Experimental & Modelling Digital Twin Approach for Polymer Synthesis via Re-initiated Oxygen inhibited RAFT Polymerization

Abstract

Controlled polymerization techniques like the reversible-addition fragmentation chain transfer polymerization (RAFT) are sensitive to impurities such as oxygen. This work explores the application of re-initiation as a tool to enhance monomer conversion. A kinetic model for the oxygen inhibited RAFT dispersion polymerization for the synthesis of poly(4-vinylpyridine)-b-polystyrene (P4VP-b-PS) is developed. Thus, using the kinetic model, the re-initiation of the inhibited RAFT polymerization is partially (monomer conversion ≤10%) predicted. By implementing the re-initiation as a solution, the synthesis of P4VP-b-PS copolymers with the high conversion (>96%) and a good dispersity (≤1.2) is enabled.