Self-Assembly of Computationally Designed Amphiphilic Block copolymers in Solution*

Computationally designed amphiphilic poly(d-glucose carbonate),PGC, block copolymers (BCP) with targeted block compositions and chain lengths are assembled into various nanostructures as determined by the simulation studies. Based upon previous studies on kinetically trapped BCP structures, we first explore the bulk solution assembly behavior of PGCs using a range of solvent mixtures. Then we further tailor the kinetic pathway by introducing a simulation-guided parameter such as interfaces. We take advantage of the dynamic interaction changes between the polymer nanoparticles and the surface in response to a changed solution environment i.e. solvent quality or pH to induce the subsequent chain rearrangement of the adsorbed polymer nanoparticles. These assembled nanostructures with morphologies that are highly dependent on the surface and polymer chemistry, and solution environment, allow us to explore a variety of novel structures. We control the assembly parameters by adjusting solvent compositions and conditions with time as well as by using surface-treated silicon wafer or mica as a substrate. Both cryogenic-TEM and liquid AFM are used to monitor the assembled structure formation in-situ.