Exploring temperature effects on compatibility in <scp>PS</scp> ‐ <i>b</i> ‐ <scp>PI</scp> ‐ <i>b</i> ‐ <scp>PS</scp> block copolymer‐based blends through experimental and molecular dynamics simulation approaches

Abstract The poly(styrene‐ block ‐isoprene‐ block ‐styrene) (PS‐ b ‐PI‐ b ‐PS) block copolymer is known for its self‐assembly characteristics and dual structure that combines rubber and thermoplastic materials. Conventionally, blends of block copolymers are fabricated using the melt blending method, a process that requires high temperatures. This study introduces an energy‐efficient solution blending method to enhance the compatibility between PS‐ b ‐PI‐ b ‐PS and natural rubber (NR) latex. NR latex was blended with PS‐ b ‐PI‐ b ‐PS in toluene at temperatures of 80, 100, 120, and 150°C and cast to form films. The solution‐blended film prepared at a moderate temperature of 120°C exhibited a maximum tensile strength of 9.48 MPa and was thermally degraded at higher temperature (382°C) than those produced by melt blending. The solution blending method also reduced the surface roughness and the particle size to between 7 and 500 nm and improved the interfacial adhesion in SB‐120°C blend compared to MB‐180°C blend. Molecular dynamics simulations indicated that the improved mechanical performance of the blend was primarily due to enhanced intramolecular bonding, with a maximized bond energy of 20,133 kcal/mol. This work demonstrates an energy‐efficient method with lower processing temperature for preparing polymer blends with improved compatibility suitable for various nanotechnology and engineering applications. Highlights Solution blending method improves the compatibility. Tensile strength and interfacial adhesion of the polymer blend improved. Solution blending reduces the particle size and surface roughness. Simulation shows an increase in intramolecular bond energy.