Ex-Ante Optimal Design of Sustainable Phase Change Materials for Latent Heat Storage

Energy consumption for residential heating can be reduced using new insulation solutions in the form of phase change materials (PCMs) integrated within the building structure. This work proposes a framework for the optimal design of PCMs considering operational as well as sustainability aspects at the early stages of the material development process. The proposed framework applies computer-aided molecular design tools and considers a practical simulation model to calculate the functional performance of the PCM, as well as a variety of constraints to impose desirable bounds on the material thermophysical properties and its impact on environment and safety.