Solubility Modeling of the Binary Systems Fe(NO3)3–H2O, Co(NO3)2–H2O and the Ternary System Fe(NO3)3–Co(NO3)2–H2O with the Extended Universal Quasichemical (UNIQUAC) Model

Arrad, Mouad; Kaddami, Mohammed; Goundali, Bahija El; Thomsen, Kaj

doi:10.1007/s10953-016-0457-y

Cited by 4 publications

(4 citation statements)

References 15 publications

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“…Among them, the solubility data of Al(NO 3 ) 3 at 25 °C is 38.65%, which is in good agreement with previous experimental results, such as 38.37 and 38.67% . However, the solubility of Fe(NO 3 ) 3 at 25 °C is 46.87%, which is different from that in ref (45.9%) or ref (44.1%). This can probably be attributed to the different experimental methods.…”

Section: Resultssupporting

confidence: 87%

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Phase Diagram of the Al(NO₃)₃–Fe(NO₃)₃–H₂O(−HNO₃) System and Its Application in the Separation of Al³⁺ and Fe³⁺

Shi

Shao

et al. 2023

J. Chem. Eng. Data

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An original technology named HNO3 pressure leaching has been proposed by our team to leach Al from coal gangue and fly ash. Although the preliminary separation of Al and Fe had been achieved during leaching, a small amount of Fe impurity was still unavoidably dissolved into the leach liquor. To obtain pure Al2O3 during subsequent pyrolysis, it is imperative to synchronously remove Fe3+ during the crystallization of Al(NO3)3·9H2O. Herein, the phase equilibria of the Al(NO3)3–Fe(NO3)3–H2O(−HNO3) system at 25–40 °C and 0–8.12 mol kg–1 of HNO3 molality were investigated. The results indicated that the ternary system was a simple cosaturated type consisting of an immutable point, two univariate curves, and two crystallization regions. Notably, the solubility and crystallization region of Al(NO3)3·9H2O were barely impacted by acidity, while the opposite was true for Fe(NO3)3·9H2O. This finding was instructive for the crystallization of Fe(NO3)3·9H2O from the liquor with high Fe and low Al. Moreover, a high crystallization yield could be obtained at low temperatures. Finally, an appropriate crystallization procedure was provided. This study is expected to provide basic data and theoretical support for the crystallization and separation of mixed nitrates containing Al and Fe.

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Section: Resultssupporting

confidence: 87%

“…This can probably be attributed to the different experimental methods. ESTIM software was used for parameter estimation in ref , and the conductivity measurement method was adopted in ref , which may be different from the isothermal dissolution equilibrium method used in this paper.…”

Section: Resultsmentioning

confidence: 99%

Phase Diagram of the Al(NO₃)₃–Fe(NO₃)₃–H₂O(−HNO₃) System and Its Application in the Separation of Al³⁺ and Fe³⁺

Shi

Shao

et al. 2023

J. Chem. Eng. Data

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“…The parameters needed for the UNIQUAC model were estimated according to the method developed by Pahlevanzade and Mohseni-Ahooei [41], using as a reference the parameters utilized by Arrad et al [42][43][44], Boulkroune et al [45], Raatikainen and Laaksonen [46] and Thompsen et al [47].…”

Section: Simulationmentioning

confidence: 99%

Simulation of the Biofiltration of Sulfur Compounds: Effect of the Partition Coefficients

et al. 2022

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The effect of the partition coefficient on the simulation of the operation of a biotrickling filter treating a mixture of sulfur compounds was analyzed to evaluate the pertinence of using Henry’s law in determining its removal capacity. The analysis consisted of the simulation of a biotrickling filter that bio-oxides hydrogen sulfide (H2S), dimethyl sulfide (DMS), methyl mercaptan (MM) and dimethyl disulfide (DMDS) using different types of models for determining the partition coefficient: Henry’s law for pure water, Henry’s law adjusted from experimental data, a mixed model (Extended UNIQUAC) and a semi-empirical model of two-parameters. The simulations were compared with experimental data. It was observed that Henry’s law for pure water could produce significant deviations from empirical data due to the liquid phase not being pure water. The two-parameter model better fits with similar results compared to the extended UNIQUAC model, with a lower calculation cost and necessary parameter amount. It shows that semi-empirical models can considerably improve simulation accuracy where complex phase interactions are present.

