Computer-aided solvent selection and design for efficient chemical processes

This article summarizes property models for predicting solvent effects and introduces theoretical methods for solvent selection and design. Recent developments in computer-aided solvent selection/design for four selected application areas including reaction rate acceleration, carbon capture, extractive desulfurization, and homogeneous catalyst recovery are briefly reviewed. To conclude, several remaining challenges and possible future directions are discussed.

Source: Current Opinion in Chemical Engineering - November 29, 2019 Category: Chemistry Source Type: research