Modeling of system that based on nematic liquid crystals, double wall carbon nanotube and fullerene molecules C60

Abstract

The paper presents the results of computer simulation of the behavior of nematic liquid crystals in the presence of fullerene molecules and a double wall carbon nanotube. 10 cases of arrangement of system components relative to each other were investigated. Arylpropargyl esters of phenols were used as nematic liquid crystals. It is shown that polarity complicates the processes taking place in the system. It was found that the temperature dependences of the information entropy of the liquid crystals correlate with a change in the orderliness of these compounds. It was found that the arrangement of fullerene molecules at the ends of carbon nanotubes leads to a decrease in the orderliness of the liquid crystals.