INVESTIGADORES
CISMONDI DUARTE Martin
artículos
Título:
Selection of solvents with A-UNIFAC applied to detoxification of aqueous solutions
Autor/es:
SCILIPOTI, J.A.; MARTÍN CISMONDI; ANDREATTA, ALFONSINA; ESTEBAN ALBERTO BRIGNOLE
Revista:
INDUSTRIAL & ENGINEERING CHEMICAL RESEARCH
Editorial:
AMER CHEMICAL SOC
Referencias:
Lugar: Washington; Año: 2014 vol. 53 p. 17051 - 17058
ISSN:
0888-5885
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.
