The homogeneous dispersion of CNT within the epoxy matrix is a great challenge as CNT tends to agglomerate due to the strong
Van der Waals interactions between the CNT and the low viscosity of the matrix.
Covalent and noncovalent (hydrogen bonds and
van der Waals interactions) functionalizations play a principle role in the drug delivery systems.
The latter contains an empirical dispersion correction to the [omega] B97X functional, as this provides long-range
van der Waals interactions without additional computational cost.
To maintain the same environment CHARMM v27 force field was used along with a cutoff of 12 [Angstrom] for the
van der Waals interactions and short-ranged Coulombic interactions, while the particle-particle mesh Ewald method was used for the long-ranged Coulombic interactions.
The TE model also considers hydrodynamics and
van der Waals interactions in this regime (TUFENKJI; ELIMELECH, 2004) (JACOBS et al.
Because of their chemical makeup, both substances should have had similar degrees of
van der Waals interactions with the geckos' setae, and therefore the animals should have clung similarly to both surfaces, Izadi says.
The
van der Waals interactions are highlighted when the distances between the atoms are equal or 20% smaller than the sum of van der Waals radii.
The intermediate IN1 is formed when the sulfur atom bridged to the oxygen atoms of [O.sub.4] using the formation of four van der Waals bonds and rupture two [O.sub.2]-[O.sub.2]
van der Waals interactions in [O.sub.4] molecule.