In this work we study the reinforcement of polymers by mechanically
interlocked derivatives of single-walled carbon nanotubes (SWNTs). We compare
the mechanical properties of fibers made of polymers and of composites with
pristine single-walled carbon nanotubes (SWNTs), mechanically interlocked
derivatives of SWNTs (MINTs) and the corresponding supramolecular models.
Improvements of both Young's modulus and tensile strength of up to 200 % were
observed for the polystyrene-MINTs samples with an optimized loading of just
0.01 wt.%, while the supramolecular models with identical chemical composition
and loading showed negligible or even detrimental influence. This behavior is
found for three different types of SWNTs and two types of macrocycles.
Molecular dynamics simulations show that the polymer adopts an elongated
conformation parallel to the SWNT when interacting with MINT fillers,
irrespective of the macrocycle chemical nature, whereas a more globular
structure is taken upon facing with either pristine SWNTs or supramolecular
models. The MINT composite architecture thus leads to a more efficient
exploitation of the axial properties of the SWNTs and of the polymer chain at
the interface, in agreement with experimental results. Our findings demonstrate
that the mechanical bond imparts distinctive advantageous properties to SWNT
derivatives as polymer fillers.Comment: 39 pages, 19 figure