Simple Theoretical Model for Thermal Conductivityof Crystalline Polymers

The thermal conductivity of crystalline polymers is higher than their amorphous counterparts yet still spans three orders of magnitude. In this study, by quantifying intrinsic properties including bond energy, backbone rotation, in-plane bond ratio, and atomic mass, we develop a theoretical model to predict thermal conductivity of crystalline polymers based on a given unit cell. This model can be readily applied to estimate thermal conductivity of crystalline polymers without large-scale simulations or experimental measurements. The model could advance fundamental understanding of thermal transport properties in crystalline polymers and guide the efficient design of functional polymers with desired thermal conductivity.