A new model and extension of Wong-Sandler mixing rule for prediction of (vapour plus liquid) equilibrium of polymer solutions using EOS/G(E)

作者：Haghtalab A^*; Espanani R

来源：Journal of Chemical Thermodynamics, 2004, 36(10): 901-910.

DOI：10.1016/j.jct.2004.06.010

• polymer solution
• (vapour plus liquid) equilibria
• Flory-Huggins-NRTL-NRF model
• Wong-Sandler mixing rule
• PRSV EOS

The cubic equation of state (CEOS) is a powerful method for calculation of (vapour + liquid) equilibrium (VLE) in polymer solutions. Using CEOS for both the vapour and liquid phases allows one to calculate the non-ideality of polymer solutions based on a single EOS approach. However, the traditional mixing rules are not appropriate to extend the CEOS to non-ideal mixtures such as polymer solutions. Several authors have applied the EOS/G(E) approach to predict (vapour + liquid) equilibria in polymer solutions, however, incorporating an appropriate excess Gibbs free energy for the new mixing rule is a major step. In this research, the NRTL-NRF model was extended in terms of volume fraction of polymer and solvent (instead of mole fraction), then equilibrium calculations were carried out using PRSV EOS and Wong-Sandler mixing rules. Using the adjustable parameters as a function of solution temperature, the NRTL-NRF model can be used as a predictive model. In comparison with NRTL model, the results of the new NRTL-NRF model show better accuracy.

• 出版日期2004-10