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2019 Fiscal Year Annual Research Report

先端エネルギーと医療応用のための多機能性ナノポーラス材料の理論設計と実験的創製

Research Project

Project/Area Number 17H03122
Research InstitutionTohoku University

Principal Investigator

ベロスルドフ ロディオン  東北大学, 金属材料研究所, 准教授 (10396517)

Co-Investigator(Kenkyū-buntansha) 松田 亮太郎  名古屋大学, 工学研究科, 教授 (00402959)
川添 良幸  東北大学, 未来科学技術共同研究センター, 名誉教授 (30091672)
竹谷 敏  国立研究開発法人産業技術総合研究所, 計量標準総合センター, 上級主任研究員 (40357421)
大村 亮  慶應義塾大学, 理工学部(矢上), 教授 (70356666)
Project Period (FY) 2017-04-01 – 2020-03-31
KeywordsNanoporous materials / Clathrate hydrate / Metal-organic framework / Computer simulation / guest-host interaction / gas storage/separation / hermodynamic properties
Outline of Annual Research Achievements

The study of the kinetic process of CO2 hydrate and ice melting at the molecular level showed instantaneous change of the H-bond network during the solid-liquid transition. The nature of the dissociation process is a collective phenomenon. The significant effect of CO2 molecules on the decomposition of the hydrate associated with the H2O-CO2 interactions was found. The phase diagram and structure of the CH4+HFO-1234ze(E) and CH4+HFC-245fa clathrate hydrates were studied. It was found that the HFC-245fa-water interaction is stronger than the HFO-1234ze(E)-water one and the presence of methane more greatly enhances the interaction between HFC-245fa. The optimal mass fraction of guest molecules were evaluated by measurement of equilibrium temperature and the dissociation heat of TBPAc and TME hydrates for application of these hydrates as thermal energy storage medium. The porhyrin-based MOF structures was studied for storage QDs having low Cd concentration and their electronic structure and optical properties were evaluated. The CO2 adsorption mechanism into M(Hpdc)2(pdc)2 (M= Mn, Mg) was studied. Theoretical modelling revealed that the guest-guest interaction plays an important role in formation a stable CO2 unique chain configurations. A pronounced step observed in experimental adsorption isotherm was explained by delaying of the chain formation that associated with low guest permeability inside the pore. The removal of dimethyl sulfide from a real gas in the presence of moisture using selected MOFs were reported and compared their performance with that of Ag-Y zeolite.

Research Progress Status

令和元年度が最終年度であるため、記入しない。

Strategy for Future Research Activity

令和元年度が最終年度であるため、記入しない。

  • Research Products

    (19 results)

All 2020 2019

All Journal Article (14 results) (of which Int'l Joint Research: 14 results,  Peer Reviewed: 14 results,  Open Access: 2 results) Presentation (5 results) (of which Int'l Joint Research: 4 results,  Invited: 1 results)

  • [Journal Article] Transformation of hydrogen bond network during CO2 clathrate hydrate dissociation2020

    • Author(s)
      Gets Kirill、Belosludov Vladimir、Zhdanov Ravil、Bozhko Yulia、Belosludov Rodion、Subbotin Oleg、Marasanov Nikita、Kawazoe Yoshiyuki
    • Journal Title

      Applied Surface Science 2020

      Volume: 499 Pages: 143644~143644

    • DOI

      10.1016/j.apsusc.2019.143644

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Equilibrium temperature and dissociation heat of tetrabutylphosphonium acrylate (TBPAc) ionic semi-clathrate hydrate as a medium for the hydrate-based thermal energy storage system2020

    • Author(s)
      K. Nemoto, T. Ikeda, H. Mori, S. Alavi, S. Takeya and R. Ohmura
    • Journal Title

      JOURNAL OF CHEMICAL THERMODYNAMICS 2020

      Volume: Volume: 144 Pages: 106088

    • DOI

      10.1016/j.jct.2020.106088

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Pseudo-Gated Adsorption with Negligible Volume Change Evoked by Halogen-Bond Interaction in the Nanospace of MOFs2020

    • Author(s)
      P. Kanoo, R. Matsuda, H. Sato, L. Li, N. Hosono and S. Kitagawa
    • Journal Title

      CHEMISTRY-A EUROPEAN JOURNAL 2020

      Volume: Volume: 26 Issue: 10 Pages: 2148-2153

    • DOI

      10.1002/chem.201904703

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Direct observation of dimethyl sulfide trapped by MOF proving efficient removal of sulfur impurities2020

    • Author(s)
      M. Morita, A. Yonezu, S. Kusaka, A. Hori, Y. Ma and R. Matsuda
    • Journal Title

      RSC ADVANCES 2020

      Volume: Volume: 10 Issue: 8 Pages: 4710-4714

    • DOI

      10.1039/c9ra09702c

    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] The nano-structural inhomogeneity of dynamic hydrogen bond network of TIP4P/2005 water2020

    • Author(s)
      V. Belosludov, K Gets, R Zhdanov, V Malinovsky, Y Bozhko, R Belosludov, N Surovtsev, O Subbotin and Y. Kawazoe
    • Journal Title

      Scientific Reports 2020

      Volume: Volume: 10 Pages: 7323

    • DOI

      10.1038/s41598-020-64210-1

    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Understanding hysteresis in carbon dioxide sorption in porous metal-organic frameworks2019

