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Structural study of hydrated ions in confinement

Research Project

Project/Area Number 17550023
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionFukuoka University

Principal Investigator

YAMAGUCHI Toshio  Fukuoka University, Faculty of Science, Professor, 理学部, 教授 (70158111)

Project Period (FY) 2005 – 2006
Project Status Completed (Fiscal Year 2006)
Budget Amount *help
¥3,600,000 (Direct Cost: ¥3,600,000)
Fiscal Year 2006: ¥1,000,000 (Direct Cost: ¥1,000,000)
Fiscal Year 2005: ¥2,600,000 (Direct Cost: ¥2,600,000)
KeywordsNanometer pore / hydrated ion / microscopic structure / MCM-41 / Activated carbon / Aqueous electrolyte solutions / Hydrogen bonding / Acetonitrile / XAFS / X線回折 / 中性子散乱 / 相挙動 / ナノ空間 / 水和構造 / X線・中性子散乱 / 界面 / 水の構造 / メソ細孔 / 拡散係数
Research Abstract

In this study, the structure and dynamics of water, methanol, acetonitrile, and several aqueous electrolyte solutions confined in well-controlled MCM-41 with hydrophilic surface and activated carbon fibers with hydrophobic surface have been investigated by differential scanning calorimetry, FTIR, X-ray diffraction and quasi-elalstic neutron scattering.
(1) For MCM-41 C10(pore diameter 21 Å), C14(28 Å), and C18(37 Å), monolayered water are strongly bound to the surface silanol groups (SiOH) with an O-O distance of 2.6 Å, resulting in distorted hydrogen bonding network in capillary-condensed water. The translational diffusion coefficients of water molecules decrease with decreasing pore size and were found to be about half to bulk water.
(2) Methanol molecules confined in MCM-41 C10 and C14 form strong hydrogen bonds with the silanol groups. The structure and dynamics of the methanol molecules on the surface show little dependency on pore size and temperature. On the other hand, capillary-condensed methanol molecules form a chain-like structure as in bulk, but its hydrogen-boned network is very distorted.
(3) Acetonitrile molecule confined in MCM-41 C14 interact with the surface silanol groups by dipole-dipole interactions with an N-O distance of about 3 Å. Translational diffusion of acetonitrile molecules in the pores is more retarded than that in bulk, and its activation energy was found to be about 7-12 kJ/mol, much smaller than that of water.
(4) Capillary-condensed heavy water confined in MCM-41 C10 has shown a dynamical cross-over at around 229 K from low-density water to high-density water.
(5) The aqueous electrolyte solutions confined in MCM-41 C10, C14, C18, and ACF showed a decrease in melting point with lowering surface charge density of ions. The structure of the first hydration shell of the ions is similar to that in bulk.

Report

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

    (29 results)

All 2007 2006 2005 Other

All Journal Article (29 results)

  • [Journal Article] Structure and dynamic properties of liquids confined in MCM-41 mesopores2007

    • Author(s)
      T.Yamaguchi
    • Journal Title

      European Physical Journal Special Topics 141

      Pages: 19-27

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Structure and dynamic properties of liquids confined in MCM-41 mesopores2007

    • Author(s)
      T.Yamaguchi, K.Yoshida, T.Takamuku, S.Kittaka, et al.
    • Journal Title

      The European Physical Journal Special Topics 141

      Pages: 19-27

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Hydration water in dynamics of a hydrated β-lactoglobulin2007

    • Author(s)
      K.Yoshida, T.Yamaguchi, M.-C.Bellissent-Funel, S.Longeville
    • Journal Title

      The European Physical Journal Special Topics 141

      Pages: 223-226

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Enthalpy and interfacial free energy changes of water capillary condensed in mesoporous silica, MCM-41 and SBA-152006

    • Author(s)
      S.Kittaka
    • Journal Title

      Physical Chemistry Chemical Physics 8

      Pages: 3223-3231

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] X-ray diffraction study of water confined in activated carbon pores over a temperature range of 228-298 K2006

    • Author(s)
      T.Yamaguchi
    • Journal Title

      Journal of Molecular Liquids 129

      Pages: 57-62

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Enthalpy and interfacial free energy changes of water capillary condensed in mesoporous silica, MCM-41 and SBA-152006

    • Author(s)
      S.Kittaka, et al.
    • Journal Title

      Physical Chemistry Chemical Physics 8

      Pages: 3223-3231

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] X-ray diffraction study of water confined in activated carbon pores over a temperature range of 228-298 K2006

    • Author(s)
      T.Yamaguchi, et al.
    • Journal Title

      Journal of Molecular Liquids 129

      Pages: 57-62

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Enthalpy and interfacial free energy changes of water capillary condensed in mesoporous silica, MCM-41 and SBA-152006

    • Author(s)
      Kittaka, S, Ishimaru, S, Kuranishi, M, Matsuda T, Yamaguchi, T
    • Journal Title

      Physical Chemistry Chemical Physics 8

      Pages: 3223-3231

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Thermal properties and mixing state of ethylene glycol-water binary solutions by calorimetry, large-angle X-ray scattering, and small-angle neutron scattering2006

    • Author(s)
      M.Matsugami, T.Takamuku, T.Otomo, T.Yamaguchi
    • Journal Title

      The Journal of Physical Chemistry B 110・25

      Pages: 12372-12379

    • Related Report
      2006 Annual Research Report
  • [Journal Article] X-ray diffraction study of water confined in activated carbon ores over a temperature range of 228-298K2006

