Uncertainties in the Mechanistic Models of the Modified Brine Water-flooding of Chalk

Eftekhari, Ali Akbar; Baghooee, Hadise; Christensen, M. la Cour; Thomsen, Kaj; Nick, Hamidreza M.; Stenby, Erling Halfdan

doi:10.3997/2214-4609.201700271

Cited by 1 publication

(1 citation statement)

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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;…”

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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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