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Title Thermodynamic study of binary mixture of 2-butanol + monoethanolamine at different temperatures; PC-SAFT and ERAS models
Type JournalPaper
Keywords Density; Binary liquid mixtures; ERAS model; PC-SAFT model; Molecular interactions
Abstract In this paper, in order to study the possible intermolecular interactions in the binary mixture of 2-butanol with monoethanolamine, values of density were measured at temperatures 293.15 to 323.15 K with the steps of 5 K. From these experimental densities the values of excess molar volumes, , thermal expansion coefficients, , excess thermal expansion coefficients, , and isothermal coefficient of excess molar enthalpies, , were calculated. The excess molar volumes are negative for the binary mixture over the whole range of concentration and become more negative with increasing temperature. The Extended Real Associated Solutions (ERAS) model was used to correlate the excess molar volumes at different temperatures. Agreement between experimental data and predicted values through this model was reasonable at all temperatures. The maximum standard deviation for the mentioned binary mixture under study was 1%. The Perturbed Chain Statistical Associating Fluid (PC-SAFT) model with different schemes (2B, 3B, 4C) was also applied to correlate the binary densities. A comparison among the performance of three approaches shows that the scheme 3B-2B at 293.15 K with the average absolute deviation (AAD) 1.63% shows the best agreement with experimental data. When the PC-SAFT model with the prediction ability (kij= 0) was implemented, the minimum of AAD has been 4.66%, which indicates the predictability of this model for density almost as much as the ERAS model.
Researchers (First Researcher), Fakhri Kermanpour (Second Researcher)