Vapour-liquid equilibrium for mixed-solvent - strong electrolytes mixtures with EoS/GE models

[Display omitted] •A database with 57 mixed-solvent-strong electrolyte solutions is revisited.•A parameter estimation strategy for large data sets is proposed.•The influence of the Debye-Hückel term is evaluated.•The Heidemann-Kokal, LCVM and Wong-Sandler Mixing Rules are tested.•The approach was su...

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Veröffentlicht in:The Journal of chemical thermodynamics 2021-03, Vol.154, p.106339, Article 106339
Hauptverfasser: Young, André F., Ahón, Victor R.R., Pessoa, Fernando L.P.
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Sprache:eng
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Zusammenfassung:[Display omitted] •A database with 57 mixed-solvent-strong electrolyte solutions is revisited.•A parameter estimation strategy for large data sets is proposed.•The influence of the Debye-Hückel term is evaluated.•The Heidemann-Kokal, LCVM and Wong-Sandler Mixing Rules are tested.•The approach was successful in ELV modeling for concentrations up to 13 molal. In this work, the ϕ-ϕ approach is used to describe the behaviour of vapour-liquid equilibrium of mixed-solvent electrolyte solutions by means of EoS/GE type models. The approach in this article consists in the inclusion of activity coefficient information in the Peng-Robinson equation of state through three different mixing rules: Heidemann-Kokal (HK), LCVM (Linear Combination of Vidal and Michelsen) and Wong-Sandler (WS). The significance of the inclusion of an electrostatic term, from the Debye-Hückel Theory, is also evaluated. An extensive database, containing 57 mixed-solvent-strong electrolyte solutions, is revisited and a parameter estimation strategy proper to be applied in large data sets is proposed. As result, it is shown that this type of model is very successful in the vapour-liquid equilibrium calculations for salt concentrations up to 13 molal, and that the electrostatic term has little significance in this application when the UNIQUAC parameters are re-adjusted.
ISSN:0021-9614
1096-3626
DOI:10.1016/j.jct.2020.106339