PROTOTYPE OF AN ENGINEERING EQUATION OF STATE FOR HETEROSEGMENTED POLYMERS

Citation
H. Adidharma et M. Radosz, PROTOTYPE OF AN ENGINEERING EQUATION OF STATE FOR HETEROSEGMENTED POLYMERS, Industrial & engineering chemistry research, 37(11), 1998, pp. 4453-4462
Citations number
30
Categorie Soggetti
Engineering, Chemical
ISSN journal
08885885
Volume
37
Issue
11
Year of publication
1998
Pages
4453 - 4462
Database
ISI
SICI code
0888-5885(1998)37:11<4453:POAEEO>2.0.ZU;2-C
Abstract
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.