Predicting the toughness of compatibilized polymer blends

Published

June 19, 2024

Author(s)

Robert Ivancic, Debra Audus

Abstract

Polymer blends can yield superior materials by merging the unique properties of their components. However, these mixtures often phase separate, leading to brittleness. While compatibilizers can toughen these blends, their vast design space makes optimization difficult. Here, we develop a model to predict the toughness of compatibilized glassy polymer mixtures. This theory reveals that compatibilizers increase blend toughness by creating molecular bridges that stitch the interface together. We validate this theory by directly comparing its predictions to extensive molecular dynamics simulations in which we vary polymer incompatibility, chain stiffness, compatibilizer areal density, and blockiness of copolymer compatibilizers. We then parameterize the model using self-consistent field theory and confirm its ability to make predictions for practical applications through comparison with simulations and experiments. These results suggest that the theory can optimize compatibilizer design for industrial glassy polymer blends in silico while providing microscopic insight, allowing for the development of next-generation mixtures.

Citation

Science Advances

Pub Type

Journals

Download Paper

https://doi.org/10.1126/sciadv.adk6165

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Keywords

polymer blends, polymer mechanics, compatibilizers, toughness

Citation

Ivancic, R. and Audus, D. (2024), Predicting the toughness of compatibilized polymer blends, Science Advances, [online], https://doi.org/10.1126/sciadv.adk6165, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=956371 (Accessed May 10, 2025)