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Adsorption of Aqueous Crude Oil Components on the Basal Surfaces of Clay Minerals: Molecular Simulations Including Salinity and Temperature Effects

Journal of physical chemistry. C, 2017-10, Vol.121 (41), p.22773-22786

2017

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Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure

Journal of physical chemistry. C, 2017-10, Vol.121 (41), p.22787-22796

2017

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Interactions of Kaolin Minerals in the Environment

Elements (Quebec), 2014-06, Vol.10 (3), p.195-200

2014

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The structure and properties of binary zinc phosphate glasses studied by molecular dynamics simulations

Journal of non-crystalline solids, 2003-02, Vol.316 (2), p.261-272

2003

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An interatomic potential model for carbonates allowing for polarization effects

Physics and chemistry of minerals, 2003-08, Vol.30 (7), p.416-424

2003

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Molecular dynamics simulation of the structure and properties of lithium phosphate glasses

Journal of non-crystalline solids, 2000-03, Vol.263, p.167-179

2000

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Molecular Dynamics Simulation of Diffusion and Electrical Conductivity in Montmorillonite Interlayers

Journal of physical chemistry. C, 2016-01, Vol.120 (3), p.1640-1649

2016

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Molecular Controls on Kaolinite Surface Charge

Journal of colloid and interface science, 1996-11, Vol.183 (2), p.356-364

1996

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Molecular Modeling in Mineralogy and Geochemistry

Reviews in mineralogy and geochemistry, 2001-01, Vol.42 (1), p.1-35

Cygan, R. T.

2001

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Mineral dissolution and precipitation during CO2 injection at the Frio-I Brine Pilot: Geochemical modeling and uncertainty analysis

International journal of greenhouse gas control, 2016-01, Vol.44 (C), p.166-174

2016

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The dissolution kinetics of mixed-cation orthosilicate minerals

American journal of science (1880), 1993-11, Vol.293 (9), p.869-893

1993

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Molecular modeling of the structure and dynamics of the interlayer and surface species of mixed-metal layered hydroxides: Chloride and water in hydrocalumite (Friedel’s salt)

The American mineralogist, 2000-07, Vol.85 (7-8), p.1046-1052

2000

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Characterization of Adsorption Sites on Aggregate Soil Samples Using Synchrotron X-ray Computerized Microtomography

Environmental science & technology, 2005-04, Vol.39 (8), p.2679-2685

2005

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Mineral dissolution and precipitation during CO 2 injection at the Frio-I Brine Pilot: Geochemical modeling and uncertainty analysis

International journal of greenhouse gas control, 2016-01, Vol.44

2016

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Mineral dissolution and precipitation during CO2 injection at the Frio-I Brine Pilot: Geochemical modeling and uncertainty analysis

International journal of greenhouse gas control, 2015-12, Vol.44

2015

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Water Structure and Aqueous Uranyl(VI) Adsorption Equilibria onto External Surfaces of Beidellite, Montmorillonite, and Pyrophyllite: Results from Molecular Simulations

Environmental science & technology, 2006-06, Vol.40 (12), p.3865-3871

2006

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Molecular models of a hydrated calcite mineral surface

Geochimica et cosmochimica acta, 2007-12, Vol.71 (24), p.5876-5887

2007

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Molecular models and simulations of layered materials

Journal of materials chemistry, 2009-05, Vol.19 (17), p.2470-2481

2009

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Molecular models of birnessite and related hydrated layered minerals

The American mineralogist, 2012-08, Vol.97 (8-9), p.1505-1514

2012

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Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field

The journal of physical chemistry. B, 2004-01, Vol.108 (4), p.1255-1266

2004

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Molecular dynamics simulations of the lithium coordination environment in phosphate glasses

Physical chemistry chemical physics : PCCP, 2000-01, Vol.2 (19), p.4427-4432

2000

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Structure, Energetics, and Dynamics of Water Adsorbed on the Muscovite (001) Surface: A Molecular Dynamics Simulation

The journal of physical chemistry. B, 2005-08, Vol.109 (33), p.15893-15905

2005

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Evaluation of the elasticity normal to the basal plane of non-expandable 2:1 phyllosilicate minerals by nanoindentation

The American mineralogist, 2010-05, Vol.95 (5-6), p.863-869

2010

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Molecular dynamics simulation of uranyl(VI) adsorption equilibria onto an external montmorillonite surface

Physical chemistry chemical physics : PCCP, 2005-10, Vol.7 (20), p.3580-3586

2005

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Structure of the (1014) surfaces of calcite, dolomite and magnesite under wet and dry conditions

Physical chemistry chemical physics : PCCP, 2001, Vol.3 (5), p.839-844

2001

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Adsorption of Aqueous Crude Oil Components on the Basal Surfaces of Clay Minerals: Molecular Simulations Including Salinity and Temperature Effects

Molecular Dynamics Simulation of Resin Adsorption at Kaolinite Edge Sites: Effect of Surface Deprotonation on Interfacial Structure

Interactions of Kaolin Minerals in the Environment

The structure and properties of binary zinc phosphate glasses studied by molecular dynamics simulations

An interatomic potential model for carbonates allowing for polarization effects

Molecular dynamics simulation of the structure and properties of lithium phosphate glasses

Molecular Dynamics Simulation of Diffusion and Electrical Conductivity in Montmorillonite Interlayers

Molecular Controls on Kaolinite Surface Charge

Molecular Modeling in Mineralogy and Geochemistry

Mineral dissolution and precipitation during CO2 injection at the Frio-I Brine Pilot: Geochemical modeling and uncertainty analysis

The dissolution kinetics of mixed-cation orthosilicate minerals

Molecular modeling of the structure and dynamics of the interlayer and surface species of mixed-metal layered hydroxides: Chloride and water in hydrocalumite (Friedel’s salt)

Characterization of Adsorption Sites on Aggregate Soil Samples Using Synchrotron X-ray Computerized Microtomography

Mineral dissolution and precipitation during CO 2 injection at the Frio-I Brine Pilot: Geochemical modeling and uncertainty analysis

Mineral dissolution and precipitation during CO2 injection at the Frio-I Brine Pilot: Geochemical modeling and uncertainty analysis

Water Structure and Aqueous Uranyl(VI) Adsorption Equilibria onto External Surfaces of Beidellite, Montmorillonite, and Pyrophyllite: Results from Molecular Simulations

Molecular models of a hydrated calcite mineral surface

Molecular models and simulations of layered materials

Molecular models of birnessite and related hydrated layered minerals

Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field

Molecular dynamics simulations of the lithium coordination environment in phosphate glasses

Structure, Energetics, and Dynamics of Water Adsorbed on the Muscovite (001) Surface: A Molecular Dynamics Simulation

Evaluation of the elasticity normal to the basal plane of non-expandable 2:1 phyllosilicate minerals by nanoindentation

Molecular dynamics simulation of uranyl(VI) adsorption equilibria onto an external montmorillonite surface

Structure of the (1014) surfaces of calcite, dolomite and magnesite under wet and dry conditions

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