Modeling of interaction of chiral mesogen with carbon nanotube

The possibility of supramolecular organization modeling of a cholesteric liquid crystalline (ChLC) matrix was shown by molecular dynamics simulation using the all-atom model. The supramolecular organization of ChLC mesogen and ChLC - a single walled carbon nanotube composite was estimated and 3D-model of a cholesteric phase of the studied compound was obtained. The effect of a carbon nanotube on the order parameter of ChLC molecules in the cholesteric phase was determined.