Use of Pitzer's model to calculate thermodynamic properties of aqueous electrolyte solutions of Na2SO4+NaCl between 273.15 and 373.15 K

The study and characterization of aqueous solutions are becoming an important research topic because of their central role in many processes. The modeling of these solutions is complicated by different factors: the important number of ionic and nonionic species, the nonideality of aqueous solutions, the appearance and disappearance of thermodynamic phases (solid, vapor) depending on operating conditions. This article presents a general model in dynamic state of aqueous electrolytic system involving liquid, vapor, and solid phases. The mathematical formulation includes: physical and chemical equilibria, mass and energy balances, electroneutrality equation and evaporation equation. The set of equations is solved by the Gear's method. The model is validated by the comparison between modeled results (activity coefficients, solubility, evaporite sequence) and experimental data. One of the purposes of the model will be the simulation of a production process of salt crystals and waters concentrated in minerals of interest. © 2012 American Institute of Chemical Engineers AIChE J, 2012

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“…The general equations of Pitzer model16, 17 are presented below for the activity coefficient calculation of cations C (Eq. 10), anions A (Eq.…”

Section: Thermodynamic Modelsmentioning

confidence: 99%

A general dynamic model for multiphase electrolytic systems

Serin¹,

Cézac²,

Contamine³

et al. 2012

AIChE Journal

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“…(On the left are phase equilibrium parameters obtained as described in the caption of figure 1 and in Hatton & Woods (2007). On the right are parameters obtained directly from the literature (Clauser & Huenges 1995;Lewis (Peggs) 1995McGlashan 1995aMcGlashan ,b (1911 ;Morrell 1995Morrell (1911 ;Phillips 1995aPhillips ,b (1911 ;Richardson 1995Richardson (1911; Marliacy et al 1998;Wheeler & Newman 2004;Ramos et al 2005 …”

Section: Phase Equilibrium Modelmentioning

confidence: 99%

Diffusion-controlled dissolution of a binary solid into a ternary liquid with partially molten zone formation

Hatton

Woods

2008

Proc. R. Soc. A.

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We build a theoretical model of equilibrium dissolution of a homogeneous, solid mixture of two salts A and B, KCl and NaCl being used as the type example, into an aqueous solution of the two salts, with diffusive transport. We find that there are two sharp dissolution fronts, separating fluid, a partially molten zone containing a single solid and mixed solid. The phase change happens almost entirely at the two sharp fronts. In equilibrium, the leading front exhibits a small amount of precipitation of NaCl, simultaneous with complete dissolution of KCl. There is a unique surface in the space of far-field fluid KCl concentration, far-field fluid NaCl concentration and solid composition, dividing conditions where NaCl is the solid in the partially molten zone, from conditions where KCl is the solid in the partially molten zone. The movement rates of the dissolution fronts decrease as the concentration of either salt in the far-field fluid is increased. The movement rates of the dissolution fronts increase as either far-field temperature is increased, but this effect is smaller than that of concentration. In most circumstances, the dissolution front for a given salt moves more slowly, the more of that salt is present in the original solid, although the mass dissolution rate is not greatly affected by the solid composition.

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“…The activity of water was also calculated by Pitzer equation [11]. where M w and φ represent the molecular weight and the osmotic coefficient of water respectively.…”

Section: Theoretical Backgroundmentioning

confidence: 99%

Analysis of ionic equilibria and electrowinning of indium from chloride solutions

Lee

2004

Scand Jof Metallurgy

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The effects of variables on the current efficiency and cell voltage of indium electrowinning from chloride solution have been examined. Ionic equilibria for the InCl3–HCl–NaOH–H2O system at 25°C was analyzed and the experimentally measured pH values agreed well with those calculated from the analysis. The initial pH of electrolyte solution, reaction temperature and current density had negligible effect on the current efficiency and cell voltage increased linearly with increasing current density. In order to achieve current efficiency of 90% at the current density of 100 mA/cm2, the initial concentration of indium and NaCl should be higher than 50 g/L.

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Use of Pitzer's model to calculate thermodynamic properties of aqueous electrolyte solutions of Na2SO4+NaCl between 273.15 and 373.15 K

Cited by 25 publications

References 13 publications

A general dynamic model for multiphase electrolytic systems

A general dynamic model for multiphase electrolytic systems

Diffusion-controlled dissolution of a binary solid into a ternary liquid with partially molten zone formation

Analysis of ionic equilibria and electrowinning of indium from chloride solutions

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