Phase equilibria in strong polar fluids using a perturbed hard-sphere-chain equation of state combined with three different association models

Technical Report · Sat Oct 01 00:00:00 EDT 1994

DOI:https://doi.org/10.2172/91961· OSTI ID:91961

Schaefer, B; Lambert, S M; Song, Y; Prausnitz, J M

Goal of this work is the extension of a Perturbed-Hard-Sphere-Chain equation of state (PHSC EOS) to systems containing strong polar components. Three different types of association models (ten Brinke/Karasz, SAFI, modified Veytsman) were used to calculate the contribution of specific interactions like hydrogen bonding to thermodynamic quantities. Pure component parameters obtained from regression of temperature dependent density and vapor pressure data allow the prediction of VLE and LLE data. The results of simple fluids and polymer solutions were compared with experimental data. The SAFT and the modified Veytsman extension give similar results for pure fluids and mixtures with components of similar segment size. Differences increase with increasing difference of segment size.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 91961
• Report Number(s): LBL-36814; ON: DE95015143
• Resource Relation: Other Information: PBD: Oct 1994
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
66 PHYSICS
POLAR COMPOUNDS
PHASE DIAGRAMS
THERMODYNAMICS
POTENTIALS
THERMODYNAMIC ACTIVITY
CHEMICAL BONDS
EQUILIBRIUM
MIXTURES
FLUIDS