Elucidation of molecular mixing state in a nanospace by the small and middle angle X-ray scattering and reverse Monte Carlo method

• Project/Area Number: 19685002
• Research Category: Grant-in-Aid for Young Scientists (A)
• Allocation Type: Single-year Grants
• Research Field: Physical chemistry
• Research Institution: Shinshu University
• Principal Investigator: IIYAMA Taku Shinshu University, 理学部, 准教授 (30313828)
• Project Period (FY): 2007 – 2009
• Project Status: Completed (Fiscal Year 2009)
• Budget Amount: ¥24,960,000 (Direct Cost: ¥19,200,000、Indirect Cost: ¥5,760,000); Fiscal Year 2009: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000); Fiscal Year 2008: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000); Fiscal Year 2007: ¥19,760,000 (Direct Cost: ¥15,200,000、Indirect Cost: ¥4,560,000)
• Keywords: ナノ空間 / クラスター / 分子混合 / X線回折 / X線小角散乱 / リバースモンテカルロ / 多孔性固体 / ゆらぎ

Research Abstract

The purpose of this theme is the establishment of measurement and analysis methods of the molecular mixing state in the micropore of various porous solids. X-ray small angle scattering and X-ray diffraction are used as the experimental investigation and reverse Monte Carlo method is used as the analysis method of the micro molecular mixing. X-ray measurement system was optimized to the in situ measurement of adsorption state using parallel incident beam and transmission geometry. This apparatus and analysis method were applied to the some adsorption system such as the activated carbon-sulfate acid-water system. We found the characteristic features of molecules in the micropore such as the formation of the "hydration cluster" which is the cooperative behavior of sulfate ion and water molecules in the micropore. The microscopic description method of molecular mixing state was improved by this study, both of experimental and analysis procedures.