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“…▪ Prediction of thermal properties and phase behavior of aqueous electrolyte systems (Thomsen et al, 1996). Over the past almost four decades, the extended UNIQUAC model has been further enhanced, extended, parameterized, and applied to various aqueous electrolyte systems and engineering applications (Aronu et al, 2011;Arrad et al, 2016Arrad et al, , 2017Arshad et al, 2016Arshad et al, , 2017Awan et al, 2010;Barzegar-Jalali et al, 2020;Bonalumi et al, 2016;Chakravarty et al, 2015bChakravarty et al, , 2015aChokradjaroen et al, 2012;Christensen & Thomsen, 2003Corrêa et al, 2023;Corrêa, Hao, et al, 2022;Darde et al, 2009Darde et al, , 2011Darde, Maribo-Mogensen, et al, 2012;Eftekhari et al, 2017;Faramarzi, Kontogeorgis, et al, 2009;Faramarzi, Kontogorgis, et al, 2009;Figueroa et al, 2016;Fosbøl et al, 2009aFosbøl et al, , 2009bFosbøl et al, , 2013García et al, 2005bGarcía et al, , 2006bGaspar, Arshad, et al, 2014;Gaspar et al, 2016;Gomis et al, 2022;Haghtalab & Peyvandi, 2012;Hashemi et al, 2020;Hingerl et al, 2014;Iliuta et al, 2000Iliuta et al, , 2002Kontogeorgis et al, 2022;Kovalenko et al, 2011;…”

Section: Introductionmentioning

confidence: 99%

Using Reaktoro for mineral and gas solubility calculations with the Extended UNIQUAC model

M. M. Leal,

Tambach,

Volpatto

et al. 2024

Preprint

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The extended UNIQUAC model is a thermodynamic model able to estimate thermodynamic properties of aqueous electrolyte solutions under a wide range of temperature, pressure, and composition conditions. Thermodynamic properties include species activity coefficients, excess molar Gibbs energy, excess molar enthalpy, excess molar heat capacity. These properties are important for aqueous speciation calculations, mineral and gas solubility computations, chemical kinetic modeling of mineral dissolution and precipitation, and in reactive transport simulations considering chemically complex aqueous electrolyte solutions. In this paper we present a brief literature review on the extended UNIQUAC model, we report on its im-plementation in C++ in the Reaktoro framework for modeling chemically reactive systems, and we show its use from Python for computing mineral and gas solubilities in aqueous solutions at a wide range of temperature, pressure, and salinity conditions. We validated the calculations against experimental data and against results obtained through the software ScaleCERE implementing the extended UNIQUAC model. Our conclusion is that the extended UNIQUAC model has been successfully implemented into the Reaktoro framework, thereby providing a suitable activity model for geochemical and reactive transport modeling.

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Solubility Modeling of the Binary Systems Fe(NO3)3–H2O, Co(NO3)2–H2O and the Ternary System Fe(NO3)3–Co(NO3)2–H2O with the Extended Universal Quasichemical (UNIQUAC) Model

Cited by 4 publications

References 15 publications

Phase Diagram of the Al(NO₃)₃–Fe(NO₃)₃–H₂O(−HNO₃) System and Its Application in the Separation of Al³⁺ and Fe³⁺

Phase Diagram of the Al(NO₃)₃–Fe(NO₃)₃–H₂O(−HNO₃) System and Its Application in the Separation of Al³⁺ and Fe³⁺

Simulation of the Biofiltration of Sulfur Compounds: Effect of the Partition Coefficients

Using Reaktoro for mineral and gas solubility calculations with the Extended UNIQUAC model

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Solubility Modeling of the Binary Systems Fe(NO3)3–H2O, Co(NO3)2–H2O and the Ternary System Fe(NO3)3–Co(NO3)2–H2O with the Extended Universal Quasichemical (UNIQUAC) Model

Cited by 4 publications

References 15 publications

Phase Diagram of the Al(NO3)3–Fe(NO3)3–H2O(−HNO3) System and Its Application in the Separation of Al3+ and Fe3+

Phase Diagram of the Al(NO3)3–Fe(NO3)3–H2O(−HNO3) System and Its Application in the Separation of Al3+ and Fe3+

Simulation of the Biofiltration of Sulfur Compounds: Effect of the Partition Coefficients

Using Reaktoro for mineral and gas solubility calculations with the Extended UNIQUAC model

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Product

Resources

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Phase Diagram of the Al(NO₃)₃–Fe(NO₃)₃–H₂O(−HNO₃) System and Its Application in the Separation of Al³⁺ and Fe³⁺

Phase Diagram of the Al(NO₃)₃–Fe(NO₃)₃–H₂O(−HNO₃) System and Its Application in the Separation of Al³⁺ and Fe³⁺