Process design and enhancement of extraction distillation for separating n-propanol and dimethyl carbonate using imidazolium-based ionic liquids
This study identifies [EMim][AC] as an optimal ionic liquid extractant for separating the n-propanol/dimethyl carbonate azeotrope through a multi-scale approach combining quantum chemistry and molecular dynamics, and demonstrates via Aspen simulation that its heat-integrated extractive distillation process significantly reduces total annual cost and gas emissions compared to conventional DMSO-based methods.