Solvent selection based on a conceptual process design by combining cost evaluation and life cycle assessments for developing new reaction pathways

Abstract

Solvents have a significant impact on the efficiency and performance of chemical production. A large amount of solvent disposed after chemical production negatively impacts the environment and the economy. This study presents a solvent selection method based on a conceptual process design, which includes solvent processes used in chemical synthesis and waste solvent treatment. The proposed method is demonstrated with Suzuki–Miyaura coupling as a model reaction. The results show that solvent recycling costs and CO₂ emissions were lower than those observed for incineration. Importantly, if the appropriate solvent is selected, the cost and CO₂ emissions can be reduced by up to 67% and 70%, respectively, even with similar yields in the reaction. These results suggest that solvent selection combined with conceptual process design is the key to developing sustainable chemical production.