Phase equilibria and excess molar enthalpies study of the binary systems (pyrrole + hydrocarbon, or an alcohol) and modeling

• Measurements of phase diagrams of pyrrole with hydrocarbons and alcohols.
• Density measurements and VmE of pyrrole with pyridine.
• Measurements of HmE of pyrrole with hydrocarbons and alcohols.
• The Mod. UNIFAC (Do) and DISQUAC group contribution models.
• The new interaction parameters.

Isothermal vapour–liquid equilibrium data (VLE) have been measured by an ebulliometric method for the binary mixtures of {pyrrole (1) + benzene, or pyridine, or cyclohexane (2)} at three temperatures (338.15, 348.15 and 358.15 K). Binary systems with pyridine were measured at higher temperatures (353.15, 363.15 and 373.15 K). The densities and excess molar volumes (VmE) of {pyrrole (1) + pyridine (2)} over temperature range (298.15–338.15 K) were developed. The excess molar enthalpies (HmE) of binary systems of {pyrrole (1) + benzene, or pyridine, or cyclohexane, or 1-propanol, or 1-butanol, or 1-pentanol (2)} at temperature T = 298.15 K have been measured. Well-known non-random two liquids (NRTL) equation and the Redlich–Kister equation has been used to correlate the experimental VLE data sets and HmE, respectively. Using the data presented in this work and published by us earlier, the interaction parameters have been determined for Mod. UNIFAC (Do) and DISQUAC models for the systems {pyrrole (1) + benzene, or pyridine, or cyclohexane (2)}. Both models described experimental data with similar accuracy. The DISQUAC model predicts liquid–liquid equilibrium (LLE) in system (pyrrole + cyclohexane) which is in agreement with the experiment, whereas Mod. UNIFAC (Do) predicts simple eutectic system. In case of binary systems with alcohols, the interaction parameters could not accurately describe the experimental data.

Figure optionsDownload as PowerPoint slide