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Gibbs Energy Minimization Model for Solvent Extraction with Application to Rare-Earths Recovery

Environmental science & technology, 2019-07, Vol.53 (13), p.7736-7745

2019

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Polymorphism and phase transitions in Na2U2O7 from density functional perturbation theory

Physical chemistry chemical physics : PCCP, 2023-06, Vol.25 (25), p.16727-16734

2023

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Relationship between crystal structure and thermo-mechanical properties of kaolinite clay: beyond standard density functional theory

Dalton transactions : an international journal of inorganic chemistry, 2015-07, Vol.44 (28), p.1255-1256

2015

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Chemical thermodynamic data. 1. The concept of links to the chemical elements and the historical development of key thermodynamic data

Geochimica et cosmochimica acta, 2017-09, Vol.213, p.635-676

2017

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Structure-thermodynamics relationship of schoepite from first-principles

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (46), p.25569-25576

2019

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Structures of uranyl peroxide hydrates: a first-principles study of studtite and metastudtite

Dalton transactions : an international journal of inorganic chemistry, 2012-08, Vol.41 (32), p.9748-9752

2012

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On the role of strong electron correlations in the surface properties and chemistry of uranium dioxide

Dalton transactions : an international journal of inorganic chemistry, 2013-04, Vol.42 (13), p.457-4578

2013

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Control of Structural Hydrophobicity and Cation Solvation on Interlayer Water Transport during Clay Dehydration

Nano letters, 2022-04, Vol.22 (7), p.2740-2747

2022

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Polymorphism and phase transitions in Na 2 U 2 O 7 from density functional perturbation theory

Physical chemistry chemical physics : PCCP, 2023-06, Vol.25 (25), p.16727-16734

2023

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Swelling Properties of Montmorillonite and Beidellite Clay Minerals from Molecular Simulation: Comparison of Temperature, Interlayer Cation, and Charge Location Effects

Journal of physical chemistry. C, 2015-09, Vol.119 (36), p.20880-20891

2015

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Modeling of Liquid-Liquid Extraction (LLE) Equilibria Using Gibbs Energy Minimization (GEM) for the System TBP-HNO3-UO2-H2O-Diluent

Solvent extraction and ion exchange, 2013-10, Vol.31 (6), p.634-651

2013

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Experimental and modeling study of calcium carbonate precipitation and its effects on the degradation of oil well cement during carbonated brine exposure

Cement and concrete research, 2018-11, Vol.113, p.1-12

2018

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Development of a consistent geochemical model of the Mg(OH)2–MgCl2–H2O system from 25°C to 120°C

Applied geochemistry, 2024-08, Vol.169 (169), p.106032, Article 106032

2024

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Polymorphism and phase transitions in NaUO from density functional perturbation theory

Physical chemistry chemical physics : PCCP, 2023-06, Vol.25 (25), p.16727-16734

2023

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Fast Advective Water Flow Through Nanochannels in Clay Interlayers: Implications for Moisture Transport in Soils and Unconventional Oil/Gas Production

ACS applied nano materials, 2020-12, Vol.3 (12), p.11897-11905

2020

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Corrosion of copper and authigenic sulfide mineral growth in hydrothermal bentonite experiments

Journal of nuclear materials, 2017-03, Vol.485, p.137-146

2017

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Structure–thermodynamics relationship of schoepite from first-principles

Physical chemistry chemical physics : PCCP, 2019-09, Vol.21 (46)

2019

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Nonlinear dynamics and instability of aqueous dissolution of silicate glasses and minerals

Scientific reports, 2016-07, Vol.6 (1), p.30256-30256, Article 30256

2016

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Experimental and modeling study of calcium carbonate precipitation and its effects on the degradation of oil well cement during carbonated brine exposure

Cement and concrete research, 2018-07, Vol.113

2018

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Thermodynamic properties of metaschoepite predicted from density functional perturbation theory

