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On the comparison of pseudo-first order and pseudo-second order rate laws in the modeling of adsorption kinetics

Chemical engineering journal (Lausanne, Switzerland : 1996), 2016-09, Vol.300, p.254-263

Simonin, Jean-Pierre

2016

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On the “Born” term used in thermodynamic models for electrolytes

The Journal of chemical physics, 2019-06, Vol.150 (24), p.244503-244503

Simonin, Jean-Pierre

2019

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Full solution to the mean spherical approximation (MSA) for an arbitrary mixture of ions in a dipolar solvent

The Journal of chemical physics, 2021-09, Vol.155 (11), p.114502-114502

2021

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On the solution of the mean-spherical approximation (MSA) for ions in a dipolar solvent in the general case

AIP advances, 2020-09, Vol.10 (9), p.095213-095213-12

Simonin, Jean-Pierre

2020

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Highly Efficient Separation of Actinides from Lanthanides by a Phenanthroline-Derived Bis-triazine Ligand

Journal of the American Chemical Society, 2011-08, Vol.133 (33), p.13093-13102

2011

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Comment on “Binding Debye–Hückel theory for associative electrolyte solutions” [J. Chem. Phys. 159, 154503 (2023)]

The Journal of chemical physics, 2024-08, Vol.161 (5)

2024

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Modeling of dilution enthalpies within implicit-solvent models for electrolytes

Journal of molecular liquids, 2024-01, Vol.394, p.123801, Article 123801

Simonin, Jean-Pierre

2024

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Further reflections about the “Born” term used in thermodynamic models for electrolytes

Journal of molecular liquids, 2023-06, Vol.380, p.121713, Article 121713

Simonin, Jean-Pierre

2023

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Insight into the ionic atmosphere effect: Comparison of theories for electrolytes at the primitive level

Fluid phase equilibria, 2023-08, Vol.571, p.113805, Article 113805

2023

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Lanthanoids(III) and actinoids(III) in water: Diffusion coefficients and hydration enthalpies from polarizable molecular dynamics simulations

Pure and applied chemistry, 2012-07, Vol.85 (1), p.237-246

2012

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A Simplified Mean Spherical Approximation Model for the Description of Activity Coefficients in Electrolyte Mixtures

Industrial & engineering chemistry research, 2022-09, Vol.61 (35), p.13265-13274

2022

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Determination of Thermodynamic Complexity Constants and Speciation for Multicomplexing Electrolytes within the Mean Spherical Approximation Model

Industrial & engineering chemistry research, 2019-01, Vol.58 (1), p.448-460

Simonin, Jean-Pierre

2019

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Thermodynamic Consistency in the Modeling of Speciation in Self-Complexing Electrolytes

Industrial & engineering chemistry research, 2017-08, Vol.56 (34), p.9721-9733

Simonin, Jean-Pierre

2017

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Chemical potential of an ion in an asymmetric electrolyte within the mean spherical approximation (MSA)

Molecular physics, 2021-12, Vol.119 (24)

2021

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Implementing the Mean Spherical Approximation Model in the Speciation Code CHEAQS Next at High Salt Concentrations

Journal of solution chemistry, 2020-11, Vol.49 (11), p.1319-1327

2020

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Organic electrolyte solutions: Modeling of deviations from ideality within the binding mean spherical approximation

Fluid phase equilibria, 2018-07, Vol.468 (25 July 2018), p.58-69

2018

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Description of electrolytes at high temperatures within the binding mean spherical approximation (BiMSA)

Molecular physics, 2023-12

2023

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Kinetics of Liquid/Liquid Extraction of Europium(III) Cation by Two Malonic Diamides

Solvent extraction and ion exchange, 2014-06, Vol.32 (4), p.365-377

2014

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Inclusion of solvent polarizability in the modeling of ion-dipole mixtures within the mean spherical approximation (MSA)

