ChemGrain: Modelling Thermo-Chemically Active Granular Materials
ChemGrain is a collaborative project between the University of Twente and TU Delft that fills this gap. Building on the open-source platform MercuryDPM, we are developing, validating, and applying new computational tools that enable researchers and industry to design cleaner and more efficient processes with thermo-chemically active granular materials.
Project Goals
- Develop new thermo-chemical models in MercuryDPM, with demonstration codes, documentation, and test cases.
- Validate the models against experimental data:
- Apply the validated models to thermochemical heat storage, a key technology for renewable energy.
- Disseminate results openly through publications, FAIR datasets, and open-source software.
Impact
By combining cutting-edge modelling with experimental validation, ChemGrain provides the missing tools needed to simulate and optimise energy-relevant granular processes. The results will accelerate the adoption of thermochemical heat storage, reduce industrial energy losses, and lower CO₂ emissions.
Project funded by the 4TU Energy Rapid Research programme. Duration: 2025–2026.