Chemical physics letters, 2020-10, Vol.757, p.137878, Article 137878

2020

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Low hydrogen solubility in clay interlayers limits gas loss in hydrogen geological storage

Sustainable energy & fuels, 2023-07, Vol.7 (14), p.3232-3238

2023

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Natural carbonation of portland cement with synthetic zeolite Y as a supplementary cementitious material

Construction & building materials, 2024-04, Vol.425 (C), p.136068, Article 136068

2024

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Modeling of Liquid-Liquid Extraction (LLE) Equilibria Using Gibbs Energy Minimization (GEM) for the System TBP–HNO 3 –UO 2 –H 2 O–Diluent

Solvent extraction and ion exchange, 2013-10, Vol.31 (6), p.634-651

2013

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First-principles study of anhydrite, polyhalite and carnallite

Chemical physics letters, 2014-02, Vol.594, p.1-5

2014

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Structures of uranyl peroxide hydrates: a first-principles study of studtite and metastudtiteElectronic supplementary information (ESI) available: Crystallographic information file of metastudtite. For crystallographic data in CIF or other electronic format see DOI: 10.1039/c2dt31242e

2012-07

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Gibbs Energy Minimization Model for Solvent Extraction with Application to Rare-Earths Recovery

Polymorphism and phase transitions in Na2U2O7 from density functional perturbation theory

Relationship between crystal structure and thermo-mechanical properties of kaolinite clay: beyond standard density functional theory

Chemical thermodynamic data. 1. The concept of links to the chemical elements and the historical development of key thermodynamic data

Structure-thermodynamics relationship of schoepite from first-principles

Structures of uranyl peroxide hydrates: a first-principles study of studtite and metastudtite

On the role of strong electron correlations in the surface properties and chemistry of uranium dioxide

Control of Structural Hydrophobicity and Cation Solvation on Interlayer Water Transport during Clay Dehydration

Polymorphism and phase transitions in Na 2 U 2 O 7 from density functional perturbation theory

Swelling Properties of Montmorillonite and Beidellite Clay Minerals from Molecular Simulation: Comparison of Temperature, Interlayer Cation, and Charge Location Effects

Modeling of Liquid-Liquid Extraction (LLE) Equilibria Using Gibbs Energy Minimization (GEM) for the System TBP-HNO3-UO2-H2O-Diluent

Experimental and modeling study of calcium carbonate precipitation and its effects on the degradation of oil well cement during carbonated brine exposure

Development of a consistent geochemical model of the Mg(OH)2–MgCl2–H2O system from 25°C to 120°C

Polymorphism and phase transitions in NaUO from density functional perturbation theory

Fast Advective Water Flow Through Nanochannels in Clay Interlayers: Implications for Moisture Transport in Soils and Unconventional Oil/Gas Production

Corrosion of copper and authigenic sulfide mineral growth in hydrothermal bentonite experiments

Structure–thermodynamics relationship of schoepite from first-principles

Nonlinear dynamics and instability of aqueous dissolution of silicate glasses and minerals

Experimental and modeling study of calcium carbonate precipitation and its effects on the degradation of oil well cement during carbonated brine exposure

Thermodynamic properties of metaschoepite predicted from density functional perturbation theory

Low hydrogen solubility in clay interlayers limits gas loss in hydrogen geological storage

Natural carbonation of portland cement with synthetic zeolite Y as a supplementary cementitious material

Modeling of Liquid-Liquid Extraction (LLE) Equilibria Using Gibbs Energy Minimization (GEM) for the System TBP–HNO 3 –UO 2 –H 2 O–Diluent

First-principles study of anhydrite, polyhalite and carnallite

Structures of uranyl peroxide hydrates: a first-principles study of studtite and metastudtiteElectronic supplementary information (ESI) available: Crystallographic information file of metastudtite. For crystallographic data in CIF or other electronic format see DOI: 10.1039/c2dt31242e

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