PROTOTYPE OF AN ENGINEERING EQUATION OF STATE FOR HETEROSEGMENTED POLYMERS

The square-well fluid thermodynamics and liquid structure derived from Barker-Henderson's perturbation theory, including a truncation correc tion, are used within a SAFT framework to develop a prototype of an en gineering equation of state for alkane chains, referred to as SAFT1. F or small n-alkanes, not only the vapor pressure and liquid density, bu t also the second virial coefficient, heat of vaporization, and heat c apacity, are found to be more accurate. SAFT1 parameters are well beha ved and hence easy to estimate reliably for high-molecular-weight alka nes and polyolefins. These parameters are found to predict cloud point s in mixtures of homo- and heterosegmented molecules, such as polyolef ins, without fitting.