Skip to main content
Top
Published in: Polymer Bulletin 4/2014

01-04-2014 | Original Paper

Thermodynamic modeling of vapor–liquid equilibrium for binary polyethylene glycol/solvent solutions using cubic equations of state: optimization and comparison of CEoS models

Authors: Ebrahim Ahmadloo, Najmeh Sobhanifar

Published in: Polymer Bulletin | Issue 4/2014

Log in

Activate our intelligent search to find suitable subject content or patents.

search-config
loading …

Abstract

The cubic equation of state (CEoS) is a powerful method for calculation of (vapor + liquid) equilibrium in polymer solutions. Using CEoS for both the vapor and liquid phases allows one to calculate the non-ideality of polymer solutions based on a single EoS approach. In this research, vapor–liquid equilibrium calculations of Polyethylene glycol(Polyethylene oxide)/solvent solutions were carried out. In this approach eight models containing PRSV and SRK CEoS separately combined with four mixing rules namely one-parameter van der Waals one-fluid, two-parameter van der Waals one-fluid (vdW2), Wong–Sandler, and Zhong–Masuoka were applied to calculations of bubble point pressure. For the better prediction, the adjustable binary interaction parameters existing in any mixing rule were optimized. The results were very acceptable and satisfactory. The results of absolute average deviations between predicted results and experimental bubble point pressure data were calculated and presented. Although the capability of two cubic equations of state had a good agreement with experimental data and predict the correct type of phase behavior in all cases, the performance of the PRSV+vdW2 was more reliable than the other models.

Dont have a licence yet? Then find out more about our products and how to get one now:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

  • über 102.000 Bücher
  • über 537 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Maschinenbau + Werkstoffe
  • Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 390 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Maschinenbau + Werkstoffe




 

Jetzt Wissensvorsprung sichern!

