Multiscale modelling techniques in Life Cycle Assessment: application to product design

This paper aims at broadening the perspective in life cycle assessment methodology, exploiting multiscale modelling towards the generation of life cycle inventory data during an early-stage product design. Our approach involves the usage of molecular modelling techniques, such as electronic, atomistic or mesoscale models, in combination with continuum models, such as process simulation or finite element methods, to provide data for the generation of life cycle inventories of complex materials and production processes. In particular, each simulation is performed at a specific length and time scale through dedicated software, passing information from the lower to the upper scale. A practical application of the proposed approach will be illustrated for property predictions of nanostructured polymer systems used for manufacturing a marine engine cover. The material formulations capable of fulfilling the marine thermomechanical constraints were defined using in-silico techniques, allowing for the generation of materials life cycle inventories, which have been compared to identify the most environmentally friendly option.