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COMPUTER AIDED SOLVENT DESIGN FOR THE ENVIRONMENT
Citation:
Zhao**, R, H C. Cabezas*, AND S. R. Nishtala. COMPUTER AIDED SOLVENT DESIGN FOR THE ENVIRONMENT. ISBN: 9781560328247, Chapter 17, S.K.Sikdar and M.M.El-Halwagi (ed.), Process Design Tools for the Environment. Taylor & Francis Publishers, New York, NY, , 431-453, (2001).
Impact/Purpose:
to publish information
Description:
Solvent substitution is an effective and useful means of eliminating the use of harmful solvents, but finding substitute solvents which are less harmful and as effective as currently used solvents presents significant difficulties. Solvent substitution is a form of reverse engineering where one tries to inversely find the solvents from the required properties rather than estimating property values for given solvents. In some ways, it is actually different and more difficult than reverse engineering because there are no general or well-established methods for finding solvents from required properties.
Here we present a brief and systematic introduction to computer aided design of substitute solvents, and illustrate these concepts with an example involving the design of a substitute for methyl ethyl ketone.
