Computer-based separation processes for the bio-based production of chemicals

The current production of chemicals is predominantly based on fossil raw materials and fuels, but this leads to climate affecting CO₂ emissions. It is therefore essential to switch to renewable raw materials such as biomass necessary. Therefore, we search for solvent-based novel separation processes that could make biomass available for new resource-efficient production pathways. To identify optimal solvents for each separation step, we have developed computer-aided optimization methods for solvent molecules based on quantum chemistry and artificial intelligence.