Controlling the sequences of monomers within a synthetic copolymer remains an elusive goal. Although a polymer’s sequence largely determines its function, we do not yet fully understand the determinants of and variations within copolymer sequences, even in a simple, step-growth reaction. Here, we use numerical simulations to model an irreversible step-growth copolymerization between two generic comonomers, A and B, in solution to probe the influence of various factors on sequence. Results show that even weakly differing attractions among the monomers can significantly influence the sequential arrangement of monomers in the resulting copolymers. Although the observed effects fall outside conventional copolymerization theories, the results can be explained by the aggregation of nascent chains coupled with a phase separation between A-rich and B-rich segments. In addition, we demonstrate how geometric effects, such as chain stiffness and anisotropic interactions, can also influence the resulting copolymer sequences.<br/>

Modeling the influence of emergent behaviors among nascent oligomers on step-grown copolymer sequences

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.