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Fluid phase behavior modeling of CO 2 + molten polymer systems using cubic and theoretically based equations of state
Author(s) -
Arce Pedro,
Aznar Martin,
Mattedi Silvana
Publication year - 2008
Publication title -
polymer engineering and science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.503
H-Index - 111
eISSN - 1548-2634
pISSN - 0032-3888
DOI - 10.1002/pen.21069
Subject(s) - thermodynamics , equation of state , polymer , solubility , materials science , binary number , work (physics) , cubic function , flory–huggins solution theory , phase (matter) , mixing (physics) , chemistry , organic chemistry , physics , composite material , mathematical analysis , arithmetic , mathematics , quantum mechanics
Phase equilibrium data of CO 2 + molten polymer systems are of great relevance for chemical engineers because these are necessary for the optimal design of polymer final‐treatment processes. This kind of processes needs information about gas solubilities in polymers at several temperatures and pressures. In this work, CO 2 solubilities in molten polymers were modeled by the perturbed chain‐statistical associating fluid theory (PC‐SAFT) equation of state (EoS). For comparison, the solubilities were also calculated by the lattice gas theory (LGT) EoS, and by the well‐known Peng‐Robinson (PR) cubic EoS. To adjust the interactions between segments of mixtures, there were used classical mixing rules, with one adjustable temperature‐dependent binary parameter for the PC‐SAFT and PR EoS, and two adjustable binary parameters for the LGT EoS. The results were compared with experimental data obtained from literature. The results in terms of solubility pressure deviations indicate that the vapor–liquid behavior for CO 2 + polymer systems is better predicted by the PC‐SAFT model than by LGT and PR models. POLYM. ENG. SCI., 2008. © 2008 Society of Plastics Engineers.