| 摘要(英) |
The Interface is the boundary of two incompatible material, and surfactant can change the property of interface. Strong competition between interface adsorption and bulk aggregation of surfactant in nanoscale systems was explored by Many-body Dissipative Particle Dynamics simulations. Moreover, the interface adsorption and bulk aggregation in nanoscale systems are investigated in liquid/vapor, solid/liquid and solid/liquid/vapor phases.
First of all, in the system of liquid/vapor phases, the size-dependent behavior including surface tension (, surface density (, and critical micelle concentration (CMC) was illustrated by considering a nanofilm with the thickness L. It is found that in nanoscale systems as the surfactant concentration increases, continues rising even after CMC is exceeded. The saturation level of is achieved only when the surfactant bulk concentration is over ten times of CMC. Moreover, both surface micelles formed by adsorbed surfactant and the sublayer below the adsorbed layer are clearly identified. The former can reduce the contacts of adsorbed surfactant with water, while the latter has the surfactant concentration significantly higher than that in bulk. The strong coupling between adsorption and micellization is attributed to large surface-to-volume ratio compared to macroscopic systems, and can be simply realized by the fact that the ratio of the numbers of surfactant distributed in bulk (nbulk) and at interface (nads) is always less than unity (nbulk/nads < 1) in nanoscale systems.
Besides, in the system of solid/liquid phases, the change of surfactant property would make significantly different results. Due to the majority of amount, the hydrophobic tail plays a more important role over the hydrophilic head. Nevertheless, despite the variation of the surfactant property in the system of solid/liquid/vapor phases, the liquid-vapor interface is always the priority for the surfactant to stay. However, the preference of the solid-liquid interface and bulk for surfactant would depend on its property.
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