    • Author(s)
      S. A. Sapchenko, M. O. Barsukova, R. V. Belosludov, K. A. Kovalenko, D. G. Samsonenko, A. S. Poryvaev, A. M. Sheveleva, M. V. Fedin, A. S. Bogomyakov, D. N. Dybtsev, M. Schroder, and V. M. Fedin
    • Journal Title

      INORGANIC CHEMISTRY 2019

      Volume: Volume: 58 Issue: 10 Pages: 6811-6820

    • DOI

      10.1021/acs.inorgchem.9b00016

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Phase diagram and composition of water based crystalline phases in hydrogen - Water binary system2019

    • Author(s)
      R. K. Zhdanov, Yu. Yu. Bozhko, V. R. Belosludov, O. S. Subbotin, K. V. Gets, R. V. Belosludov, and Y. Kawazoe
    • Journal Title

      SOLID STATE COMMUNICATIONS 2019

      Volume: Volume: 294 Pages: 6-10

    • DOI

      10.1016/j.ssc.2019.03.002

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Crystal Growth of Clathrate Hydrate with Methane plus Partially Water Soluble Large-Molecule Guest Compound2019

    • Author(s)
      K. Ozawa and R. Ohmura
    • Journal Title

      CRYSTAL GROWTH & DESIGN 2019

      Volume: Volume: 19 Issue: 3 Pages: 1689-1694

    • DOI

      10.1021/acs.cgd.8b01625

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Thermophysical property measurements on tetrabutylphosphonium sulfate ionic semiclathrate hydrate consisting of the bivalent anion2019

    • Author(s)
      Y. Arai, R. Koyama, F. Endo, A. Hotta, and R. Ohmura
    • Journal Title

      JOURNAL OF CHEMICAL THERMODYNAMICS 2019

      Volume: Volume: 131 Pages: 330-335

    • DOI

      10.1016/j.jct.2018.11.017

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Stability and characterization of the structure II binary clathrate hydrate of the refrigerant trans-1,3,3,3-tetrafluoropropene plus methane2019

    • Author(s)
      K. Nemoto, T. Ikeda, H. Mori, S. Alavi, S. Takeya and R. Ohmura
    • Journal Title

      NEW JOURNAL OF CHEMISTRY 2019

      Volume: Volume: 43 Issue: 33 Pages: 13068-13074

    • DOI

      10.1039/c9nj02605c

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Diversity in Crystal Growth Dynamics and Crystal Morphology of Structure-H Hydrate2019

    • Author(s)
      R. Matsuura, S. Horii, S. Alavi and R. Ohmura
    • Journal Title

      CRYSTAL GROWTH & DESIGN 2019

      Volume: Volume: 19 Issue: 11 Pages: 6398-6404

    • DOI

      10.1021/acs.cgd.9b00870

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework2019

    • Author(s)
      S. Kusaka, A. Kiyose, H. Sato, Y. Hijikata, A. Hori, Y. Ma and R. Matsuda
    • Journal Title

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2019

      Volume: Volume: 141 Issue: 40 Pages: 15742-15746

    • DOI

      10.1021/jacs.9b07682

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Microwave-Assisted Hydrothermal Synthesis of [Al(OH)(1,4-NDC)] Membranes with Superior Separation Performances2019

    • Author(s)
      Y. Liu, A. Hori, S. Kusaka, N. Hosono, M. Li, A. Guo, D. Du, Y. Li, W. Yang, Y. Ma and R. Matsuda
    • Journal Title

      CHEMISTRY-AN ASIAN JOURNAL 2019

      Volume: Volume: 14 Issue: 12 Pages: 2072-2076

    • DOI

      10.1002/asia.201900152

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Selective Sensing of Fe3+ Ions Using a Water-stable Magnesium Coordination Polymer2019

    • Author(s)
      Y. Liu, J. Xu, Y. Ma, R. Yuan and R. Matsuda
    • Journal Title

      CHEMISTRY LETTERS 2019

      Volume: Volume: 48 Issue: 2 Pages: 156-158

    • DOI

      10.1246/cl.180921

    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Thermodynamic description of storage ability of nanoporous materials: Lattice dynamics and first-principles methods.2019

    • Author(s)
      Rodion Belosludov
    • Organizer
      European Materials Research Society (E-MRS) Spring Meeting
    • Int'l Joint Research
  • [Presentation] Structure-property relationship of nanoporous materials based on guest-host interaction.2019

    • Author(s)
      Rodion Belosludov
    • Organizer
      The 10th Conference of Asian Consortium for Computational Materials Science.
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical design of porphyrin-based nanostructures.2019

    • Author(s)
      Rodion Belosludov
    • Organizer
      ナノ学会2019年(第17回)大会
  • [Presentation] Atomistic-level description of stability and composition of multi-component clathrate hydrates.2019

    • Author(s)
      Rodion Belosludov
    • Organizer
      258th ACS National Meeting
    • Int'l Joint Research
  • [Presentation] Theoretical study of porphyrin-based MOF structure for storage, separation and drug delivery applications.2019

    • Author(s)
      Rodion Belosludov
    • Organizer
      258th ACS National Meeting
    • Int'l Joint Research

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Published: 2021-01-27  

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