Simultaneous Calculation of Fluid Phase Equilibria and Interfacial Properties of Aprotic Solvent Mixtures Incorporating Experimental Studies
Published on 1. April 2014
Book
Paperback/Softback
171 pages
978-3-8439-1481-9 (ISBN)
Description
This work contributes to the investigation of the applicability of modeling tools to generate thermodynamic data. The PCP-SAFT equation of state was combined with the Density Gradient Theory in order to simultaneously calculate fluid phase equilibria and interfacial properties of binary and ternary mixtures containing aprotic compounds of different polarity.
Experimental data were required to estimate values of model parameters and to validate calculated data. Therefore, binary and ternary liquid-liquid phase equilibria (LLE) as well as vapor-liquid (VL) and liquid-liquid (LL) interfacial tensions of pure components and mixtures were measured to expand the experimental database.
As the systems under study comprised apolar, medium and highly polar components, strongly non-ideal behavior was observed. Interference of VLE and LLE behavior results in peculiar azeotropic and interfacial behavior.
By simultaneously considering different types of fluid phase equilibria and interfacial properties specific relations between bulk-phase and interfacial behavior were investigated. The accumulation of certain components at the interface, e.g., is predicted to be linked to VLE and LLE characteristics.
Experimental data were required to estimate values of model parameters and to validate calculated data. Therefore, binary and ternary liquid-liquid phase equilibria (LLE) as well as vapor-liquid (VL) and liquid-liquid (LL) interfacial tensions of pure components and mixtures were measured to expand the experimental database.
As the systems under study comprised apolar, medium and highly polar components, strongly non-ideal behavior was observed. Interference of VLE and LLE behavior results in peculiar azeotropic and interfacial behavior.
By simultaneously considering different types of fluid phase equilibria and interfacial properties specific relations between bulk-phase and interfacial behavior were investigated. The accumulation of certain components at the interface, e.g., is predicted to be linked to VLE and LLE characteristics.