Morphology and Conformation of Catenanes in Dilute Solutions

We present analysis of the structure and dynamics of catenanes in solution through molecular dynamics simulation. Pure poly(ethylene oxide) (PEO), pure polystyrene (PS) and diblocks of PEO and PS catenanes in a select group of solvents are examined. Morphology analysis was performed upon immersion of individual polymers in their respective good solvents. The behavior of the diblock at the interface of two immiscible solvents provided additional morphological understanding. Furthermore, the orientation and position of the catenane rings with respect to each other are characterized in detail. The observed morphological and conformational properties were found to admit a molecular weight influence.