Molecular thermodynamic modeling of aqueous Na                         +                         -K                         +                         -Mg                         2+                         -Ca                         2+                         -SO                         4                                                                              2−                          quinary system

Sheik Tanveer; Chau Chyun Chen

doi:10.1016/j.fluid.2019.03.006

Molecular thermodynamic modeling of aqueous Na ⁺ -K ⁺ -Mg ²⁺ -Ca ²⁺ -SO ₄ ²⁻ quinary system

Sheik Tanveer, Chau Chyun Chen

Chemical Engineering

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

As part of the effort to develop a comprehensive molecular thermodynamic model for high salinity produced water based on the electrolyte nonrandom two-liquid theory, this work presents the model results for the aqueous Na ⁺ -K ⁺ -Mg ²⁺ -Ca ²⁺ -SO ₄ ²⁻ quinary system. With the binary interaction parameters fully parameterized for the water-electrolyte pairs and the electrolyte-electrolyte pairs, the model satisfactorily describes the thermodynamic properties for the aqueous quinary system and its binary, ternary, and quaternary subsystems for the temperature range 273.15–473.15 K and the salt concentrations up to saturation. The model results are compared with the salt solubility and thermodynamic data available for the subsystems with special attention to systems involving (Ca ²⁺ SO ₄ ²⁻ ).

Original language	English
Pages (from-to)	77-87
Number of pages	11
Journal	Fluid Phase Equilibria
Volume	491
DOIs	https://doi.org/10.1016/j.fluid.2019.03.006
State	Published - Jul 1 2019

Keywords

Aqueous electrolytes
Electrolyte NRTL model
High salinity brine solutions
Solubility
Thermodynamic properties

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Tanveer, S., & Chen, C. C. (2019). Molecular thermodynamic modeling of aqueous Na ⁺ -K ⁺ -Mg ²⁺ -Ca ²⁺ -SO ₄ ²⁻ quinary system Fluid Phase Equilibria, 491, 77-87. https://doi.org/10.1016/j.fluid.2019.03.006

Tanveer, Sheik ; Chen, Chau Chyun. / Molecular thermodynamic modeling of aqueous Na ⁺ -K ⁺ -Mg ²⁺ -Ca ²⁺ -SO ₄ ²⁻ quinary system In: Fluid Phase Equilibria. 2019 ; Vol. 491. pp. 77-87.

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title = " Molecular thermodynamic modeling of aqueous Na + -K + -Mg 2+ -Ca 2+ -SO 4 2− quinary system ",

abstract = " As part of the effort to develop a comprehensive molecular thermodynamic model for high salinity produced water based on the electrolyte nonrandom two-liquid theory, this work presents the model results for the aqueous Na + -K + -Mg 2+ -Ca 2+ -SO 4 2− quinary system. With the binary interaction parameters fully parameterized for the water-electrolyte pairs and the electrolyte-electrolyte pairs, the model satisfactorily describes the thermodynamic properties for the aqueous quinary system and its binary, ternary, and quaternary subsystems for the temperature range 273.15–473.15 K and the salt concentrations up to saturation. The model results are compared with the salt solubility and thermodynamic data available for the subsystems with special attention to systems involving (Ca 2+ SO 4 2− ). ",

keywords = "Aqueous electrolytes, Electrolyte NRTL model, High salinity brine solutions, Solubility, Thermodynamic properties",

author = "Sheik Tanveer and Chen, {Chau Chyun}",

year = "2019",

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doi = "10.1016/j.fluid.2019.03.006",

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Tanveer, S & Chen, CC 2019, ' Molecular thermodynamic modeling of aqueous Na ⁺ -K ⁺ -Mg ²⁺ -Ca ²⁺ -SO ₄ ²⁻ quinary system ', Fluid Phase Equilibria, vol. 491, pp. 77-87. https://doi.org/10.1016/j.fluid.2019.03.006

Molecular thermodynamic modeling of aqueous Na ⁺ -K ⁺ -Mg ²⁺ -Ca ²⁺ -SO ₄ ²⁻ quinary system . / Tanveer, Sheik; Chen, Chau Chyun.

In: Fluid Phase Equilibria, Vol. 491, 01.07.2019, p. 77-87.

Research output: Contribution to journal › Article › peer-review

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T1 - Molecular thermodynamic modeling of aqueous Na + -K + -Mg 2+ -Ca 2+ -SO 4 2− quinary system

AU - Tanveer, Sheik

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N2 - As part of the effort to develop a comprehensive molecular thermodynamic model for high salinity produced water based on the electrolyte nonrandom two-liquid theory, this work presents the model results for the aqueous Na + -K + -Mg 2+ -Ca 2+ -SO 4 2− quinary system. With the binary interaction parameters fully parameterized for the water-electrolyte pairs and the electrolyte-electrolyte pairs, the model satisfactorily describes the thermodynamic properties for the aqueous quinary system and its binary, ternary, and quaternary subsystems for the temperature range 273.15–473.15 K and the salt concentrations up to saturation. The model results are compared with the salt solubility and thermodynamic data available for the subsystems with special attention to systems involving (Ca 2+ SO 4 2− ).

AB - As part of the effort to develop a comprehensive molecular thermodynamic model for high salinity produced water based on the electrolyte nonrandom two-liquid theory, this work presents the model results for the aqueous Na + -K + -Mg 2+ -Ca 2+ -SO 4 2− quinary system. With the binary interaction parameters fully parameterized for the water-electrolyte pairs and the electrolyte-electrolyte pairs, the model satisfactorily describes the thermodynamic properties for the aqueous quinary system and its binary, ternary, and quaternary subsystems for the temperature range 273.15–473.15 K and the salt concentrations up to saturation. The model results are compared with the salt solubility and thermodynamic data available for the subsystems with special attention to systems involving (Ca 2+ SO 4 2− ).

KW - Aqueous electrolytes

KW - Electrolyte NRTL model

KW - High salinity brine solutions

KW - Solubility

KW - Thermodynamic properties

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Tanveer S, Chen CC. Molecular thermodynamic modeling of aqueous Na ⁺ -K ⁺ -Mg ²⁺ -Ca ²⁺ -SO ₄ ²⁻ quinary system Fluid Phase Equilibria. 2019 Jul 1;491:77-87. https://doi.org/10.1016/j.fluid.2019.03.006