    • Author(s)
      T.Yamaguchi, H.Hashi, S.Kittaka
    • Journal Title

      Journal of Molecular Liquids 129

      Pages: 57-62

    • Related Report
      2006 Annual Research Report
  • [Journal Article] 170 NMR relaxation study of dynamics of water molecules in aqueous mixtures of methanol, ethanol, and 1-propernol over a temperature range of 283-403K2006

    • Author(s)
      K.Yoshida, A.Kitajo, T.Yamaguchi
    • Journal Title

      Journal of Molecular Liquids 125

      Pages: 158-163

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Amyloid formation aand cytotoxicity of a de novo designed protein, amylidgenesin, and its analogs2006

    • Author(s)
      T.Okada, S.Lee, K.Yoshida, T.Yamaguchi, M.Nakashima, M.Takahashi
    • Journal Title

      Peptide Science 2005

      Pages: 217-220

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Neutron scattering study on dynamics of water molecules in MCM-41.2. Determination of translational diffusion coefficient.2005

    • Author(s)
      S.Takahara
    • Journal Title

      The Journal of Physical Chemistry, B 109・22

      Pages: 11231-11239

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Interlayer Water molecules in vanadium pentoxide hydrate. 8. Dynamic properties by quasi-elastic neutron scattering.2005

    • Author(s)
      S.Kittaka
    • Journal Title

      Langmuir 21・4

      Pages: 1389-1397

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Structure of methanol confined in MCM-41 investigated by large-angle X-ray scattering technique.2005

    • Author(s)
      T.Takamuku
    • Journal Title

      The Journal of Physical Chemistry, B 109・2

      Pages: 892-899

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Neutron scattering study on dynamics of water molecules confined in MCM-412005

    • Author(s)
      S.Takahara
    • Journal Title

      Adsorption 11

      Pages: 479-483

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Low temperature properties of acetonitrile confined in MCM-41.2005

    • Author(s)
      S.Kittaka
    • Journal Title

      The Journal of Physical Chemistry, B 109・49

      Pages: 23162-23169

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Neutron scattering study on dynamics of water molecules in MCM-41. 2. Determination of translational diffusion coefficient.2005

    • Author(s)
      S.Takahara, et al.
    • Journal Title

      The Journal of Physical Chemistry B, 109-22

      Pages: 11231-11239

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Interlayer Water molecules in vanadium pentoxide hydrate. 8. Dynamic properties by quasi-elastic neutron scattering.2005

    • Author(s)
      S.Kittaka, et al.
    • Journal Title

      Langmuir 21-4

      Pages: 1389-1397

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Structure of methanol confined in MCM-41 investigated by large-angle X-ray scattering technique.2005

    • Author(s)
      T.Takamuku, et al.
    • Journal Title

      The Journal of Physical Chemistry, B 109-2

      Pages: 892-899

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Neutron scattering study on dynamics of water molecules confined in MCM-412005

    • Author(s)
      S.Takahara, et al.
    • Journal Title

      Adsorption 11

      Pages: 479-483

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Low temperature properties of acetonitrile confined in MCM-41.2005

    • Author(s)
      S.Kittaka, et al.
    • Journal Title

      The Journal of Physical Chemistry B, 109-49

      Pages: 23162-23169

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Neutron scattering study on dynamics of water molecules in MCM-41.2. Determination of translational diffusion coefficient.2005

    • Author(s)
      Takahara, S., Sumiyama, N., Kittaka, S., Yamaguchi, T., Bellissent-Funel, M.-C.
    • Journal Title

      J. Phys. Chem. B 109(22)

      Pages: 11231-11239

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Interlayer Water molecules in vanadium pentoxide hydrate. 8. Dynamic properties by quasi-elastic neutron scattering.2005

    • Author(s)
      Kittaka, S., Takahara, S., Yamaguchi, T., Bellissent Funel, M.-C.
    • Journal Title

      Langmuir 21(4)

      Pages: 1389-1397

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Structure of methanol confined in MCM-41 investigated by large-angle X-ray scattering technique.2005

    • Author(s)
      Takamuku, T., Maruyama, H., Kittaka, S., Takahara, S., Yamaguchi, T.
    • Journal Title

      J. Phys. Chem. B 109(2)

      Pages: 892-899

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Neutron scattering study on dynamics of water molecules confined in MCM-41.2005

    • Author(s)
      Takahara, S., Kittaka, S., Mori, T, Kuroda, Y, Yamaguchi, T., Bellissent-Funel, M.-C.
    • Journal Title

      Adsorption 11

      Pages: 479-483

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Low temperature properties of acetonitrile confined in MCM-412005

    • Author(s)
      Kittaka, S., Iwashita, T., Serizawa, A., Kranishi, M., Takahara, S., Kuroda, Y., Mori, T., Yamaguchi, T.
    • Journal Title

      J Phys. Chem. B 109(49)

      Pages: 23162-23169

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Collective dynamics of supercritical water2005

    • Author(s)
      Yamaguchi, T., Yoshida, K., Yamamoto, N., Hosokawa, S., Inui, M., Baron, A.Q.R., Tsutsui, S.
    • Journal Title

      J. Phys. Chem. Solids 66

      Pages: 2246-2249

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Structure and dynamic properties of liquids confined in MCM-41 mesopores

    • Author(s)
      T.Yamaguchi, et al.
    • Journal Title

      European Physical Journal Special Topics 141

      Pages: 19-27

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary

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

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