Monte Carlo Studies of Model Systems of Rodlike Molecules with Partially Flexible Terminal Groups and/or with Side Groups

Abstract

The results of Monte Carlo simulations performed for model systems of rodlike molecules are compared with those of the same rodlike molecules with semiflexible end groups and/or with side groups. The presence of side groups perturbs the packing of the rigid cores and lowers the nematic/isotropic transition temperature. This effect is higher when the side groups are more exposed.

Key Words:

• simulation
• liquid crystals
• terminal groups
• side groups