Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

ABSTRACT

Infinite dilution partition coefficients of isomeric benzene derivatives in the [bmim][Tf2N] (1-butyl-3- methylimidazolium bis(trifluoromethylsulfonyl)imide)-CO2 biphasic system were measured with a supercritical fluid chromatography technique at pressures of 6 - 15 MPa and at temperatures of 313 - 353 K. The partition coefficients of o-cresol were always larger than those of m and p-cresol, while those of oxylene were always smaller than those of m and p-xylene for all temperatures and pressures. The partition coefficients of the solutes in the ionic liquid-CO2 systems were found to be in the order of their vapor pressure in accordance with previous reports. The partition coefficient data were correlated with the ePC-SAFT (electrolytes perturbed-chain statistical associating fluid theory) equations and with the empirical LSER (Linear Solvation Energy Relationship)-delta model. The overall average relative deviation (ARD) of the ePC-SAFT equation using interaction parameters between ionic liquid and solute as fitting parameters was 8.2% and compared well with the LSER-delta model (7.5%). In one approach to improve the prediction capability of the ePC-SAFT equation, literature data of infinite dilution activity coefficients of toluene in the [bmim][Tf2N]-toluene biphasic system at atmospheric pressure were used to determine ePC-SAFT interaction parameters between [bmim][Tf2N] and toluene. Although this approach improved the ePC-SAFT description of the [bmim][Tf2N]-CO2-toluene system, the correlation was qualitative at high pressure and can be attributed to CO2 in the liquid phase that affects [bmim][Tf2N]-toluene interactions.