Artículo
Selection of solvents with A-UNIFAC applied to detoxification of aqueous solutions
Scilipoti, José Antonio
; Cismondi Duarte, Martín
; Andreatta, Alfonsina Ester
; Brignole, Esteban Alberto
Fecha de publicación:
07/2014
Editorial:
American Chemical Society
Revista:
Industrial & Engineering Chemical Research
ISSN:
0888-5885
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
In 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.
Palabras clave:
Molecular Design
,
Detoxification
,
A-Unifac
,
Aqueous Solutions
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Colecciones
Articulos(CCT - BAHIA BLANCA)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - BAHIA BLANCA
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - BAHIA BLANCA
Articulos(PLAPIQUI)
Articulos de PLANTA PILOTO DE INGENIERIA QUIMICA (I)
Articulos de PLANTA PILOTO DE INGENIERIA QUIMICA (I)
Citación
Scilipoti, 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
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