Hybridizing SAFT and cubic EOS: What can be achieved?

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Abstract

This study deals with creating a concept of the hybrid model gathering the advantages of both cubic EOS and SAFT approaches. The proposed idea is a revision of the Chapmans et al. SAFT by addressing the problem of its numerical pitfalls and the issue of the space available for dispersive interactions with further attaching the SAFT part by the cubic EOSs cohesive term. It is demonstrated that the resulting model on one hand preserves the characteristic for SAFT accuracy in estimating the liquid compressibility, and on the other one - the characteristic for cubic equations capability of simultaneous modeling of critical and subcritical data. Moreover, on the basis of the comprehensive set of thermodynamic properties of 8 challenging for modeling compounds (including n-hexatriacontane, water, and methanol) it has been demonstrated that the proposed EOS has a superiority comparing even to one of the most successful versions of SAFT such as the SAFT-VR-Mie.

Original languageEnglish
Pages (from-to)4183-4198
Number of pages16
JournalIndustrial and Engineering Chemistry Research
Volume50
Issue number7
DOIs
StatePublished - 6 Apr 2011

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • General Chemical Engineering
  • Industrial and Manufacturing Engineering

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