High pressure phase equilibria prediction

SELVA PEREDA; MARIANA GONZÁLEZ PRIETO; FRANCISCO ADRIÁN SÁNCHEZ

Viña del Mar

Congreso; IV Iberoamerican Conference on Supercritical Fluids; 2016

Pressure intensified technologies have a great potential in the context of biomass refining. A thermodynamic model able to predict phase behaviour of typical mixtures found in biomass processing technologies, containing for instance hydrocarbons, organo-oxygenated compounds and water, is required for the development of a biorefinery process simulator. These types of mixtures are highly non-ideal due to the presence of association and solvation effects. It has already been proved that the Group Contribution with Association Equation of State (GCA-EoS)is able to predict the complex phase behaviour of mixtures containing natural products and conventional biofuels (ethanol and biodiesel). In the last few years, several contributions agree that 2,5-dimethylfuran (2,5-DMF) has a great potential as a sugar-derived fuel additive.In this work, we extend the GCA-EoS to represent the phase equilibria of furan derivatives with hydrocarbons and alcohols. In addition, we show that the GCA-EoS is able to predict,based on the performed parameterization, high pressure data of 5-hydroxymethylfurfural (5-HMF) solubility in CO 2 and ethanol as co solvent. The prediction of this data shows that GCA-EoS is a robust tool to design phase behaviour according to the process needs.