4.5 Article

Modeling aqueous electrolyte solutions - Part 1. Fully dissociated electrolytes

Journal

FLUID PHASE EQUILIBRIA
Volume 270, Issue 1-2, Pages 87-96

Publisher

ELSEVIER SCIENCE BV
DOI: 10.1016/j.fluid.2008.06.010

Keywords

thermodynamic properties; density; vapor-liquid equilibria; mean ionic activity coefficient; equation of state; PC-SAFT; Debye-Huckel; aqueous solutions; binary mixtures; primitive model

Funding

  1. German Society of Industrial Research (AiF) [14778N/3]
  2. German Science Foundation (DFG) [SA 700/7]

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Liquid densities (pvT), vapor pressures (VILE), and mean ionic activity coefficients (MIAC) at 25 degrees C of 115 single-salt electrolyte solutions containing univalent up to trivalent ions are modeled with the ePC-SAFT equation of state proposed by Cameretti et al. [L.F. Cameretti, G. Sadowski, J.M. Mollerup, Ind. Eng. Chem. Res. 44 (2005) 3355-3362; ibid., 8944]. For each ion, only two model parameters were adjusted to experimental density and MIAC data. Without using any additional binary parameters, ePC-SAFT is able to reproduce experimental data of the respective salt solutions up to high electrolyte molalities. Moreover, it is even able to describe the reversed MIAC series for alkali hydroxides and fluorides. (C) 2008 Elsevier B.V. All rights reserved.

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