Integrated Life Cycle and Techno-Economic Assessment of Micellar Solvent Systems in Bulk Fine Chemical Production

Micellar solvent systems (MSS) employing water, surfactant, and an organic solvent can be exploited to recycle homogeneous catalysts. This paper presents a first integrated life cycle assessment (LCA) and techno-economic assessment (TEA) selecting a three-step synthesis of the fungicide Boscalid as a case study for bulk fine chemicals. Scale-up models of the mid-technology-readiness-level synthesis in an MSS and its conventional benchmark system (BMS) are presented and compared, assuming a 1 kt/a production capacity at the US Gulf Coast in the reference year 2019. All LCA indicators of the MSS indicate lower impacts, e.g., -8% global warming potential (MSS: 47 kg CO2 equiv/kg, BMS: 51 kg CO2 equiv/kg) or -44% metal depletion potential, the latter benefiting from homogeneous catalyst reuse. The educts are the main contributors to most impact categories. In the base case, cost and profitability indicators reveal economic challenges for the MSS (levelized cost of goods sold: MSS: 29.06 $/kg; BMS: 27.46 $/kg). Scenarios with higher reactant concentrations or lower hydrogenation catalyst amounts suggest feasible measures to achieve economic competitiveness. This study finds potential for MSS at an industrial scale.