The flow properties of fluids confined within nanoscale pores have been investigated. This
study attempts to increase the understanding of some of the factors which affect flow over
amorphous surfaces. Direct comparisons are made between experimental data and theoretical
systems. Equilibrium and non-equilibrium methods are used to calculate the slip coefficient and
a relaxation time, which is related to the interfacial friction. This is shown to be a simple and
reliable way of predicting flow behaviour across a wide range of systems with different structures.
Other methods, such as those based on Maxwell’s model, are found to be less reliable in systems
with very rough surfaces.
Enhanced flow rates, as found in some experimental systems, would have enormous benefits in a
nanofluidic device. The flow dynamics in a variety of systems with different surface roughnesses
and chemical compositions have been determined. The flow of water and decane fluids over a
variety of carbon surfaces have been studied. Flow over PDMS surfaces with varying levels of
oxidation has also been analysed. Enhancements are found to be lower than those predicted
experimentally.
There is a wide interest in the effects of inhalation of nanoparticles on lung tissues. In this work,
the interactions of several environmentally interesting nanoparticles (fullerenes and titanium
dioxide) with a model lung membrane have been simulated. The trajectories and interactions
of the nanoparticles with the membranes are studied. Hydrophobic particles are found to sit
amongst the lipid tails, hydrophillic particles nearer the water/lipid interface. Although no
particles are found to cross freely into the water layer, an interesting effect is noted whereby water
molecules are seen to leave the water phase of the membrane and coat the surface of hydrophilic
nanoparticles. For the largest nanoparticles this creates a bridge across the membrane from the
water phase to the vacuum.