Contributions to the modeling and behavior of solutions containing ethanoates and hydrocarbons. New experimental data for binaries of butyl ester with alkanes (C5–C10)

• Published in: Fluid phase equilibria 2016-03, Vol.412, p.79-93
• Main Authors: Pérez, Estefanía, Ortega, Juan, Fernández, Luís, Wisniak, Jaime, Canosa, José
• Format: Article
• Language: English
• Subjects: Alkanes; Butyl ethanoate; Correlation; Esters; Hydrocarbons; Mathematical models; Mixing properties; Multiproperty correlation; Pentanes; Slopes; VLE equilibria
• ISSN: 0378-3812; 1879-0224
• DOI: 10.1016/j.fluid.2015.12.013

This work presents new experimental and theoretical contributions in relation to the behavior of binary solutions composed of butyl ethanoate and alkanes (pentane to decane). It forms part of a larger project to create an extensive database of the thermodynamic properties of ethanoates with saturated hydrocarbons which, in turn, contributes towards an even broader study that includes other compounds. Here, data for energetic (hE) and volumetric (vE) properties generated in the mixing process are presented, along with the isobaric vapor-liquid equilibria (iso-p VLE) of these binaries. Measurements for hE and vE properties were taken at different temperatures and the VLE obtained at 101.32 kPa. Of the six systems studied, only butyl ethanoate + octane presents an azeotrope (x1,az = 0.533; Taz/K = 394.2). All the experimental data obtained for each system were correlated using a multiproperty procedure with multiobjective optimization, which gives excellent results in the different representations. The application of an extended version of the NRTL model does not reproduce the changes in the slope of the function hE(x,T), nor are these represented by the UNIFAC model; for this approach, the reparametrization carried out does not alter the results. A global interpretation is made of the results of twenty-four binaries CH3COO(CH2)u-1CH3+CH3(CH2)n-2CH3 (u = 1–4; n = 5–10) with graphs that show a reasonably uniform behavior for the set of solutions studied. 3D-Plot of the surfaces T-x,y-n for the binaries alkyl (Methyl to butyl) ethanoates+alkanes (pentane to decane) calculated by the proposed model. [Display omitted] •A model for representing simultaneously the thermodynamic quantities of alkyl ester + alkanes is used with good results.•An interpretation of the structural behavior is given for twenty four binaries studied in this project.•Two predictive methods are used for estimating the different mixing properties. UNIFAC represents well the isobaric VLE.