuko Haga, Sadayuki Watanabe, Kazuo Yamada
    • Journal Title

      J. Phys. Chem. C

      Volume: 124 Issue: 10 Pages: 5672-5680

    • DOI

      10.1021/acs.jpcc.9b11302

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effects of Soak Solution Type on Alkali Release from Volcanic Aggre-gates − Is Alkali Release Really Responsible for Accelerating ASR Expansion? −2018

    • Author(s)
      Yuichiro Kawabata, Kazuo Yamada, Go Igarashi and Yasutaka Sagawa
    • Journal Title

      Journal of Advanced Concrete Technology

      Volume: 16 Issue: 1 Pages: 61-74

    • DOI

      10.3151/jact.16.61

    • NAID

      130006321362

    • ISSN
      1346-8014, 1347-3913
    • Year and Date
      2018-01-27
    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Cs-137 immobilization in C-S-H gel nanopores2018

    • Author(s)
      Duque-Redondo Eduardo、Kazuo Yamada、L?pez-Arbeloa I?igo、Manzano Hegoi
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 20 Issue: 14 Pages: 9289-9297

    • DOI

      10.1039/c8cp00654g

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Mechanism of K + , Cs + ion exchange in nickel ferrocyanide: A density functional theory study2017

    • Author(s)
      Tachikawa Hiroto、Haga Kazuko、Yamada Kazuo
    • Journal Title

      Computational and Theoretical Chemistry

      Volume: 1115 Pages: 175-178

    • DOI

      10.1016/j.comptc.2017.06.009

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Presentation] C-S-H モデル分子と Na+イオン-水との相互作用の量子化学計算2019

    • Author(s)
      山田一夫、田地川浩人
    • Organizer
      セメント技術大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Radionuclides immobilization in cement matrix: capacity of C-(A)S-H to retain Cs2019

    • Author(s)
      Eduardo Duque-Redondo, Kazuo Yamada, Hegoi Manzano
    • Organizer
      15th International Congress on the Chemistry of Cement
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] OPTIMIZATION OF CONCRETE PRISM TEST FOR ASR EXPANSION BY ALKALI-WRAPPING AND A NEW APPROACH ASSESSING THE ALKALI REACTIVITY OF CONCRETE FOR NECLEAR FACILITIES2019

    • Author(s)
      K. Yamada, Y. Kawabata, S. Ogawa, K. Shibuya, J. Etoh, A. Teramoto, Go. Igarashi, I. Maruyama
    • Organizer
      Sustainable Materials, Systems and Structures, SMSS
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] C-S-H モデル分子とNa+イオン-水との相互作用の 量子化学計算2019

    • Author(s)
      田地川浩人,山田一夫
    • Organizer
      セメント技術大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Importance of the “pH of concrete” in various aspects of concrete durability and performance2019

    • Author(s)
      Kazuo Yamada, Yuichiro Kawabata, Go Igarashi, Yasutaka Sagawa
    • Organizer
      15th International Congress on the Chemistry of Cement
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Quantification of interaction between alkali metal ions and C-(A-)S-H/cement paste for a wide range of ion concentrations2019

    • Author(s)
      Kazuko Haga, Sadayuki Watanabe, Kazuo Yamada
    • Organizer
      15th International Congress on the Chemistry of Cement
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] MD simulation of alkali meal ions with C-A-S-H2018

    • Author(s)
      Duque-RedondoaEduardo, Yamada Kazuo, Inigo Lopez-Arbeloaa, ManzanoHegoi
    • Organizer
      セメント技術大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] セメント水和物へのCs、Srイオンの収着に及ぼすアルカリイオンの影響2018

    • Author(s)
      原澤 修一,芳賀 和子,渡邊 禎之,山田 一夫
    • Organizer
      日本原子力学会秋の大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] ALKALI UPTAKE EVALUATIONS OF C-A-S-H WITH STRUCTURE ANALYS BY NMR AND OF DEGRADATED OPC PASTE2018

    • Author(s)
      Yamada, K., Haga, K., Watanabe, S, Harasawa, S
    • Organizer
      2nd Workshop on C-S-H containing aluminium: C-A-S-H II
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] UNDERSTANDING OF THE EXPANSION MECHANISM BY ASR AND ITS IMPACT ON TESTING METHOD AND EXPANSION ESTIMATION2018

    • Author(s)
      Y. Kawabata1, K. Yamada
    • Organizer
      Conference in honor of Centennial LMC
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] The Effect of Ca/(Si+Al) of C-(A-)S-H Characterized by NMR on the Sorption of Alkali Metal Ions2018

    • Author(s)
      Sadayuki Watanabe, Kazuko Haga, Kazuo Yamada
    • Organizer
      NUWCEM, Cement-based Materials for Nuclear Wastes
    • Related Report
      2018 Annual Research Report 2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 県外最終処分に向けた 減容化濃縮物の廃棄体化2018

    • Author(s)
      山田一夫
    • Organizer
      環境放射能除染学会第13回講演会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Alkali uptake evaluations of C-A-S-H with structure analysis by NMR and of degraded OPC paste2018

    • Author(s)
      Kazuo Yamada, Kazuko Haga, Sadayuki Watanabe, Shuichi Harasawa
    • Organizer
      2nd Workshop on C-S-H containing aluminium: C-A-S-H II
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ASR 促進試験におけるアルカリラッピングの濃度の検討2018

    • Author(s)
      村上光樹、山田一夫、川端雄一郎、佐川康貴
    • Organizer
      第72回セメント技術大会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Importance of Alkali-Wrapping for CPT2017

    • Author(s)
      Kazuo Yamada, Yuichiro Kawabata, Shoichi Ogawa, Kazuko Haga, Yasutaka Sagawa, Takamasa Ochiai
    • Organizer
      Swelling Concrete in Dams and Hydraulic Structures: DSC 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Modelling of environmental conditions and their impact on the expansion of concrete affected by the alkali-silica reaction2017

    • Author(s)
      Yuichiro Kawabata, Kazuo Yamada, Shoichi Ogawa
    • Organizer
      Swelling Concrete in Dams and Hydraulic Structures: DSC 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research

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Published: 2017-04-28   Modified: 2021-02-19  

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