Mechanisms of water infiltration into conical hydrophobic nanopores
نویسندگان
چکیده
منابع مشابه
Mechanisms of water infiltration into conical hydrophobic nanopores.
Fluid channels with inclined solid walls (e.g. cone- and slit-shaped pores) have wide and promising applications in micro- and nano-engineering and science. In this paper, we use molecular dynamics (MD) simulations to investigate the mechanisms of water infiltration (adsorption) into cone-shaped nanopores made of a hydrophobic graphene sheet. When the apex angle is relatively small, an external...
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Understanding the variation of nanofluidic behavior in the presence of an external electric field is critical for controlling and designing nanofluidic devices. By studying the critical infiltration pressure of liquids into hydrophobic nanopores using molecular dynamics (MD) simulations and experiments, important insights can be gained on the variation of the effective liquid-solid interfacial ...
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Molecular dynamics simulations for a thin film of water confined to a slit nanopore are performed in order to investigate the dynamic process of crystallization of the system. The system upon freezing creates a bilayer ice crystal composed of two layers of hexagonal rings. We perform one simulation at T=257 K during which the system remains a supercooled liquid state, and another one at T=253 K...
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Water plays a key role in biological membrane transport. In ion channels and water-conducting pores (aquaporins), one-dimensional confinement in conjunction with strong surface effects changes the physical behavior of water. In molecular dynamics simulations of water in short (0.8 nm) hydrophobic pores the water density in the pore fluctuates on a nanosecond time scale. In long simulations (460...
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Heterogeneous systems composed of hydrophobic nanoporous materials and water are capable, depending on their characteristics, of efficiently dissipating (dampers) or storing ("molecular springs") energy. However, it is difficult to predict their properties based on macroscopic theories-classical capillarity for intrusion and classical nucleation theory (CNT) for extrusion-because of the peculia...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2009
ISSN: 1463-9076,1463-9084
DOI: 10.1039/b905641f