Evaluating sustainable materials for membrane separations through molecular simulations: the case of Polyxydroxyalkanoates (PHA)

Membrane technology is a valid alternative to traditional gas separation processes and a promising solution for Carbon Capture. Even though membrane materials are usually polymer-based, end-of-life treatment planning seldom enters process design considerations. Using degradable biopolymers could increase the sustainability of membrane technology, which is conquering market shares owing to its positive environmental impact. Gas transport properties of different polymers of PHA family were obtained from molecular simulation, with results validated on experimental data. The ultimate purpose of this project is to promote a circular economy mindset through the analysis of potential applicability of bio-based polymers in typical industrial applications.