Application of modified PHSC model in prediction of phase behavior of single and mixed electrolyte solutions

Valavi, Masood; Dehghani, Mohammad Reza; Shahriari, Reza

doi:10.1016/j.fluid.2013.01.007

Cited by 20 publications

(11 citation statements)

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“…work for the first strategy, and a comparison between this work and similar works, in the case of second strategy. The comparison of our work and Valavi et al [22] study shows that our work covers more electrolyte systems with better results. Although the Held et al [37] work has better results in comparison with our work, our study could predict preferential results in other temperatures as well as suitable prediction for mixed-salt solutions.…”

Section: Parameter Optimization With Considering Associative Term Fosupporting

confidence: 57%

“…The results of considering two different schemes for water demonstrated that scheme 2B and scheme 4C [39] propounded better results for the first and second strategy, respectively that were consistent with the Ref. [37] and [22] in case of the first strategy and Ref. [40] for the second strategy.…”

Section: Pure Water Parameter Optimizationsupporting

confidence: 56%

“…The capability of the model has been analyzed by a comparison with molar volume and activity coefficients based on the experimental data. Valavi et al [22] investigated the ability of PHSC EOS [23] in the prediction of liquid densities, water activities, osmotic coefficients and MIACs for single and mixed electrolyte solutions. In their work, MSA theory has been used for Coulombic interactions, and their model successfully has reproduced the experimental data.…”

Section: Introductionmentioning

confidence: 99%

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Application of ion-based ePC-SAFT in prediction of density of aqueous electrolyte solutions

Shadloo

Abolala

Peyvandi

2016

Journal of Molecular Liquids

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Section: Parameter Optimization With Considering Associative Term Fosupporting

confidence: 57%

Section: Pure Water Parameter Optimizationsupporting

confidence: 56%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Application of ion-based ePC-SAFT in prediction of density of aqueous electrolyte solutions

Shadloo

Abolala

Peyvandi

2016

Journal of Molecular Liquids

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“…Two methods are commonly used for calculating ion parameters in modeling electrolyte solutions: ion-based and salt-based [38]. In the ion-based method, the ion parameters are transferable among the same ions in different salts, while in the salt-based method salt parameters are unique to specific salts.…”

Section: Ion Parametersmentioning

confidence: 99%

Development of electrolyte SAFT-HR equation of state for single electrolyte solutions

Najafloo

Feyzi

Zoghi³

2014

Korean J. Chem. Eng.

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The explicit version of the mean spherical approximation (MSA) is added to the SAFT-HR equation of state (EoS) to model aqueous alkali halide solutions. The proposed electrolyte equation of state (eEoS) has two parameters per each ion. Two methods are in common use for calculating ion parameters: ion-based and salt-based. In this work, the electrolyte parameters are obtained for 61 single electrolyte solutions using salt-based method. Using this approach, mean ionic activity coefficients of the 61 aqueous electrolyte systems were modeled with overall average absolute relative percent deviation (AAD%) of 3.91. Also, for testing the ability of the model in terms of ionic parameters, six salts (NaCl, NaBr, NaI, KCl, KBr and KI) were studied using ion-based method. The liquid densities, osmotic coefficients and salt mean ionic activity coefficients of 6 aqueous electrolyte solutions were modeled with overall AAD% of 0.68, 2.28 and 0.96, respectively.

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“…Among presented EOSs in the field of electrolyte solutions, just a few ones have focused on calculation of standard state and second order derivative properties. In most cases, prediction of phase equilibrium conditions was the primary goal of previous works . The statistical associating fluid theory (SAFT) EOSs have been also developed to electrolyte solutions.…”

Section: Introductionmentioning

confidence: 99%

Prediction of thermodynamic properties of aqueous electrolyte solutions using equation of state

Shahriari

Dehghani

2017

AIChE Journal

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In this study, a predictive model is presented for estimation of second order thermodynamic properties of electrolyte solutions. In order to provide a comprehensive understanding, the capability of modified electrolyte PC‐SAFT up to high pressure and temperature has been studied. In addition to the first order derivative thermodynamic properties, the Gibbs free energy, enthalpy and heat capacity of aqueous electrolyte solutions at infinite dilution are predicted. Using new methodology, the dielectric constant is modified to keep the pressure, temperature, and ionic strength dependency. Our results show that the Born term has a significant contribution on prediction of second order derivative properties. Meanwhile the impact of temperature‐dependent solution dielectric constant on standard state heat capacity is studied. Finally, the isobaric heat capacity at various salt concentrations is predicted without any adjustable parameters. The results of this work indicate an acceptable agreement with experimental data especially at high pressure and temperature. © 2017 American Institute of Chemical Engineers AIChE J, 2017

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Application of modified PHSC model in prediction of phase behavior of single and mixed electrolyte solutions

Cited by 20 publications

References 50 publications

Application of ion-based ePC-SAFT in prediction of density of aqueous electrolyte solutions

Application of ion-based ePC-SAFT in prediction of density of aqueous electrolyte solutions

Development of electrolyte SAFT-HR equation of state for single electrolyte solutions

Prediction of thermodynamic properties of aqueous electrolyte solutions using equation of state

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