Phase transitions of inhomogeneous liquids in pores or at interfaces

孔隙或界面处不均匀液体的相变

• 批准号: 20550017
• 负责人: KOGA Kenichiro
• 金额: $ 3.16万
• 依托单位: Okayama University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2008
• 资助国家: 日本
• 起止时间: 2008 至 2010
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-20550017/
• 关键词: 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

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.

限制在狭窄孔隙中的液体（例如，碳纳米管中的水，介孔材料中的氧等）和界面上的流体（例如，油和水之间的界面）表现出相变或复杂的相行为，这在整体流体相中是永远不会观察到的。我们理论研究的一个目标是提取和理解受限流体和界面流体的一些基本性质。统计力学和计算机模拟是研究这些问题的工具。通过这些方法，我们发现了决定纳米孔中氩气相行为的几个关键因素，并在标准平均场密度泛函模型中揭示了四种润湿转变。

项目成果

Augmented stability of hydrogen clathrate hydrates by weakly polar molecules.

• DOI: 10.1063/1.3271341
• 发表时间: 2009-12
• 期刊: The Journal of chemical physics
• 作者: Takato Nakayama;K. Koga;Hideki Tanaka

A plastic phase of water from computer simulation

• DOI: 10.1063/1.2927255
• 发表时间: 2008-05-28
• 期刊: JOURNAL OF CHEMICAL PHYSICS
• 影响因子: 4.4
• 作者: Takii, Yoshio;Koga, Kenichiro;Tanaka, Hideki
• 通讯作者: Tanaka, Hideki

Infinite-Order Transitions in Density-Functional Models of Wetting

• DOI: 10.1103/physrevlett.104.036101
• 发表时间: 2010-01-22
• 期刊: PHYSICAL REVIEW LETTERS
• 影响因子: 8.6
• 作者: Koga, K.;Indekeu, J. O.;Widom, B.
• 通讯作者: Widom, B.

濡れ転移近傍における線張力

润湿过渡附近的线张力

• 发表时间: 2008
• 作者: 甲賀研一郎;B.Widom;J.O.Indekeu;甲賀研一郎
• 通讯作者: 甲賀研一郎

Thermodynamic stability of hydrogen hydrates of ice Ic and II structures

• DOI: 10.1103/physrevb.82.144105
• 发表时间: 2010-10
• 期刊: Physical Review B
• 影响因子: 3.7
• 作者: L. Hakim;K. Koga;Hideki Tanaka