| Project/Area Number |
25630070
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Multi-year Fund |
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| Research Field |
Thermal engineering
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| Research Institution | Keio University |
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Principal Investigator |
Yasuoka Kenji 慶應義塾大学, 理工学部, 教授 (40306874)
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| Project Period (FY) |
2013-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2015: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2014: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2013: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
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| Keywords | 分子動力学シミュレーション / 淡水化 / カーボンナノチューブ / アクアポリン / 分子動力学 / 水 / 水／メタノール混合系 / 水／エタノール混合系 / 分子シミュレーション / 揺らぎ / 電場 |
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| Outline of Final Research Achievements |
Aquaporins (AQPs), which transport water molecules across cell membranes, are involved in many physiological processes.Using all-atom molecular dynamics simulations, we analyze water transportation and fluctuations of amino acids within AQP1. The amino acids exhibit 1/f fluctuations, indicating possession of long-term memory. Moreover, we find that water molecules crossing the ar/R region obey a non-Poisson process.
Molecular dynamics simulations are performed to investigate the effect of an electric field on water-methanol separation by carbon nanotubes (CNTs) with diameters of 0.81 to 4.07 nm. Under an electric field, water molecules strongly prefer to occupy the CNTs over methanol molecules, resulting in a separation effect for water. More interestingly, the separation effect for water does not decrease with increasing CNT diameter. Formation of water structures in CNTs induced by an electric field has an important role in the separation of water from methanol.
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