Abstract:
This work presents the results of experiments on computer modeling of behaviour of clusters consisting of nematic liquid crystals on the basis of the arylpropargyl ethers of phenols (APEP) with the help of GROMACS programme and of them IR absorption spectrum. It shows the influence of fluorine atom on properties which happen as a result of temperature annealing to the processes of disordering. The given experiments demonstrate the necessity of a correct choice of interaction between molecules. The influence of location of molecules at the initial state to the behaviour dynamics was found.
