Toward Olefin Multiblock Copolymers with Tailored Properties: A Molecular Perspective

Abstract Recent progress in macromolecular reaction engineering has enabled the synthesis of sequence‐controlled polymers. The advent olefin block copolymers (OBCs) via chain shuttling polymerization ethylene with α‐olefins opened new horizons for polyolefins having a dual character thermoplastics and elastomers. Nevertheless, use two catalysts different comonomer selectivities agent, dragging dropping live chains between active catalyst centers, made precise tailoring OBCs microstructure containing hard soft units feasible challenge. This work discusses possibility predicting properties from its simulated molecular patterns. microstructural characteristics are discussed terms topology‐related property‐related features. An intelligent tool, which combines benefits kinetic Monte Carlo simulation artificial neural network modeling, is used to explore connection recipe (catalyst composition, 1‐octene monomer ratio, agent level) as well target reflected percent, number copolymer chains, longest sequence length segments.