Fluctuation and Chemical Reaction in Low-dimensional Condensed Phase

• Project/Area Number: 18066011
• Research Category: Grant-in-Aid for Scientific Research on Priority Areas
• Allocation Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: Okayama University
• Principal Investigator: TANAKA Hideki Okayama University, 大学院・自然科学研究科, 教授 (80197459)
• Co-Investigator(Kenkyū-buntansha): KOGA Kenichiro 岡山大学, 大学院・自然科学研究科, 教授 (10315020) ; MISHIMA Osamu 物質・材料研究機構, 物質研究所, 主席研究員 (10133141)
• Project Period (FY): 2006 – 2009
• Project Status: Completed (Fiscal Year 2009)
• Budget Amount: ¥41,300,000 (Direct Cost: ¥41,300,000); Fiscal Year 2009: ¥7,300,000 (Direct Cost: ¥7,300,000); Fiscal Year 2008: ¥14,700,000 (Direct Cost: ¥14,700,000); Fiscal Year 2007: ¥10,100,000 (Direct Cost: ¥10,100,000); Fiscal Year 2006: ¥9,200,000 (Direct Cost: ¥9,200,000)
• Keywords: 低次元 / 凝集系 / 水 / クラスレート / 水素 / 多重占有 / 熱力学的安定性 / 氷 / プラスチック相 / 制約空間 / 化学平衡

Research Abstract

Phase transitions and phase behaviors of water in confined spaces have been investigated with a statistical mechanical theory and molecular simulations. Examined are a phase behavior of water confined in quasi one dimensional spaces and the thermodynamic stability of clathrate hydrates containing hydrogen on the basis of a newly developed theory and simulation methods.

