Project/Area Number |
20550017
|
Research Category |
Grant-in-Aid for Scientific Research (C)
|
Allocation Type | Single-year Grants |
Section | 一般 |
Research Field |
Physical chemistry
|
Research Institution | Okayama University |
Principal Investigator |
KOGA Kenichiro Okayama University, 大学院・自然科学研究科, 教授 (10315020)
|
Co-Investigator(Renkei-kenkyūsha) |
WIDOM Benjamin Cornell University, 教授
JOSEPH O. INDEKEU Katholieke Universiteit Leuven, 教授
|
Project Period (FY) |
2008 – 2010
|
Project Status |
Completed (Fiscal Year 2010)
|
Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2010: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2009: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Fiscal Year 2008: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
|
Keywords | 液体 / 相転移 / 不均一系 / 細孔 / 界面 / 濡れ転移 / 疎水効果 / 溶媒和エントロピー / Lennard-Jones溶液 / 疎水性水和 / 水 / 包接水和物 / 水素 / 分子シミュレーション / 界面張力 / 吸着 / 氷 |
Research Abstract |
Liquids confined in narrow pores (e.g., water in carbon nanotubes, oxygen in meso-porous materials, etc) and fluids at interfaces (e.g., interfaces between oil and water) exhibit phase transitions or complex phase behavior that would never be observed for bulk fluid phases. A goal of our theoretical study is to extract and understand some fundamental properties in confined and interfacial fluids. Statistical mechanics and computer simulation are the tools to study these problems. With these approaches we found several key factors determining phase behavior of argon in nanopores and revealed four kinds of wetting transitions in a standard mean-filed density functional model.
|