Solubility Modeling of the Systems Ni(NO3)2–H2O and Fe(NO3)3–Ni(NO3)2–H2O with the Extended Universal Quasichemical (UNIQUAC) Model

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

doi:10.1007/s10953-017-0639-2

Cited by 3 publications

(5 citation statements)

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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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Section: Simulationmentioning

confidence: 99%

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

et al. 2022

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“…In order to prevent the liquid phase formation and to decrease the humidity degree of this hydrate, the thermal decomposition of Ni(NO 3 ) 2 .6H 2 O to Ni(NO 3 ) 2 .4H 2 O was carried out based on the phase diagram of the binary system Ni(NO 3 ) 2 + H 2 O [17][18][19]. For that, a quantity of Ni(NO 3 ) 2 .6H 2 O had dried in a Proofer (P SELECTA) at the temperature of 130 °C for 1 h, the water evaporates leading to the formation of the crystals and their hydration degree is near to the nickel nitrate tetrahydrate at the atmosphere.…”

Section: Elaboration Of Materials and Equipment For Heat Treatmentmentioning

confidence: 99%

“…e aim of our work is the production of mixed product Al 3 Ni. However, for the time of this first heat treatment was revealed insufficient owing to the reaction on the one hand between the alumina and the aluminum carbide Al 4 C 3 following both equations ( 18) and (19). On the other hand, according to the Al-Ni binary phase diagram [34], the interaction between the aluminum and the nickel allowing to produce the stable solid Al 3 Ni.…”

Section: Elaboration Of the Mixed Product Al 3 Ni In Equilibriummentioning

confidence: 99%

“…A large variety of methods were reported for the aluminum alloys Al-Al 3 Ni involving casting [6,[12][13][14][15][16][17][18][19][20][21][22][23][24][25], solidi cation [26][27][28][29], arc melting [28], combustion method [27], aluminothermic reduction [30], mechanical alloying [31], and high-pressure torsion (HPT) [32]. Each of these methods has its advantages depending on the eld of application.…”

Section: Introductionmentioning

confidence: 99%

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Elaboration of the Al-Al3Ni Alloy Eutectic by a Carbothermal Process

Bahaj

Kaddami

Essahli

2022

The Scientific World Journal

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The present study develops an elaborate method of materials Al-Al3Ni by carbothermic reduction of nickel oxide from the decomposition of Ni(NO3)2.4H2O mixed with aluminum powder. This nitrate salt represents the source of nickel for an elaboration of these materials. The thermodynamic parameters adopted in the experimental study were defined based on the liquid-solid phase equilibrium diagram of the binary system Al-Ni and the Ellingham approach. Throughout this study, the metal Ni is elaborated by carbothermic reduction of nickel oxide resulting from nitrate salt decomposition at 900°C under a nitrogen atmosphere. The heat treatment at 900 °C of a mixture of nitrate salt with aluminum powder under an inert gas atmosphere leads to the formation of phases Al2O3, Al4C3, Al, and Ni. The annealing of these obtained phases during 1 h and under a nitrogen flow atmosphere at the temperature of 600°C allowed us to obtain the Al-Al3Ni alloy devoid of oxides. The characterization of these obtained solid phases was carried out by the XRD analysis, the SEM-EDS, the DTA, and the DSC.

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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 Systems Ni(NO3)2–H2O and Fe(NO3)3–Ni(NO3)2–H2O with the Extended Universal Quasichemical (UNIQUAC) Model

Cited by 3 publications

References 10 publications

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

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

Elaboration of the Al-Al3Ni Alloy Eutectic by a Carbothermal Process

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

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