A screening methodology for improved solvent selection using economic and environmental assessments

Abstract.

Solvents are used in many applications in chemical manufacturing. An ideal solvent exhibits superior solubility, economic, and environmental impact characteristics. There are many approaches developed for identifying the best solvents, including the use of the Hansen solubility parameters, activity coefficients, toxicity properties, flammability characteristics, and methods based on structure–activity relationships.

In this paper, a general methodology is developed to perform solvent selection using solubility matching, economic evaluation and environmental assessments. We propose a five-step approach to perform this task: 1.Solubility matching by applying Hansen solubility parameters 2.Process-specific property constraints, such as boiling point and melting point 3.Economic assessment via process simulation to investigate solvent usage, energy consumption, equipment investment and other operating costs 4.Environmental impact assessment based on process simulation and emission estimation 5.Solvent ranking using economic and environmental objective functions

A case study is evaluated using this methodology. This methodology provides a general and effective approach to solvent selection in the context of the entire process, balancing economic, environmental, and operational performances.