Research Products

• [Journal Article] Phase behavior of ices filled with hydrogen molecules (2010)
  • Author(s): L. Hakim, K. Koga, H. Tanaka
  • Journal Title: Phys. Rev. Lett 104
• [Journal Article] Phase Behavior of Different Forms of Ice Filled with Hydrogen Molecules (2010)
  • Author(s): L.Hakim, K.Koga, H.Tanaka
  • Journal Title: Phys.Rev.Lett. 104 Pages: 115701-115701
  • Peer Reviewed
• [Journal Article] Augmented stability of hydrogen clathrate hydrates by weakly polar molecules (2009)
  • Author(s): T. Nakayama, K. Koga, H. Tanaka
  • Journal Title: J. Chem. Phys. 131
• [Journal Article] Augmented stability of hydrogen clathrate hydrates by weakly polar molecules (2009)
  • Author(s): T.Nakayama, K.Koga, H.Tanaka
  • Journal Title: J.Chem.Phys. 131 Pages: 214506-214506
  • Peer Reviewed
• [Journal Article] Phase behavior and fluid-solid surface tension of argon in slit pores and carbon nanotubes (2009)
  • Author(s): Y.Hamada, K.Koga, H.Tanaka
  • Journal Title: Physica A 388 Pages: 22892298-22892298
  • Peer Reviewed
• [Journal Article] Phase diagram of water in carbon nanotubes (2008)
  • Author(s): D. Takaiwa, I. Hatano, K. Koga, H. Tanaka
  • Journal Title: Proc. Natl. Acad. Sci. USA 105 Pages: 39-43
• [Journal Article] A plastic phase of water from computer simulation (2008)
  • Author(s): Y. Takii, K. Koga, H. Tanaka
  • Journal Title: J. Chem. Phys. 128
• [Journal Article] Phase diagram of water in carbon nanotubes (2008)
  • Author(s): D.Takaiwa, I.Hatano, K.Koga, H.Tanaka
  • Journal Title: Proc.Natl.Acad.Sci.USA 105
  • Peer Reviewed
• [Journal Article] Aplastic phase of water from computer simulation (2008)
  • Author(s): Y.Takii, K.Koga, H.Tanaka
  • Journal Title: J.Chem.Phys. 128
  • Peer Reviewed
• [Journal Article] Phase diagram of water in carbon nanotubes (2008)
  • Author(s): D. Takaiwa, I. Hatano, K. Koga, and H.
  • Journal Title: Proc. Natl. Acad. Sci. USA 105 Pages: 39-43
  • Peer Reviewed
• [Journal Article] Mean-field density-functional model of a second-order wetting transition (2008)
  • Author(s): K. Koga and B. Widom
  • Journal Title: J. Chem. Phys. 128 Pages: 114716-114716
  • Peer Reviewed
• [Journal Article] A plastic phase of water from computer simulation (2008)
  • Author(s): Y. Takii, K. Koga, and H. Tanaka
  • Journal Title: J. Chem. Phys. 128 Pages: 204501-204501
  • Peer Reviewed
• [Journal Article] Phase diagram of water in carbon nanotubes (2008)
  • Author(s): D. Takaiwa, I. Hatario, K. Koga,
  • Journal Title: Proc. Natl. Acad. Sci. USA 105 Pages: 3943-3943
  • Peer Reviewed
• [Journal Article] On the thermodynamic stability of hydrogen clathrate hydrates (2007)
  • Author(s): K. Katsumasa, K. Koga, H. Tanaka
  • Journal Title: J. Chem. Phys. 127
  • NAID: 120002307046
• [Journal Article] structures of filled ice nanotubes inside carbon nanotubes (2007)
  • Author(s): D. Takaiwa, K. Koga, H. Tanaka
  • Journal Title: Mol. Simulat. 33 Pages: 127132-127132
  • Peer Reviewed
• [Journal Article] On the thermodynamic stability of hydrogen clathrate hydrates (2007)
  • Author(s): K. Katsumasa, K. Koga, H. Tana
  • Journal Title: J. Chem. Phys. 127,08490 Pages: 19-19
  • NAID: 120002307046
  • Peer Reviewed
• [Journal Article] Theoretical Studies on the Structure and Dynamics of Water, Ice, and Clathrate Hydrate (2006)
  • Author(s): H. Tanaka, K. Koga
  • Journal Title: Bull. Chem. Soc. Jpn. 79(Award Accounts) Pages: 1621-1644
  • NAID: 10019372693
• [Journal Article] Theoretical studies on the structure and dynamics of water, ice, and clathrate hydrate (2006)
  • Author(s): Hideki Tanaka
  • Journal Title: Bull.Chem.Soc.Jpn. 79 Pages: 1621-1644
  • NAID: 10019372693
• [Journal Article] Close-Packed structures and phase diagram of soft spheres in cylindrical pores (2006)
  • Author(s): Kenichiro Koga
  • Journal Title: J.Chem.Phys. 124
• [Journal Article] 微小空間内の水のふるまい (2006)
  • Author(s): 甲賀 研一郎
  • Journal Title: 現代化学 426 Pages: 24-30
• [Presentation] Augmented stability of hydrogen clathrate hydrates by weakly polar molecules (2010)
  • Author(s): H. Tanaka, T. Nakayama, K. Koga
  • Organizer: Symposium for Chemistry Between Okayama University and National Taipei University of Technology
  • Place of Presentation: Taipei Taiwan
  • Year and Date: 2010-03-15
• [Presentation] A plastic phase of water from computer simulation (2010)
  • Author(s): H. Tanaka, Y. Takii, K. Koga
  • Organizer: Symposium for Chemistry Between Okayama University and National Taiwan University.
  • Place of Presentation: Taipei Taiwan
  • Year and Date: 2010-03-12
• [Presentation] Thermodynamic stability of hydrogen clathrate hydrates(invited) (2009)
  • Author(s): H.Tanaka
  • Organizer: ACS national meeting
  • Place of Presentation: Salt Lake City USA
  • Year and Date: 2009-03-25
• [Presentation] Thermodynamic stability of hydrogen clathrate hydrates (2009)
  • Author(s): H. Tanaka
  • Organizer: 237th ACS National Meeting
  • Place of Presentation: Salt Lake City UT USA.
• [Presentation] Plastic phase of water under high pressure (2009)
  • Author(s): H. Tanaka, Y. Takii, K. Koga
  • Organizer: international symposium on Reaction Dynamics in Many-body Chemical Systems
  • Place of Presentation: Kyoto Japan
• [Presentation] Thermodynamic stability of hydrogen clathrate hydrates (2009)
  • Author(s): H.Tanaka
  • Organizer: 237th ACS National Meeting
  • Place of Presentation: Salt Lake City UT USA
• [Presentation] 極端条件下の水、氷、クラスレートの計算機シミュレーション(招待講演) (2008)
  • Author(s): 田中秀樹
  • Organizer: 第8回九州溶液化学懇談会
  • Place of Presentation: 福岡
  • Year and Date: 2008-08-19
• [Presentation] 極端条件下の水、氷、クラスレートの計算機シミュレーション (2008)
  • Author(s): 田中秀樹
  • Organizer: 第8回九州溶液化学懇談会
  • Place of Presentation: 福岡
  • Year and Date: 2008-08-19
• [Presentation] Structure and stability of hydrogen clathrate hydrates (2007)
  • Author(s): H. Tanaka
  • Organizer: The 3rd Asian Pacific Conference on Theoretical and Computational Chemistry
  • Place of Presentation: Beijing, China
• [Presentation] Formation of Ice Nanotubes with Hydrophobic Guests (2006)
  • Author(s): H. Tanaka
  • Organizer: THERMO INT'L '06
  • Place of Presentation: Boulder, USA
• [Book] 化学のブレークスルー (2010)
  • Author(s): 田中秀樹
  • Total Pages: 31
  • Publisher: 化学同人
• [Book] 物理化学の基礎の基礎 (2009)
  • Author(s): 田中秀樹
  • Publisher: 化学同人