PLAPIQUI   05457
PLANTA PILOTO DE INGENIERIA QUIMICA
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Molecular Design of Solvents for 2nd Generation Biofuels Separation Processes
Autor/es:
ANA SILVEIRA; JOSÉ SCILIPOTI; MARTÍN CISMONDI; ESTEBAN BRIGNOLE
Lugar:
Salt Lake City
Reunión:
Encuentro; AICHE Annual Meeting 2010; 2010
Resumen:
The second generation biofuels are
based on the use of biomass, mainly from lignocellulosic sources, as raw
materials for the production of biofuels and for the chemical and paper
industry. Many challenging separations problems are faced for the conversion of
cellulosic materials in fuels and chemicals. Even though there are different
wood processing, in the present work we focus mainly on the process of
detoxification of hydroxilates; that will be used for the production of ethanol
and other chemicals by fermentation processes.
In this work, the ECOFAC molecular
design of solvents program (Cismondi and Brignole [1]) is upgraded to deal with
the separation of organic chemicals found in wood hydroxilates, that are toxic
for the fermentation process. For this purpose, the last UNIFAC parameter data
bank revision are updated with new parameters reported in the literature for
the components of interest. Examples of selection of solvents for different
toxic components are presented and a strategy, for solvent selection with
multiple objetive optimization goals, is presented. The ECOFAC program is also
updated for the prediction of environmental properties, among others: octanol
water partition coefficients and water solubilities of organic compounds.
The program also incorporates a more
general molecular design procedure to generate families of lignocellulosic
derivatives that are toxic for the fermentation process. In this way potential
solvents can be screened in their capacity to separate these products. As a
difference with a typical extraction process the raffinate is in this
separation problem the product to be recovered and for this reason the primary
solvent properties are more restrictive than in conventional extraction
processes.
Another option under development for
this particular type of application is the use of A-UNIFAC, an group
contribution approach taking into account association.