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- W147999529 abstract "The selection of the most appropriate alternative solvents requires efficient predictive tools that avoid resorting to time-consuming trial and error experiments. Several classifications of organic solvents exist but they most often require the knowledge of one or more experimental characteristics, which might be an obstacle in the case of emerging candidates. This chapter gives an overview of existing tools for the characterisation and classification of organic solvents and particular attention is given to purely predictive methods, such as the COnductor-like Screening MOdel for Real Solvents (COSMO-RS). A panorama of the currently available sustainable solvents is given, and these “green” alternatives are compared to the classical organic solvents, thanks to a completely in silico approach. Examples of substitutions are given to illustrate the methodology that can also be used to design new alternatives." @default.
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- W147999529 date "2014-01-01" @default.
- W147999529 modified "2023-10-18" @default.
- W147999529 title "In Silico Search for Alternative Green Solvents" @default.
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- W147999529 doi "https://doi.org/10.1007/978-3-662-43628-8_1" @default.
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