Fluid Phase Equilibria, Vol.342, 52-59, 2013
Experimental determination and theoretical modeling of the vapor-liquid equilibrium and densities of the binary system butan-2-ol + tetrahydro-2H-pyran
Isobaric vapor-liquid equilibrium (VLE) data have been measured for the binary system butan-2-ol + tetrahydro-2H-pyran at 50, 75, and 94 kPa and over the temperature range from 339 to 370 K using a vapor-liquid equilibrium still with circulation of both phases. Mixing volumes were also determined at 298.15 K and atmospheric pressure with a vibrating tube densimeter. According to experimental results, the zeotropic mixture exhibits slight positive deviation from ideal behavior over the experimental range. The excess molar volumes ((nu) over tilde (E)) of the system are positive over the whole mole fraction range. The VLE data of the binary mixture satisfy the Fredenlund's consistency test and were well-correlated by the Wohl, nonrandom two-liquid (NRTL), Wilson, and universal quasichemical (UNIQUAC) equations for all of the measured isobars. The (nu) over tilde (E), in turn, were satisfactorily correlated using a second order Redlich-Kister equation. The theoretical modeling of the measured VLE and (nu) over tilde (E) data has been carried out using the polar perturbed chain statistical association fluid theory (PPC-SAFT) equation of state. In this molecular based approach, butan-2-ol was described as a polar auto-associating molecule, while tetrahydro-2H-pyran is treated as polar molecule. Molecular interactions between these two components have been approximated in terms of a hetero-association theory. It is demonstrated that a common set of parameters is able to simultaneously reproduce with good agreement both phase equilibrium and excess molar volumes measurements. (c) 2013 Elsevier B.V. All rights reserved.
Keywords:Vapor-liquid equilibrium;Mixing volumes;THP;Butan-2-ol;Association;Polar perturbed chain statistical association fluid theory (PPC-SAFT)