Investigate Molecular Bottlebrush Conformation and Aggregation Status Under Different Solvent Quality

Molecular bottlebrushes (MBBs) could be used as enzyme stabilizer, oil-repellent film modifier, polymer blend compatibilizer and so on. The implementation of these applications is owing to the control of MBB aggregation process and cluster morphologies. In this work, we focused on the effects of solvent quality on the aggregation process of MBBs. With Dissipative Particle Dynamics approach, we characterize the conformations of the MBBs in the limit of infinite dilution (single MBB) and average size of agglomerates containing multiple MBBs in solutions. We compare the conformation and aggregation status and probe three cut-off criteria used to identify MBB clusters. Using these criteria allows one to correlate the agglomeration status of MBB in various solvent qualities.