Appendix
Available only for authorised users
Literature
1.
go back to reference Tsivintzelis I, Kontogeorgis GM (2009) Modeling the vapor–liquid equilibria of polymer–solvent mixtures: systems with complex hydrogen bonding behavior. Fluid Phase Equil 280:100CrossRef Tsivintzelis I, Kontogeorgis GM (2009) Modeling the vapor–liquid equilibria of polymer–solvent mixtures: systems with complex hydrogen bonding behavior. Fluid Phase Equil 280:100CrossRef
2.
go back to reference Ho DL, Hammouda B, Kline SR, Chen WR (2006) Unusual phase behavior in mixtures of poly(ethylene oxide) and ethyl alcohol. J Polym Sci 44:557CrossRef Ho DL, Hammouda B, Kline SR, Chen WR (2006) Unusual phase behavior in mixtures of poly(ethylene oxide) and ethyl alcohol. J Polym Sci 44:557CrossRef
3.
go back to reference Kahovec J, Fox RB, Hatada K (2002) Nomenclature of regular single-strand organic polymers (IUPAC Recommendations 2002). Pure Appl Chem 74:1921CrossRef Kahovec J, Fox RB, Hatada K (2002) Nomenclature of regular single-strand organic polymers (IUPAC Recommendations 2002). Pure Appl Chem 74:1921CrossRef
4.
go back to reference French AC, Thompson AL, Davis BG (2009) High-purity discrete PEG-oligomer crystals allow structural insight. Angew Chem Int Ed 48:1248CrossRef French AC, Thompson AL, Davis BG (2009) High-purity discrete PEG-oligomer crystals allow structural insight. Angew Chem Int Ed 48:1248CrossRef
5.
go back to reference Smolinske, Susan C (1992) Handbook of food, drug, and cosmetic excipients. CRC Press, Boca Raton Smolinske, Susan C (1992) Handbook of food, drug, and cosmetic excipients. CRC Press, Boca Raton
6.
go back to reference Spinardi, Graham (1994) From Polaris to trident: the development of US fleet ballistic missile technology. Cambridge Univ Press, CambridgeCrossRef Spinardi, Graham (1994) From Polaris to trident: the development of US fleet ballistic missile technology. Cambridge Univ Press, CambridgeCrossRef
7.
go back to reference Gupta RB, Prausnitz JM (1996) Vapor–liquid equilibria of copolymer+ solvent and homopolymer+ solvent binaries: new experimental data and their correlation. J Chem Eng Data 40:784CrossRef Gupta RB, Prausnitz JM (1996) Vapor–liquid equilibria of copolymer+ solvent and homopolymer+ solvent binaries: new experimental data and their correlation. J Chem Eng Data 40:784CrossRef
8.
go back to reference Se RAG, Aznar M (2007) Vapor–liquid equilibrium of polymer+ solvent systems: experimental data and thermodynamic modeling. Polymer 48:5646CrossRef Se RAG, Aznar M (2007) Vapor–liquid equilibrium of polymer+ solvent systems: experimental data and thermodynamic modeling. Polymer 48:5646CrossRef
9.
go back to reference Pasquali I, Bettini R (2008) Review: are pharmaceutics really going supercritical? Int J Pharm 364:176CrossRef Pasquali I, Bettini R (2008) Review: are pharmaceutics really going supercritical? Int J Pharm 364:176CrossRef
10.
go back to reference Romero RB, Leite CAP, Gonçalves MDC (2009) The effect of the solvent on the morphology of cellulose acetate/montmorillonite nanocomposites. Polymer 50:161CrossRef Romero RB, Leite CAP, Gonçalves MDC (2009) The effect of the solvent on the morphology of cellulose acetate/montmorillonite nanocomposites. Polymer 50:161CrossRef
11.
go back to reference Tsivintzelis I, Marras SI, Zuburtikudis I, Panayiotou C (2007) Porous poly(l-lactic acid) nanocomposite ncaffolds prepared by phase inversion using supercritical CO2 as anti-solvent. Polymer 48:6311CrossRef Tsivintzelis I, Marras SI, Zuburtikudis I, Panayiotou C (2007) Porous poly(l-lactic acid) nanocomposite ncaffolds prepared by phase inversion using supercritical CO2 as anti-solvent. Polymer 48:6311CrossRef
12.
go back to reference Ho Chang B, Chan Bae Y (2002) Vapor–liquid equilibria and liquid–liquid equilibria calculations of binary polymer solutions. Polymer 43:6627CrossRef Ho Chang B, Chan Bae Y (2002) Vapor–liquid equilibria and liquid–liquid equilibria calculations of binary polymer solutions. Polymer 43:6627CrossRef
13.
go back to reference Hirano T, Kamikubo T, Fujioka Y, Sato T (2008) Hydrogen-bond-assisted of N-isopropylacrylamide: the solvent effect on the stereospecificity. Eur Polym J 44:1053CrossRef Hirano T, Kamikubo T, Fujioka Y, Sato T (2008) Hydrogen-bond-assisted of N-isopropylacrylamide: the solvent effect on the stereospecificity. Eur Polym J 44:1053CrossRef
14.
go back to reference Striolo A, Prausnitz JM (2000) Vapor–liquid equilibria for some concentrated aqueous polymer solutions. Polymer 41:1109CrossRef Striolo A, Prausnitz JM (2000) Vapor–liquid equilibria for some concentrated aqueous polymer solutions. Polymer 41:1109CrossRef
15.
go back to reference Lieu JG, Prausnitz JM, Gauthier M (2000) Vapor–liquid equilibria for binary solutions of arborescent and linear polystyrenes. Polymer 41:219CrossRef Lieu JG, Prausnitz JM, Gauthier M (2000) Vapor–liquid equilibria for binary solutions of arborescent and linear polystyrenes. Polymer 41:219CrossRef
16.
go back to reference Fornasiero F, Halim M, Prausnitz JM (2000) Vapor–sorption equilibria for 4-vinylpyridine-based copolymer and cross-linked polymer/alcohol systems. Effect of intramolecular repulsion. Macromolecules 33:8435CrossRef Fornasiero F, Halim M, Prausnitz JM (2000) Vapor–sorption equilibria for 4-vinylpyridine-based copolymer and cross-linked polymer/alcohol systems. Effect of intramolecular repulsion. Macromolecules 33:8435CrossRef
