Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

ABSTRACT

The excess molar volumes, excess molar isentropic compressibilities, and viscosity deviations have been evaluated using the experimental densities, speeds of sound and viscosities data of pure ionic liquid, 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, ([BMIM][NTF2]), 1-butanol, 1-propanol and of their binary mixtures over the entire mole fraction ranges of ionic liquid at temperatures (298.15, 303.15, 308.15, 313.15, 318.15 and 323.15) K and at 0.1 MPa pressure. The excess molar volume, excess molar isentropic compressibility, and viscosity deviation values have been fitted to Redlich-Kister polynomial equation. The experimental and computed parameters have been discussed in terms of ion-ion, ion-dipole, dipole-dipole and hydrogen bonding interactions. The density and excess molar volume values have also been predicted using molecular dynamics (MD) simulations, in order to relate the thermodynamic properties to the microscopic structure of the mixtures analyzing the radial and spatial distribution functions. The Prigogine-Flory-Patterson (PFP) theory has been applied to correlate the excess molar volumes.