Advancing materials for the energy transition with molecular precision synthesis and in silico design
The project (2025-2026) funded by the Royal Society of Edinburgh under the Scotland-Lower Saxony Research & Innovation Scheme, will foster our collaboration with prof. Michael Fischlschweiger, of TU Clausthal, on the precise design of barrier materials used in the hydrogen supply chain. The Co-PI is Dr. Eleonora Ricci.
This project is dedicated to providing scientific and technological support for the development of a new green hydrogen infrastructure envisioned by both the Scottish and German governments.
This project will provide scientific support for the new green hydrogen infrastructure envisioned by the Scottish and German governments.
The work focuses on semi-crystalline polymers, materials suitable for the safe delivery and storage of hydrogen due to their resistance to hydrogen permeation. The behaviour of these materials under high-pressure conditions is poorly understood,complicating their precise design due to the absence of reliable modelling.
Molecular simulations can facilitate the accurate in silico design of these materials under extreme conditions, but their validation presents challenges, due to difficulty in replicating the molecular structure of semi-crystalline polymers in experimental settings.
To overcome these obstacles, this collaboration combines the advanced modelling techniques developed at the University of Edinburgh with the material fabrication expertise of TU Clausthal.
A type IV hydrogen tank
A semicrystalline polymer microscopic representation
The goal is to enhance our understanding of key materials essential for a safe hydrogen network and to transfer the knowledge advancement to other materials critical for the energy transition.
People Involved
RSE Reference Number: 5522
