Thermodynamic modeling of new generation fuels

MARIANA GONZÁLEZ PRIETO; FRANCISCO A. SÁNCHEZ; SELVA PEREDA

Alicante

Congreso; X Iberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design; 2015

Universidad de Alicante

Pressure intensified technologies have a great potential in the context of biomass refining. A thermodynamic model able to predict phase behavior 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. Moreover, the design of particular fuel/biofuel blends also requires the support of a thermodynamic model to predict the properties of the final products. 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) [1] is able to predict the complex phase behavior of mixtures containing natural products and biofuels [2?5]. 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 [6,7]. In this work, as a case study, 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 CO2 and ethanol as co-solvent.References[1] H.P. Gros, S.B. Bottini, E.A. Brignole, Fluid Phase Equilib. 116 (1996) 537.[2] O. Ferreira, T. Fornari, E.A. Brignole, S.B. Bottini, Lat. Am. Appl. Res. 33 (2003) 307.[3] P.E. Hegel, A.E. Andreatta, S. Pereda, S.B. Bottini, E.A. Brignole, Fluid Phase Equilib. 266 (2008) 31.[4] T.M. Soria, A.E. Andreatta, S. Pereda, S.B. Bottini, Fluid Phase Equilib. 302 (2011) 1.[5] F.A. Sánchez, S. Pereda, E.A. Brignole, Fluid Phase Equilib. 306 (2011) 112.[6] E. Christensen, J. Yanowitz, M. Ratcliff, R.L. McCormick, Energy & Fuels 25 (2011) 4723.[7] Y. Román-Leshkov, C.J. Barrett, Z.Y. Liu, J.A. Dumesic, Nature 447 (2007) 982.