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COMPUTER AIDED DESIGN OF REPLACEMENT SOLVENTS UNDER VARYING ENVIRONMENTAL CONSTRAINTS
Citation:
Cabezas*, H C., R Zhao**, M. R. Green, P F. Harten*, AND M. Li**. COMPUTER AIDED DESIGN OF REPLACEMENT SOLVENTS UNDER VARYING ENVIRONMENTAL CONSTRAINTS. Presented at 32nd American Chemical Society Central Regional Meeting, Covington, KY, 5/16-19/00.
Description:
There is a great need to replace many solvents that are commonly used by industry and the public, but whose continued use entails a number of human health and environmental risks. One problem hampering solvent replacement is the thought that replacement, particularly for environmental reasons, can involve severe compromises on solvent technical performace. Using the PARIS II solvent design software developed by the authors, we demonstrate, that, in fact, replacements can be designed for pure solvents and solvent mixtures that are as effective as the solvents they replace while possessing much better environmental properties. This is shown to be the case regardless of whether the solvent is being designed to minimize human toxicity, ecological toxicity, regional environmental effects, global environmental effects or all of the above. These conclusions are supported with examples of pure solvent and mixture solvent replacements.