The CHARMPOL project aims at developing an integrated simulation chain for the design of complex materials, with focus on sorption and transport properties of polymers to be used as barrier materials or in the management of high-pressure gases like hydrogen, CO2 and others. The methods include a detailed atomistic simulation of the single phases, a coarser simulation of the interface, and subsequent bridging with macroscopic methods that require a lower computational power and number of parameters. A continuous validation of the modelling results with existing or newly obtained experimental data will corroborate the model developed, and expand the knowledge in the field.
Sito di riferimento
Polymers for energy transition - DPI
Partner di Progetto
- UNIBO
- The University of Edinburgh
Team di ricerca UNIBO
Ambiti di ricerca
Diffusione in polimeri/separazioni a membrana