裂形纳米孔内部的流体流动:在分子尺度上表面形态的作用
Giorgia Marcelli1, Tecla Bottinelli Montandon1, Roya Ebrahimi Viand1
1Freie Universität Berlin, Fachbereich Mathematik und Informatik, Arnimallee 6, 14195 Berlin, Germany.
The Journal of chemical physics
|March 10, 2025
概括
表面形态控制纳米尺度的流体流动,纳米孔中的滑动长度. 分子动力学模拟显示,定制的孔壁可以实现无滑动条件,影响流体行为和有效粘度.
科学领域:
- 流体动力学 流体动力学
- 在纳米尺度科学科学.
- 计算物理学的计算物理.
背景情况:
- 经典流体力学假定无滑边界条件.
- 纳米尺度的流体流向表现出与宏观行为的偏差.
- 表面特性显著影响纳米尺度的流量.
研究的目的:
- 研究表面形态对纳米孔中的流体滑动的影响.
- 量化不同孔壁结构的滑动长度和水力动力学透性.
- 在有限的纳米级流中分析有效的粘度和温度概况.
主要方法:
- 非平衡分子动力学 (NEMD) 模拟.
- 使用类似的机制进行边界驱动,节能的模拟.
- 分析流体速度配置和温度梯度的分析.
主要成果:
- 表面形态有效控制滑动的长度,使接近零的滑动与匹配的结构.
- 根据孔壁类型观察到部分滑动和不滑动行为.
- 封闭导致有效粘度低于散装值,在更宽的孔隙中交叉.
- 沿流的线性温度增加是由于粘性消散和热对流.
结论:
- 定制表面形态是控制纳米级流体滑动的关键.
- 分子尺度模拟对于纳米孔状材料中精确的流体动力学至关重要.
- 这些发现挑战了普遍的相关性,并强调了需要详细建模的需要.
相关概念视频
Fluid Mosaic Model
The fluid mosaic model was first proposed as a visual representation of research observations. The model comprises the composition and dynamics of membranes and serves as a foundation for future membrane-related studies. The model depicts the structure of the plasma membrane with a variety of components, which include phospholipids, proteins, and carbohydrates. These integral molecules are loosely bound, defining the cell’s border and providing fluidity for optimal function.LipidsThe most...
Surface Tension, Capillary Action, and Viscosity
Surface Tension
The various IMFs between identical molecules of a substance are examples of cohesive forces. The molecules within a liquid are surrounded by other molecules and are attracted equally in all directions by the cohesive forces within the liquid. However, the molecules on the surface of a liquid are attracted only by about one-half as many molecules. Because of the unbalanced molecular attractions on the surface molecules, liquids contract to form a shape that minimizes the number...
The various IMFs between identical molecules of a substance are examples of cohesive forces. The molecules within a liquid are surrounded by other molecules and are attracted equally in all directions by the cohesive forces within the liquid. However, the molecules on the surface of a liquid are attracted only by about one-half as many molecules. Because of the unbalanced molecular attractions on the surface molecules, liquids contract to form a shape that minimizes the number...
Membrane Fluidity
Membrane fluidity is explained by the fluid mosaic model of the cell membrane, which describes the plasma membrane structure as a mosaic of components—including phospholipids, cholesterol, proteins, and carbohydrates—that gives the membrane a fluid character.
Mosaic nature of the membrane
The mosaic characteristic of the membrane helps the plasma membrane remain fluid. The integral proteins and lipids exist as separate but loosely-attached molecules in the membrane. The membrane is a relatively...
Mosaic nature of the membrane
The mosaic characteristic of the membrane helps the plasma membrane remain fluid. The integral proteins and lipids exist as separate but loosely-attached molecules in the membrane. The membrane is a relatively...
Characteristics of Fluids
Fluids differ from solids primarily in their molecular structure and stress response. Solids have tightly packed molecules with strong intermolecular forces, maintaining their shape and resisting deformation. In contrast, fluids have molecules spaced farther apart with weaker forces, allowing them to flow and deform easily.
Fluids, which include both liquids and gases, are substances that deform continuously under shearing stress. For example, water and oil are liquids with molecules that can...
Fluids, which include both liquids and gases, are substances that deform continuously under shearing stress. For example, water and oil are liquids with molecules that can...
Surface Tension of Fluid
Surface tension is a fundamental property of fluids, occurring at the boundary between a liquid and a gas or between two immiscible liquids. This phenomenon arises from the cohesive forces between molecules at the fluid's surface, creating an effect similar to a stretched elastic membrane. Inside each fluid, molecules are equally attracted in all directions by neighboring molecules, but surface molecules experience a net inward force, resulting in surface tension.
Surface tension varies with...
Surface tension varies with...
Capillarity in Fluid
Capillarity describes the movement of liquid in small spaces without external forces acting on it. The capillarity is driven by surface tension and adhesive interactions between the liquid and surrounding solid surfaces. This effect is often seen in narrow tubes, porous materials, and fine particles.
Surface tension is crucial to capillarity. It results from cohesive forces between liquid molecules at the liquid-air boundary, forming a skin that resists external forces. When the capillary tube...
Surface tension is crucial to capillarity. It results from cohesive forces between liquid molecules at the liquid-air boundary, forming a skin that resists external forces. When the capillary tube...


