Synergistic effect of tannic acid/stearic acid/calcium carbonate/recycled polypropylene polymer composites and molecular dynamics simulation study

Abstract Developing high‐toughness recycled polypropylene (REPP) composites using non‐polluting and cost‐effective methods remains a major challenge. In this study, we propose a novel modification scheme using tannic acid (TA)/stearic acid (SA) synergistically modified CC as a filler to prepare composites by blending with REPP. Characterizations, such as mechanical tests and thermodynamic tests, verified that the CC‐TA‐SA modified composites presented higher tensile and impact strengths as well as crystallinity. The tensile strength of the composites was increased from 27.44 to 30.53 MPa and similarly the impact strength was increased from 10.63 to 24.81 MPa. The thermal stability and melt fluidity of the modified composites also improved. This phenomenon is further investigated through the use of molecular dynamics (MD) simulations. This research expands the promise of REPP composites for industrial applications with stringent toughness requirements. Highlights Tannic/stearic acids modulate the surface properties of calcium carbonate. Polymer composite reinforced with synergistically modified calcium carbonate. Molecular dynamics simulations to predict composite properties.