Isobaric (vapour+liquid) equilibria data for the binary systems (toluene+acetic acid) and (toluene+methyl ethyl ketone) at atmospheric pressure

Abstract

Isobaric vapour-liquid equilibrium data have been measured for the binary systems toluene (1) þ acetic acid (2) and toluene (1) þ methyl ethyl ketone (2) at atmospheric pressure. An all-glass Fischer-Labodest-type apparatus, capable of handling pressures from 0.25 to 400 kPa and temperatures up to 523.15 K was used. The data were correlated by means of the NRTL, UNIQUAC, WILSON models and the applied UNIFAC model with satisfactory results; the relevant parameters are given and results were tested with regard to thermodynamic consistency using the methods of a modified Redlich-Kister and Herington equations.

Methodology to Predict Thermodynamic Data from Spectroscopic Analysis

“…These reported data are obtained through TDE-NIST in Aspen Plus version 10. These NIST database results are data-validated by NIST and originate from Ortega and Espiau for the ethanol–heptane mixture, from Heintz et al for the 1-butanol–nonane mixture, from Rao et al from the chloroform–toluene mixture, from Camero et al for the MEK–chloroform mixture, and from Uslu et al for the toluene–MEK mixture.…”

“…Following the described procedure (vide supra), the Txy-diagrams of a number of binary systems were constructed from the spectroscopic data as input. These predicted Txy-diagrams were compared with those predicted by UNIFAC and measured data points [51][52][53][54][55] (see Fig. 7).…”

“…Following the described procedure ( vide supra ), the T-xy diagrams of a number of binary systems were constructed from the spectroscopic data as input. These predicted T-xy diagrams were compared with those predicted by UNIFAC and measured data points − (see Figure ). For the binary mixtures consisting of chloroform, MEK, and toluene, the predicted VLE data through the individual A E – g E models correspond very well with the data from the UNIFAC model, and most importantly, with the measured literature data.…”

“…It is notable that the VLE relates to a temperature range between 60 °C and 120 °C, while the MIR absorbance was measured at room temperature. This shows for these systems that the individual A E −g E models that Blue solid lines represent predictions based on UNIQUAC binary interaction parameters obtained from the A E −g E models, green dashed lines represent predictions based on UNIFAC, and symbols represent the boiling point and dew point data from the NIST database originating from Rao et al, 53 Camero et al, 54 and Uslu et al 55 Industrial & Engineering Chemistry Research were obtained from measurements and g E calibration data based on UNIFAC, both determined at room temperature only, can predict VLE behavior at different temperatures. We expect that this observation can be attributed to the use of the UNIQUAC model rather than to the methodology used.…”

“…Espiau 51 for the ethanol-heptane mixture, from Heintz et al 52 for the 1-butanol-nonane mixture, from Rao et al 53 from the chloroform-toluene mixture, from Camero et al 54 for the MEKchloroform mixture and from Uslu et al 55 for the toluene-MEK mixture.…”