Thermodynamic properties of aqueous solutions of single and multiple salts using the Q-electrolattice equation of state

Zuber, A.; Checoni, Ricardo Figueiredo; Castier, Marcelo

doi:10.1016/j.fluid.2013.10.021

Cited by 20 publications

(19 citation statements)

References 78 publications

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“…The complete development of each term of the Q-electrolattice EOS can be found in detail elsewhere (Zuber et al, 2014).…”

Section: Q-electrolattice Equation Of Statementioning

confidence: 99%

“…The methanol and ethanol representations applied in this work are similar to the water representation used by Zuber et al (2014), in which the solvent molecule is divided into three regions: an electrondonor (α), an electron-acceptor (β), and a dispersion group (D). The solvent parameters were obtained by simultaneous regression of vapor pressure and liquid density data using the MTC EOS.…”

Section: Pure Solventsmentioning

confidence: 99%

“…One of them is that the interactions between solvent regions (α, β, D) and a given ion are equivalent. A complete description of the assumptions is available elsewhere (Zuber et al, 2014). They are also used in this work to fit the parameters of nonaqueous electrolyte solutions.…”

Section: Single Salt Nonaqueous Solutionsmentioning

confidence: 99%

“…Also, the energy interaction parameters increase with increasing diameters for alkali ions in both solvents. Table 4 shows the Pauling's bare ion diameters, and the fitted ionic diameters for use with the Qelectrolattice EOS in aqueous solutions (Zuber et al, 2014) and in methanol or ethanol solutions (present work). The diameters of alkali metals increase in the order (Li + <Na + <K + ) in all cases.…”

Section: Single Salt Nonaqueous Solutionsmentioning

confidence: 99%

“…In this work, the Q-electrolattice EOS, which has been successfully applied to aqueous single and mixed salt solutions (Zuber et al, 2014), is used to correlate thermodynamic properties of single salts in methanol and ethanol solutions. This model consists of the lattice-based Mattedi-Tavares-Castier (MTC) EOS, along with the Born and explicit MSA terms.…”

Section: Introductionmentioning

confidence: 99%

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Thermodynamic Properties of Nonaqueous Single Salt Solutions Using the Q-Electrolattice Equation of State

Zuber

Checoni

Castier

2015

Braz. J. Chem. Eng.

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-The correlation of thermodynamic properties of nonaqueous electrolyte solutions is relevant to design and operation of many chemical processes, as in fertilizer production and the pharmaceutical industry. In this work, the Q-electrolattice equation of state (EOS) is used to model vapor pressure, mean ionic activity coefficient, osmotic coefficient, and liquid density of sixteen methanol and ten ethanol solutions containing single strong 1:1 and 2:1 salts. The Q-electrolattice comprises the lattice-based Mattedi-Tavares-Castier (MTC) EOS, the Born term and the explicit MSA term. The model requires two adjustable parameters per ion, namely the ionic diameter and the solvent-ion interaction energy. Predictions of osmotic coefficient at 298.15 K and liquid density at different temperatures are also presented.

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“…The complete development of each term of the Q-electrolattice EOS can be found in detail elsewhere (Zuber et al, 2014).…”

Section: Q-electrolattice Equation Of Statementioning

confidence: 99%

Section: Pure Solventsmentioning

confidence: 99%

Section: Single Salt Nonaqueous Solutionsmentioning

confidence: 99%

Section: Single Salt Nonaqueous Solutionsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Thermodynamic Properties of Nonaqueous Single Salt Solutions Using the Q-Electrolattice Equation of State

Zuber

Checoni

Castier

2015

Braz. J. Chem. Eng.

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An electrolyte CPA equation of state for mixed solvent electrolytes

2015

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Despite great efforts over the past decades, thermodynamic modeling of electrolytes in mixed solvents is still a challenge today. The existing modeling frameworks based on activity coefficient models are data‐driven and require expert knowledge to be parameterized. It has been suggested that the predictive capabilities could be improved through the development of an electrolyte equation of state. In this work, the Cubic Plus Association (CPA) Equation of State is extended to handle mixtures containing electrolytes by including the electrostatic contributions from the Debye–Hückel and Born terms using a self‐consistent model for the static permittivity. A simple scheme for parameterization of salts with a limited number of parameters is proposed and model parameters for a range of salts are determined from experimental data of activity and osmotic coefficients as well as freezing point depression. Finally, the model is applied to predict VLE, LLE, and SLE in aqueous salt mixtures as well as in mixed solvents. © 2015 American Institute of Chemical Engineers AIChE J, 61: 2933–2950, 2015

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Extension of the electrolyte Trebble–Bishnoi EOS to mixed‐salt systems, and application to vapour liquid and solid (hydrate) vapour liquid equilibrium calculations

Clarke

2022

Can J Chem Eng

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Thermodynamic properties of aqueous solutions of single and multiple salts using the Q-electrolattice equation of state

Cited by 20 publications

References 78 publications

Thermodynamic Properties of Nonaqueous Single Salt Solutions Using the Q-Electrolattice Equation of State

Thermodynamic Properties of Nonaqueous Single Salt Solutions Using the Q-Electrolattice Equation of State

An electrolyte CPA equation of state for mixed solvent electrolytes

Extension of the electrolyte Trebble–Bishnoi EOS to mixed‐salt systems, and application to vapour liquid and solid (hydrate) vapour liquid equilibrium calculations

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