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Extending application of Dehaghani Association Equation of State for Modeling Phase Behavior of Water-Alcohol Systems

Saeedi Dehaghani, A. H ; Sharif University of Technology | 2019

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  1. Type of Document: Article
  2. DOI: 10.1016/j.fluid.2018.11.027
  3. Publisher: Elsevier B.V , 2019
  4. Abstract:
  5. This paper concerns extending applicability of Dehaghani association equation of state (in short DA-EOS) to model non-ideality in phase behavior caused by hydrogen bonding. Advantageously, this equation only needs two and one parameters to treat self- and cross association, respectively, which were determined for methanol/water and ethanol/water mixture in this study. In this respect, DA was coupled with PR and SRK EOS to account for physical interaction between molecules. Notably, DA-PR persistently provides more accurate prediction than DA-SRK for both aqueous methanol and ethanol solutions
  6. Keywords:
  7. Alcohol ; Aqueous solution ; Association ; Equation of state ; Thermodynamic model ; Alcohols ; Association reactions ; Ethanol ; Hydrogen bonds ; Methanol ; Solutions ; Accurate prediction ; Association equation of state ; Ethanol solutions ; Ethanol/water mixtures ; Physical interactions ; Self and cross associations ; Equations of state
  8. Source: Fluid Phase Equilibria ; Volume 482 , 2019 , Pages 126-133 ; 03783812 (ISSN)
  9. URL: https://www.sciencedirect.com/science/article/abs/pii/S0378381218304862