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Prediction of Henry's constant in polymer solutions using PCOR equation of state coupled with an activity coefficient model

Tourani, S ; Sharif University of Technology

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  1. Type of Document: Article
  2. DOI: 10.1016/j.cjche.2014.12.001
  3. Abstract:
  4. In this paper, the polymer chain of rotator (PCOR) equation of state (EOS) was used together with an EOS/GE mixing rule (MHV1) and the Wilson's equation as an excess-Gibbs-energy model in the proposed approach to extend the capability and improve the accuracy of the PCOR EOS for predicting the Henry's constant of solutions containing polymers. The results of the proposed method compared with two equation of state (van der Waals and GC-Flory) and three activity coefficient models (UNIFAC, UNIFAC-FV and Entropic-FV) indicated that the PCOR EOS/Wilson's equation provided more accurate results. The interaction parameters of Wilson's equation were fitted with Henry's constant experimental data and the property parameters of PCOR, a and b, were fitted with experimental volume data (Tait equation). As a result, the present work provided a simple and useful model for prediction of Henry's constant for polymer solutions
  5. Keywords:
  6. Activity coefficient model ; Henry's constant ; Activity coefficients ; Forecasting ; Gibbs free energy ; Phase equilibria ; Van der Waals forces ; Activity coefficient model ; Excess Gibbs energy ; Henry's constants ; Interaction parameters ; Polymer chains ; Tait equation ; Van der waals ; Equations of state
  7. Source: Chinese Journal of Chemical Engineering ; Volume 23, Issue 3 , 2015 , Pages 528-535 ; 10049541 (ISSN)
  8. URL: http://www.sciencedirect.com/science/article/pii/S1004954114002924