Journal of molecular liquids, 2022-08, Vol.359, p.119224, Article 119224

2022

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New route to amide-functionalized N-donor ligands enables improved selective solvent extraction of trivalent actinides

Chemical communications (Cambridge, England), 2022-09, Vol.58 (76), p.1667-167

2022

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A New PC-SAFT Model for Pure Water, Water–Hydrocarbons, and Water–Oxygenates Systems and Subsequent Modeling of VLE, VLLE, and LLE

Journal of chemical and engineering data, 2016-12, Vol.61 (12), p.4178-4190

2016

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Local Composition in a Binary Mixture on a One-Dimensional Ising Lattice

Industrial & engineering chemistry research, 2013-07, Vol.52 (27), p.9497-9504

Simonin, Jean-Pierre

2013

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Understanding the synergistic effect on lanthanides(III) solvent extraction by systems combining a malonamide and a dialkyl phosphoric acid

Hydrometallurgy, 2017-05, Vol.169 (Mai 2017), p.542-551

2017

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Nitric acid: modeling osmotic coefficients and acid-base dissociation using the BIMSA theory

Dalton transactions : an international journal of inorganic chemistry, 2010-11, Vol.39 (42), p.10148-10153

2010

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Aqueous solutions of ionic liquids. Description of osmotic coefficients within the Binding Mean Spherical Approximation

The Journal of chemical thermodynamics, 2015-12, Vol.91, p.445-451

2015

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On the comparison of pseudo-first order and pseudo-second order rate laws in the modeling of adsorption kinetics

On the “Born” term used in thermodynamic models for electrolytes

Full solution to the mean spherical approximation (MSA) for an arbitrary mixture of ions in a dipolar solvent

On the solution of the mean-spherical approximation (MSA) for ions in a dipolar solvent in the general case

Highly Efficient Separation of Actinides from Lanthanides by a Phenanthroline-Derived Bis-triazine Ligand

Comment on “Binding Debye–Hückel theory for associative electrolyte solutions” [J. Chem. Phys. 159, 154503 (2023)]

Modeling of dilution enthalpies within implicit-solvent models for electrolytes

Further reflections about the “Born” term used in thermodynamic models for electrolytes

Insight into the ionic atmosphere effect: Comparison of theories for electrolytes at the primitive level

Lanthanoids(III) and actinoids(III) in water: Diffusion coefficients and hydration enthalpies from polarizable molecular dynamics simulations

A Simplified Mean Spherical Approximation Model for the Description of Activity Coefficients in Electrolyte Mixtures

Determination of Thermodynamic Complexity Constants and Speciation for Multicomplexing Electrolytes within the Mean Spherical Approximation Model

Thermodynamic Consistency in the Modeling of Speciation in Self-Complexing Electrolytes

Chemical potential of an ion in an asymmetric electrolyte within the mean spherical approximation (MSA)

Implementing the Mean Spherical Approximation Model in the Speciation Code CHEAQS Next at High Salt Concentrations

Organic electrolyte solutions: Modeling of deviations from ideality within the binding mean spherical approximation

Description of electrolytes at high temperatures within the binding mean spherical approximation (BiMSA)

Kinetics of Liquid/Liquid Extraction of Europium(III) Cation by Two Malonic Diamides

Inclusion of solvent polarizability in the modeling of ion-dipole mixtures within the mean spherical approximation (MSA)

New route to amide-functionalized N-donor ligands enables improved selective solvent extraction of trivalent actinides

A New PC-SAFT Model for Pure Water, Water–Hydrocarbons, and Water–Oxygenates Systems and Subsequent Modeling of VLE, VLLE, and LLE

Local Composition in a Binary Mixture on a One-Dimensional Ising Lattice

Understanding the synergistic effect on lanthanides(III) solvent extraction by systems combining a malonamide and a dialkyl phosphoric acid

Nitric acid: modeling osmotic coefficients and acid-base dissociation using the BIMSA theory

Aqueous solutions of ionic liquids. Description of osmotic coefficients within the Binding Mean Spherical Approximation

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