The Influence of Acid Group Clustering on the Thermal and Mechanical Properties of a Self-Healing Polymer

To better understand the molecular level mechanisms behind the self-healing of polymer systems, this work developed and validated a molecular dynamics model for a self-healing polymer, Surlyn® 8940. The polymer chains were built using a free-radical polymerization between ethylene monomers (~95 mol %) and methacrylic acid monomers. Predicted thermal and structural properties including thermal conductivity, heat capacity, transition temperatures, thermal expansion coefficient, density, and Young’s modulus were shown to be in good agreement with experimental values. Furthermore, the effects of cluster formation among the acid groups on these properties were explored. † Corresponding author email: kevin.hadley@sdsmt.edu https://ntrs.nasa.gov/search.jsp?R=20190029225 2019-11-21T20:56:25+00:00Z