Molecular mechanism for confined liquid in slit and tube pores
Project/Area Number |
24360084
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Research Category |
Grant-in-Aid for Scientific Research (B)
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Allocation Type | Partial Multi-year Fund |
Section | 一般 |
Research Field |
Thermal engineering
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Research Institution | Keio University |
Principal Investigator |
YASUOKA Kenji 慶應義塾大学, 理工学部, 教授 (40306874)
|
Project Period (FY) |
2012-04-01 – 2015-03-31
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Project Status |
Completed (Fiscal Year 2014)
|
Budget Amount *help |
¥18,200,000 (Direct Cost: ¥14,000,000、Indirect Cost: ¥4,200,000)
Fiscal Year 2014: ¥6,240,000 (Direct Cost: ¥4,800,000、Indirect Cost: ¥1,440,000)
Fiscal Year 2013: ¥6,890,000 (Direct Cost: ¥5,300,000、Indirect Cost: ¥1,590,000)
Fiscal Year 2012: ¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
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Keywords | 分子シミュレーション / スリット型細孔 / チューブ型細孔 / 相転移 / 相図 / 分子動力学 / スリット型 / チューブ型 / 細孔 / スリット / チューブ / シミュレーション |
Outline of Final Research Achievements |
Confined liquid in nanoscale slit and tube pores is ubiquitous in nature, for example, in biological cell systems minerals, and microporous materials. In this study we applied molecular simulation methods to clarify the phase diagram in slit and tube pores. Isobaric-multithermal, multibaric-isothermal, multibaric-multithermal methods were adopted.
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Report
(4 results)
Research Products
(16 results)
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[Presentation] Free energy surface of Water Confined in Slit Pores2014
Author(s)
Kaneko, T., Bai, J., Yasuoka, K., Mitsutake, A. and Zeng, X. C.
Organizer
International Symposium on Extended Molecular Dynamics and Enhanced Sampling:Nose Dynamics 30 Years (NOSE30)
Place of Presentation
慶應義塾大学三田キャンパス(東京都・港区)
Year and Date
2014-11-10 – 2014-11-11
Related Report
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