17.
go back to reference Kruger KM, Pfohl O, Dohrn R, Sadowski G (2006) Phase equilibria and diffusion coefficients in the poly(dimethylsiloxane) plus n-pentane system. Fluid Phase Equil 241:138CrossRef Kruger KM, Pfohl O, Dohrn R, Sadowski G (2006) Phase equilibria and diffusion coefficients in the poly(dimethylsiloxane) plus n-pentane system. Fluid Phase Equil 241:138CrossRef
18.
go back to reference Radfarnia HR, Taghikhani V, Ghotbi C, Khoshkbarchi MK (2004) A free-volume modification of GEM-QC to correlate VLE and LLE in polymer solutions. J Chem Thermodynam 36:409CrossRef Radfarnia HR, Taghikhani V, Ghotbi C, Khoshkbarchi MK (2004) A free-volume modification of GEM-QC to correlate VLE and LLE in polymer solutions. J Chem Thermodynam 36:409CrossRef
19.
go back to reference Valderrama JO (2003) The state of the cubic equations of state. Ind Eng Chem Res 42:1603CrossRef Valderrama JO (2003) The state of the cubic equations of state. Ind Eng Chem Res 42:1603CrossRef
20.
go back to reference Voutsas E, Kalospiros NS, Tassios D (1995) A combinatorial activity coefficient expression for symmetric and asymmetric mixtures. Fluid Phase Equil 109:1CrossRef Voutsas E, Kalospiros NS, Tassios D (1995) A combinatorial activity coefficient expression for symmetric and asymmetric mixtures. Fluid Phase Equil 109:1CrossRef
21.
go back to reference Zhong C, Masuoka H (1996) A new mixing rule for cubic equations of state and its application to vapor–liquid equilibria of polymer solutions. Fluid Phase Equil 123:59CrossRef Zhong C, Masuoka H (1996) A new mixing rule for cubic equations of state and its application to vapor–liquid equilibria of polymer solutions. Fluid Phase Equil 123:59CrossRef
22.
go back to reference Voutsas E, Magoulas K, Tassios D (2004) A universal mixing rule for cubic equations of state applicable to symmetric and asymmetric systems: results with the Peng–Robinson equation of state. Ind Eng Chem Res 43:6238CrossRef Voutsas E, Magoulas K, Tassios D (2004) A universal mixing rule for cubic equations of state applicable to symmetric and asymmetric systems: results with the Peng–Robinson equation of state. Ind Eng Chem Res 43:6238CrossRef
23.
go back to reference Wang LS (2007) Calculation of vapor–liquid equilibria of polymer solutions and gas solubilities in molten polymers based on PSRK equation of state. Fluid Phase Equil 260:105CrossRef Wang LS (2007) Calculation of vapor–liquid equilibria of polymer solutions and gas solubilities in molten polymers based on PSRK equation of state. Fluid Phase Equil 260:105CrossRef
24.
go back to reference Louli V, Tassios D (2000) Vapor–liquid equilibrium in polymer–solvent systems with a cubic equation of state. Fluid Phase Equil 168:165CrossRef Louli V, Tassios D (2000) Vapor–liquid equilibrium in polymer–solvent systems with a cubic equation of state. Fluid Phase Equil 168:165CrossRef
25.
go back to reference Stryjek R, Vera JH (1986) PRSV: an improved Peng–Robinson equation of state for pure compounds and mixtures. Canad J Chem Eng 64:323CrossRef Stryjek R, Vera JH (1986) PRSV: an improved Peng–Robinson equation of state for pure compounds and mixtures. Canad J Chem Eng 64:323CrossRef
26.
go back to reference Soave G (1972) Equilibrium constants from a modified Redlich–Kwong equation of state. Chem Eng Sci 27:1197CrossRef Soave G (1972) Equilibrium constants from a modified Redlich–Kwong equation of state. Chem Eng Sci 27:1197CrossRef
27.
go back to reference Kontogeorgis GM, Fredenslund A, Economou IG, Tassios DP (1994) Equations of state and activity coefficient models for vapor–liquid equilibria of polymer solutions. AIChE J 40:1711CrossRef Kontogeorgis GM, Fredenslund A, Economou IG, Tassios DP (1994) Equations of state and activity coefficient models for vapor–liquid equilibria of polymer solutions. AIChE J 40:1711CrossRef
28.
go back to reference Wong SH, Sandler SIA (1992) Theoretically correct mixing rule for cubic equations of state. AIChE J 38:671CrossRef Wong SH, Sandler SIA (1992) Theoretically correct mixing rule for cubic equations of state. AIChE J 38:671CrossRef
29.
go back to reference Haghtalab A, Espanani R (2004) A new model and extension of Wong–Sandler mixing rule for prediction of (vapour + liquid) equilibrium of polymer solutions using EoS/GE. J Chem Thermodynam 36:901CrossRef Haghtalab A, Espanani R (2004) A new model and extension of Wong–Sandler mixing rule for prediction of (vapour + liquid) equilibrium of polymer solutions using EoS/GE. J Chem Thermodynam 36:901CrossRef
Metadata
Title
Thermodynamic modeling of vapor–liquid equilibrium for binary polyethylene glycol/solvent solutions using cubic equations of state: optimization and comparison of CEoS models
Authors
Ebrahim Ahmadloo
Najmeh Sobhanifar
Publication date
01-04-2014
Publisher
Springer Berlin Heidelberg
Published in
Polymer Bulletin / Issue 4/2014
Print ISSN: 0170-0839
Electronic ISSN: 1436-2449
DOI
https://doi.org/10.1007/s00289-014-1100-y

Other articles of this Issue 4/2014

Polymer Bulletin 4/2014 Go to the issue

Premium Partners