Modeling copolymer systems using the perturbed-chain SAFT equation of state

Industrial and Engineering Chemistry Research

Volumn 42, Issue 6, 2003, Pages 1266-1274

  Gross, Joachim ^a,c   Spuhl, Oliver ^a   Tumakaka, Feelly ^b   Sadowski, Gabriele ^b  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

^b TU DORTMUND UNIVERSITY   (Germany)

^c BASF SE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITION; EQUATIONS OF STATE; MOLECULAR STRUCTURE; MONOMERS;

INTERACTION PARAMETERS;

COPOLYMERS;

COPOLYMER;

COPOLYMER; EQUATION OF STATE;

ARTICLE; CHEMICAL COMPOSITION; LIQUID LIQUID EXTRACTION; MACROMOLECULE; MOLECULAR INTERACTION; MOLECULAR MODEL; PHASE SEPARATION; POLYMERIZATION; STATISTICAL ANALYSIS; THERMODYNAMICS; VAPOR PRESSURE;

EID: 0037454105     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie020509y     Document Type: Article

References (24)

1. Vieweg, R.; Schlay, A.; Schwarz, A. Kunststoff-Handbuch Band IV, Polyolefine; Carl Hauser Verlag: München, Germany, 1969.
2. Elvers, B.; Hawkins, S.; Schulz, G. Ullmann's Encyclopedia of Industrial Chemistry, Volume A21: Plastics, Properties and Testing to Polyvinyl Compounds; VCH Verlagsgesellschaft mbH: Weinheim, Germany, 1992.
3. Song, Y.; Hino, T.; Lambert, S. M.; Prausnitz, J. M. Liquid- liquid equilibria for polymer solutions and blends, including copolymers. Fluid Phase Equilib. 1996, 117, 69.
4. Gupta, R. B.; Prausnitz, J. M. Vapor-liquid equilibria for copolymer/solvent systems: Effect of "intramolecular repulsion". Fluid Phase Equilib. 1996, 117, 77.
5. Hasch, B. M.; Lee, S.-H.; McHugh, M. A. Strength and Limitation of SAFT for Calculating Polar Copolymer-Solvent Phase Behavior. J. Appl. Polym. Sci. 1996, 59, 1107.
6. Gross, J.; Sadowski, G. Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules. Ind. Eng. Chem. Res. 2001, 40, 1244.
7. Gross, J.; Sadowski, G. Modeling Polymer Systems Using the Perturbed-Chain Statistical Associating Fluid Theory Equation of State. Ind. Eng. Chem. Res. 2002, 41, 1084.
8. Gross, J.; Sadowski, G. Application of the Perturbed-Chain SAFT Equation of State to Associating Systems. Ind. Eng. Chem. Res. 2002, 41, 5510.
9. Amos, M. D.; Jackson, G. BHS theory and computer simulations of linear heteronuclear triatomic hard-sphere molecules. Mol. Phys. 1991, 74, 191.
10. Shukla, K. P.; Chapman, W. G. SAFT equation of state for fluid mixtures of hard chain copolymers. Mol. Phys. 1997, 91, 1075.
11. Banaszak, M.; Chen, C. K.; Radosz, M. Copolymer SAFT Equation of State. Thermodynamic Perturbation Theory Extended to Heterobonded Chains. Macromolecules 1996, 29, 6481.
12. Charlet, G.; Delmas, G. Thermodynamic Properties of Polyolefin Solutions at High Temperature: 1. Lower Critical Solubility Temperatures of Polyethylene, Polypropylene and Ethylene-Propylene Copolymers in Hydrocarbon Solvents. Polymer 1981, 22, 1181.
13. Chen, S.-J.; Economou, I. G.; Radosz, M. Density Tuned Polyolefin Phase Equilibria. 1. Binary Solutions of Alternating Poly(ethylene-propylene) in Subcritical and Supercritical Propylene, 1-Butene, and 1-Hexene. Experiment and Flory Patterson Model. Macromolecules 1992, 25, 3089.
14. Chen, S.-J.; Banaszak, M.; Radosz, M. Phase Behavior of Poly(ethylene-1-butene) in Subcritical and Supercritical Propane: Ethyl Branches Reduce Segment Energy and Enhance Miscibility. Macromolecules 1995, 28, 1812.
15. Hasch, B. M.; Meilchen, M. A.; Lee, S.-H.; McHugh, M. A. High-Pressure Phase Behavior of Mixtures of Poly(Ethylene-co-Methyl Acrylate) with Low-Molecular Weight Hydrocarbons. J. Polym. Sci., Part B: Polym. Phys. 1992, 30, 1365.
16. Byun, H.-S.; Hasch, B. M.; McHugh, M. A.; Mähling, F.- O.; Busch, M.; Buback, M. Poly(ethylene-co-butyl acrylate). Phase Behavior in Ethylene Compared to the Poly(ethylene-co-methyl acrylate)-Ethylene System and Aspects of Copolymerization Kinetics at High Pressures. Macromolecules 1996, 29, 1625.
17. Witteman, R. Experimental Phase Behavior and Thermodynamic Modeling of Polymer and Copolymer Solutions Using the Perturbed-Chain SAFT equation of state. Diploma thesis, Delft University of Technologie, The Netherlands, 2001.
18. Jog, P. K.; Chapman, W. G. Application of Wertheim's thermodynamic perturbation theory to dipolar hard sphere chains. Mol. Phys. 1999, 97, 307.
19. Beyer, C.; Oellrich, L. R.; McHugh, M. A. Effect of Copolymer Composition and Solvent Polarity on the Phase Behavior of Mixtures of Poly(ethylene-co-vinyl acetate) with Cyclopentane and Cyclopentene. Chem. Ing. Tech. 1999, 71, 1306.
20. Kraska, Th. Analytic and Fast Numerical Solutions and Approximations for Cross-Association Models within Statistical Association Fluid Theory. Ind. Eng. Chem. Res. 1998, 37, 4889.
21. de Loos, Th. W.; Poot, W.; Diepen, G. A. M. Fluid Phase Equilibria in the System Polyethylene + Ethylene. 1. Systems of Linear Polyethylene + Ethylene at High Pressure. Macromolecules 1983, 16, 111.
22. Müller, C. Untersuchungen zum Phasenverhalten von quasibinären Gemischen aus Ethylen und Ethylen-Copolymeren. Ph.D. Dissertation, Universität Karlsruhe, Karlsruhe, Germany, 1996.
23. Martin, T. M.; Lateef, A. A.; Roberts, C. B. Measurements and modeling of cloud point behavior for polypropylene/n-pentane and polypropylene/n-pentane/carbon dioxide at high pressures. Fluid Phase Equilib. 1999, 154, 241.
24. Koak, N.; Visser, R. M.; de Loos, Th. W. High-pressure phase behavior of the systems polyethylene + ethylene and polybutene + 1-butene. Fluid Phase Equilib. 1999, 158-160, 835.