Implementation of PC-SAFT and SAFT + Cubic for modeling thermodynamic properties of haloalkanes. I. 11 halomethanes

In the current study the widely implemented theoretically based model PC-SAFT and the recently proposed SAFT + Cubic have been applied for correlating and predicting various thermodynamic properties of 11 halomethanes. It has been found that thanks to the correct estimation of the experimental critical temperatures and pressures, SAFT + Cubic exhibits a superior robustness and reliability in modeling both pure compounds under consideration and their mixtures. In addition, SAFT + Cubic has a clear advantage in predicting sound velocities and isochoric heat capacities. However PC-SAFT is more accurate in modeling certain kinds of data, such as the isobaric heat capacities of saturated liquids and vapor pressures away from the critical points.

► PC-SAFT and SAFT + Cubic are used for modeling properties of 11 pure halomethanes.
► SAFT + Cubic exhibits a superior over-all robustness and reliability.
► PC-SAFT is more accurate in modeling certain kinds of data.