Perfluorodecalin/hydrocarbon systems prediction and correlation of liquid-liquid equilibrium data

Abstract

Experimental binary, ternary and quaternary liquid-liquid equilibrium data for systems containing perfluorodecaline (PFD) and some hydrocarbons were determined.

Binary NRTL, UNIQUAC and UNIFAC parameters were obtained, from the binary, the ternary and the quaternary experimental data: for the calculation of parameters from binary data a Newton-Raphson technique was used and the parameters so obtainedfor each temperature (T)-were linearly correlated with T and 1/T. Predicted binary, ternary and quaternary data were then compared with the experimental results; a Nelder-Mead method was used for the calculation of the binary parameters from ternary tie-line data.

UNIFAC group parameters for the interaction CH2/CF2 and CH=CH2/CF2 were obtained.

Attempts were made, and are discussed, to: correlate UNIFAC parameters with the number of carbon atoms and temperature; obtain a set of NRTL and UNIQUAC parameters yielding the overall best fit for the systems under consideration.