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Design of Novel Functional Nanospace and Nanocalorimetry Analysis with Moleqular Simulation

Research Project

Project/Area Number 11640574
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field 機能・物性・材料
Research InstitutionShunshu University (2000)
Chiba University (1999)

Principal Investigator

SUZUKI Takaomi  Faculty of Engineering, Shunshu University Associate Professor, 工学部, 助教授 (20196835)

Project Period (FY) 1999 – 2000
Project Status Completed (Fiscal Year 2000)
Budget Amount *help
¥3,500,000 (Direct Cost: ¥3,500,000)
Fiscal Year 2000: ¥1,400,000 (Direct Cost: ¥1,400,000)
Fiscal Year 1999: ¥2,100,000 (Direct Cost: ¥2,100,000)
Keywordsadsorption / nanospace / molecular simulation / カロリメトリー
Research Abstract

The interaction between adsorbate and adsorbent is enhanced in the nanospace becouse of the overlap of the surface physisoption potentials. Measurement of the suface isosteric heat of adsorption provides the information of the potential depth. However, the measurement of sub-monolayer adsorption is indispensable to estimate the adsorbate-adsorbent direct interaction. In addition the measurement of isosteric heat of adsorption at sub-monolayer region is also necessary. Very sensitive adsorption measurement apparatus and calorimeter are needed. In this study, laser position sensor and sensitive quartz spring were combined, and sub-monolayer adsorption was able to be measured. Combination of nano-calorimeter and vacuum system made the possibility of sub-monolayer heat of adsorption measurement.
Heat of adsorption by molecular adsorption reflects the molecule-solid surface potential. However, it is very difficult to measure the thermal vibration energy of adsorbed molecules experimentally. Here I introduced molecular simulation, and the kinetic energy of surface adsorbed molecules was considered. The most stable position of adsorbed molecule at 303 K was determined by mutual interaction with adsorbed molecules. Computer simulation provides possibility of design of molecular sieves or special storage materials.

Report

(3 results)
  • 2000 Annual Research Report   Final Research Report Summary
  • 1999 Annual Research Report
  • Research Products

    (21 results)

All Other

All Publications (21 results)

  • [Publications] K.Kaneko,Y.Hanzawa,T.Iiyama,T.Kanda,and T.Suzuki: "Cluster-mediated water adsorption on carbon nanospaces"Adsorption. 5. 7-13 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] T.Suzuki,T.Iiyama,K.E.Gubbins,and K.Kaneko:: "Quasi-symmetry structure of CCl_4 molecular assemblies in a graphitic nanopore : a grand canonical Monte Carlo simulation;"Langmuir. 15. 5870-5875 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] M.Aoshima,T.Suzuki,and K.Kaneko: "Molecular association-mediated micropore filling of supercritical Xe in a graphite slit pore by grand canonical Monte Carlo simulation"Chem.Phys.Lett.. 310. 1-7 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] T.Ohkubo,T.Iiyama,T.Suzuki,and K.Kaneko: "Confined state of alcohol in carbon micropores as revealed by in situ X-ray"diffractionStudies in Surface Science and Catalysis. 128. 411-419 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] T.Suzuki,R.Kobori,and K.Kaneko: "Grand canonical Monte Carlo simulation-assisted pore-width determination of molecular sieve carbon by ambient temperature N_2 adsorption"Carbon. 38. 630-633 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] M.Aoshima,T.Suzuki,and K.Kaneko: "Stabilized cluster formation of supercritical Xe in carbon nanopores;"Studies in Surface Science and Catalysis. 129. 711-720 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] 立本英機,安部郁夫 編: "活性炭の応用技術-その維持管理と問題点"テクノシステム. 6 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] T.Ohkubo, T.Iiyama, K.Nishikawa, T.Suzuki, K.Kaneko: "Pore width-dependent ordering of C_2H_5OH molecules confined in graphitic slit nanospaces"J.Phys.Chem.B. 103. 1859-1863 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] K.Kaneko, Y.Hanzawa, T.Iiyama, T.Kanda, T.Suzuki: "Cluster-mediated water adsorption on carbon nanospaces"Adsorption. 5. 7-13 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] T.Suzuki, T.Iiyama, K.E.Gubbins, K.Kaneko: "Quasi-symmetry structure of CCl_4 molecular assemblies in a graphitic nanopore : a grand canonical Monte Carlo simulation"Langmuir. 15. 5870-5875 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] M.Aoshima, T.Suzuki, K.Kaneko: "Molecular association-mediated micropore filling of supercritical Xe in a graphite slit pore by grand canonical Monte Carlo simulation"Chem.Phys.Lett.. 310. 1-7 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] T.Ohkubo, T.Iiyama, T.Suzuki, K.Kaneko: "Confined state of alcohol in carbon micropores as revealed by in situ X-ray diffraction"Studies in Surface Science and Catalysis. 128. 411-419 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] T.Suzuki, R.Kobori, K.Kaneko: "Grand canonical Monte Carlo simulation-assisted pore-width determination of molecular sieve carbon by ambient temperature N_2 adsorption"Carbon. 38. 630-633 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] M.Aoshima, T.Suzuki, and K.Kaneko: "Stabilized cluster formation of supercritical Xe in carbon nanopores"Studies in Surface Science and Catalysis. 129. 711-720 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] T.Suzuki,T.Iiyama,K.E.Gubbins,and K.Kanedo: "Quasi-symmetry structure of CCl_4 molecular assemblies in a graphitic nanopore : a grand canonical Monte Carlo simulation;"Langmuir. 15. 5870-5875 (1999)

    • Related Report
      2000 Annual Research Report
  • [Publications] T.Ohkubo,T.Iiyama,T.Suzuki,and K.Kaneko: "Confined state of alcohol in carbon micropores as revealed by in situ X-ray"diffraction Studies in Surface Science and Catalysis. 128. 411-419 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] T.Suzuki,R.Kobori,and K.Kaneko: "Grand canonical Monte Carlo simulation-assisted pore-width determination of molecular sieve carbon by ambient temperature N_2 adsorption"Carbon. 38. 630-633 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] M.Aoshima,T.Suzuki,and K.Kaneko: "Stabilized cluster formation of supercritical Xe in carbon nanopores;"Studies in Surface Science and Catalysis. 129. 711-720 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] 立本英機,安部郁夫 編: "活性炭の応用技術-その維持管理と問題点"テクノシステム. 6 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] T. Suzuki, T. Iiyama, K.E. Gubbins and K. Kaneno: "Quasi-Simmetry Structure of CCl_4 Molecular Assemblies in a Graphitic Nanopore: A Grand Canonical Monte Carlo Simulation"Langmuir. 15-18. 5870-5875 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] T. Suzuki, R. Kobori and K. Kaneko: "Grand Canonical Monte Carlo Simulation-Assisted Pore-Width Determination of Molecular Sieve Carbon"Carbon. (印刷中). (2000)

    • Related Report
      1999 Annual Research Report

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Published: 1999-04-01   Modified: 2016-04-21  

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