Research Products

• [Journal Article] Direct determination of intermolecular structure of ethanol adsorbed in micropores using X-ray diffraction and reverse Monte Carlo analysis (2009)
  • Author(s): Taku Iiyama, Kousuke Hagi, Takafumi Urushibara, Sumio Ozeki
  • Journal Title: Collids and Surfaces A 347 Pages: 133-141
  • NAID: 120007114289
  • Peer Reviewed
• [Journal Article] Direct determination of intermolecular structure of ethanol adsorbed in micropores using X-ray diffraction and reverse Monte Carlo analysis (2009)
  • Author(s): Taku Iiyama, Kousuke Hagi, Takafumi Urushibara, Sumio Ozeki
  • Journal Title: Colloids and Surfaces A 347 Pages: 133-141
  • NAID: 120007114289
  • Peer Reviewed
• [Presentation] 疎水性微小空間中の水の水素結合ネットワーク構造 (2010)
  • Author(s): 飯山拓, 二村竜祐, 藤崎布美佳, 浜崎亜富, 尾関寿美男, 星川晃範, 石垣徹
  • Organizer: 日本化学会第90春季年会
  • Place of Presentation: 関西学院大学
  • Year and Date: 2010-03-29
• [Presentation] カーボンナノ空間に閉じ込められた水溶液に対するX線散乱法からのアプローチ (2009)
  • Author(s): 二村竜祐, 飯山拓, 浜崎亜富, 尾関寿美男
  • Organizer: 第23回日本吸着学会研究発表会
  • Place of Presentation: 豊橋技術科学大学
  • Year and Date: 2009-11-28
• [Presentation] カーボンナノ空間中の有機電解質溶液の構造 (2009)
  • Author(s): 田中亜季実, 大場友則, 加納博文, 飯山拓, 尾関寿美男, 金子克美
  • Organizer: 第23回日本吸着学会研究発表会
  • Place of Presentation: 豊橋技術科学大学
  • Year and Date: 2009-11-27
• [Presentation] リバースモンテカルロ法によるゼオライトの細孔内吸着分子間構造の解明 (2009)
  • Author(s): 清家敦子, 飯山拓, 山崎誠志, 浜崎亜富, 尾関寿美男
  • Organizer: 第62回コロイドおよび界面化学討論会
  • Place of Presentation: 岡山理科大学
  • Year and Date: 2009-09-19
• [Presentation] カーボンミクロ細孔中におけるナノ硫酸水溶液のXRD及びSAXSによる構造解析 (2009)
  • Author(s): 二村竜祐, 飯山拓, 浜崎亜富, 尾関寿美男
  • Organizer: 日本化学会第89春季年会
  • Place of Presentation: 船橋
  • Year and Date: 2009-03-29
• [Presentation] リバースモンテカルロ法による細孔内吸着分子構造の解明 (2009)
  • Author(s): 清家敦子, 飯山拓, 尾関寿美男
  • Organizer: 日本化学会第89春季年会
  • Place of Presentation: 船橋
  • Year and Date: 2009-03-29
• [Presentation] 吸着相のリバースモンテカルロシミュレーションにおける細孔モデルの構築 (2008)
  • Author(s): 清家敦子, 飯山拓, 尾関寿美男
  • Organizer: 第22回日本吸着学会研究発表会
  • Place of Presentation: 福岡
  • Year and Date: 2008-10-24
• [Presentation] ナノ空間における硫酸塩水溶液の構造解析 (2008)
  • Author(s): 二村竜祐, 飯山拓, 尾関寿美男
  • Organizer: 第61回コロイドおよび界面化学討論会
  • Place of Presentation: 福岡
  • Year and Date: 2008-09-08
• [Presentation] X-ray diffraction and reverse Monte Carlo technique study of multi-component adsorption on carbon micropore (2008)
  • Author(s): 飯山拓, 二村竜祐, 尾関寿美男
  • Organizer: Symposium on Future Challenges for Carbon-Based Nanoporous Materials
  • Place of Presentation: 千葉
  • Year and Date: 2008-07-11
• [Presentation] The Determination of Intermolecular Structure of Adsorbed Phase in the Micropore by X-ray techniques and Reverse Monte Carlo Method (2008)
  • Author(s): 飯山拓, 羽木孝輔, 清家敦子, 浅見圭一, 清水篤史, 尾関寿美男
  • Organizer: 8th International Symposium on the Characterisation of Porous Solids
  • Place of Presentation: イギリス・エジンバラ
  • Year and Date: 2008-06-11
• [Presentation] Molecular Modeling of Activated Carbons for The Reverse Monte Carlo Method of Adsorbed Phase (2008)
  • Author(s): 清家敦子, 飯山拓, 尾関寿美男
  • Organizer: 8th International Symposium on the Characterisation of Porous Solids
  • Place of Presentation: イギリス・エジンバラ
  • Year and Date: 2008-06-11
• [Presentation] The Direct Determination of Intermolecular Structure of Pollutants in Micropore Using in situ X-Ray Diffraction (2008)
  • Author(s): 飯山拓, 尾関寿美男
  • Organizer: 5th International Conference Interfaces Against Pollution 2008
  • Place of Presentation: 京都
  • Year and Date: 2008-06-02
• [Presentation] カーボンミクロ細孔中の硫酸ナノ水溶液の構造解析 (2008)
  • Author(s): 二村竜祐, 飯山拓, 尾関寿美男
  • Organizer: 日本化学会第88春季年会
  • Place of Presentation: 東京
  • Year and Date: 2008-03-28
• [Presentation] 細孔内吸着分子集団の構造解析～実験でつなぐ吸着現象のミクロとマクロ (2007)
  • Author(s): 飯山拓
  • Organizer: 第21回日本吸着学会研究発表会
  • Place of Presentation: 東京
  • Year and Date: 2007-09-28
• [Presentation] 細孔内吸着分子集団の構造解析〜実験でつなぐ吸着現象のミグロとマクロ (2007)
  • Author(s): 飯山 拓
  • Organizer: 第21回日本吸着学会研究発表会
  • Place of Presentation: 東京
  • Year and Date: 2007-09-28
• [Presentation] X線による微小空間中での硫酸水和構造の検討 (2007)
  • Author(s): 二村竜祐, 飯山拓, 尾関寿美男
  • Organizer: 第21回日本吸着学会研究発表会
  • Place of Presentation: 東京
  • Year and Date: 2007-09-27
• [Presentation] 二酸化炭素の活性炭細孔内における吸着構造の解明 (2007)
  • Author(s): 羽木孝輔, 飯山拓, 尾関寿美男
  • Organizer: 第60回コロイドおよび界面化学討論会
  • Place of Presentation: 松本
  • Year and Date: 2007-09-22
• [Presentation] カーボンミクロ孔中での硫酸イオンの水和構造の検討 (2007)
  • Author(s): 二村竜祐, 飯山拓, 尾関寿美男
  • Organizer: 第60回コロイドおよび界面化学討論会
  • Place of Presentation: 松本
  • Year and Date: 2007-09-22
• [Presentation] 制限空間内におけるエタノール分子の水素結合構造および相転移現象 (2007)
  • Author(s): 飯山拓, 羽木孝輔, 浅見圭一, 清水篤史, 尾関寿美男
  • Organizer: 第60回コロイドおよび界面化学討論会
  • Place of Presentation: 松本
  • Year and Date: 2007-09-21
• [Presentation] Intermolecular structure and phase transition phenomena of 1-dimensional hydrogen bonding liquids in carbon micropores (2007)
  • Author(s): 飯山拓, 羽木孝輔, 浅見圭一, 清水篤史, 尾関寿美男
  • Organizer: 9th International Conference on Fundamentals of Adsorption
  • Place of Presentation: イタリア・ナクソス
  • Year and Date: 2007-05-22