C. Pan et M. Radosz, COPOLYMER SAFT MODELING OF PHASE-BEHAVIOR IN HYDROCARBON-CHAIN SOLUTIONS - ALKANE OLIGOMERS, POLYETHYLENE, POLY(ETHYLENE-CO-OLEFIN-1), POLYSTYRENE, AND POLY(ETHYLENE-CO-STYRENE), Industrial & engineering chemistry research, 37(8), 1998, pp. 3169-3179
The copolymer SAFT equation of state is found to represent phase trans
itions in the normal-alkane and methyl-alkane solutions in methane, et
hane, propane, and n-hexane, the polyethylene and poly(ethylene-co-ole
fin-1) solutions in propane, and the polystyrene solutions in n-butane
. The pure-solute parameters are all estimated on the basis of the mol
ecular weight and structure only, and the one temperature-independent
and system-independent (within each class of solutes) binary parameter
is set equal to a constant. The segment energy of the methyl branches
is found to be around 160 K, which is lower than the corresponding ba
ckbone energy, while the segment energy of the benzene branches is fou
nd to be around 222 K for polystyrene, which is higher than the corres
ponding backbone energy. The alkyl branches are found to promote the p
olymer miscibility while the benzene branches are found to inhibit the
polymer miscibility in propane.