dc.creatorScilipoti, José Antonio
dc.creatorCismondi Duarte, Martín
dc.creatorAndreatta, Alfonsina Ester
dc.creatorBrignole, Esteban Alberto
dc.date.accessioned2017-08-01T18:09:01Z
dc.date.available2017-08-01T18:09:01Z
dc.date.created2017-08-01T18:09:01Z
dc.date.issued2014-07
dc.identifierScilipoti, José Antonio; Cismondi Duarte, Martín; Andreatta, Alfonsina Ester; Brignole, Esteban Alberto; Selection of solvents with A-UNIFAC applied to detoxification of aqueous solutions; American Chemical Society; Industrial & Engineering Chemical Research; 53; 44; 7-2014; 17051-17058
dc.identifier0888-5885
dc.identifierhttp://hdl.handle.net/11336/21737
dc.identifierCONICET Digital
dc.identifierCONICET
dc.description.abstractIn this work, a molecular design of solvents program based on A-UNIFAC, a revised UNIFAC model where specific association interactions are taken into account, is applied to the removal of organic chemicals found in wood hydrolysates that are toxic for the fermentation of saccharified aqueous solutions to produce ethanol. The fundamentals of computer aided molecular design are discussed as well as the characterization and feasibility rules for the synthesis of feasible molecules. The detoxification process is analyzed from the point of view of solvent selection for liquid extraction and the primary solvent properties; the solvent-environmental properties and other solvent constraints to be applied in the computer aided molecular design are presented.
dc.languageeng
dc.publisherAmerican Chemical Society
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/ie500469f
dc.relationinfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/ie500469f
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subjectMolecular Design
dc.subjectDetoxification
dc.subjectA-Unifac
dc.subjectAqueous Solutions
dc.titleSelection of solvents with A-UNIFAC applied to detoxification of aqueous solutions
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:ar-repo/semantics/artículo
dc.typeinfo:eu-repo/semantics/publishedVersion


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