Solvent Selection Screens

Solvents are often critical to a chemical process as a medium in which to facilitate contact of reactants and manage energy flows. They are also often the deciding aspect in the cost and environmental impact of a chemical process. However, when it comes to choosing the right solvent there are often many options, all which have different properties and different environmental impacts. A solvent selection tool identifies different solvent options using a variety of statistical, regression, and structure/property-based strategies, and then provides comparisons through various graphical outputs and shortlists. It allows the user to apply filters that select for certain properties and pick the best possible solvent for the situation. It also can aid in sustainability through improving industrial process and aiding in the evaluation of solvents in regard to their environmental and health impact.

Center for Green Chemistry and Green Engineering at Yale

Visit us at https://greenchemistry.yale.edu/

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