Computer simulations of associating liquid crystals*

Liquid crystals possess a range of interesting properties and are actively used in various technological applications. Reversible association, such as hydrogen bonding or metal-ligand complexation can provide additional mechanisms to control their properties leading to new applications including responsive functional materials. We employ Monte Carlo simulations using a spherocylinder model to predict the phase diagram for formation of the different ordered liquid crystalline phases in the presence of reversible associations. In particular we investigate the inter-relation between the strength of reversible association and the aspect ratio of liquid crystalline mesogens. The effect of confinement on system behavior will be discussed we well.