Simulations and Modelling

Thermodynamic simulations

Thermodynamic modelling is used to simulate a furnace process operation and obtain insights in which phases form depending on material inputs, temperature, applied atmospheres… In addition, our group uses thermodynamic modelling to predict slag properties. Our research group has experience with FactSage and Chemapp.

Molecular Dynamics simulations

Molecular Dynamics (MD) simulations can be used to determine slag properties for compositions above the maximum operating temperature of our lab equipment. Properties are extracted via monitoring the physical movement of a large number atoms. Currently, simulations can be run to obtain slag density, viscosity, ionic conductivity, thermal conductivity and atom diffusion coefficients.

Other simulations inquiries

The Sustainable Materials Science group possesses a ‘SME e-wallet’ (Kmo-portefeuille) profile, which allows entrepreneurs to get financial aid when contracting with us. More information

Other types of simulations, such as CFD, TEA or phase field simulations are also part of the SMS's research group portfolio. Is your simulation issue or investigation more complex, or do you have further questions regarding our expertise and what we can do for you? contact our experts