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Molecular Dynamics Simulations of the Adsorption of Methylene Blue at Clay Mineral Surfaces
Adsorption of Methylene Blue • Clay Cation-Exchange Capacity Determination • Clay Surface-Area Determination • Molecular Dynamics Simulations
2011/12/6
Abstract: Molecular dynamics simulations were performed of the adsorption of methylene blue (MB) on model beidellite, montmorillonite, and muscovite mica surfaces, using a previously determined empiri...
Molecular dynamics simulations of phase transitions and melting in perovskite MgSiO3 at mantle pressures
Molecular dynamics simulations phase transitions MgSiO3
2012/4/1
The high pressure phase transitions and melting of the mantle mineral MgSiO3 with the perovskite structure were investigated using molecular dynamics (MD) simulations of a large system of atoms on a p...
Molecular dynamics simulations of liquids and glasses in the system NaAlSiO4-SiO2: Physical properties and transport mechanisms
Molecular dynamics simulations liquids glasses NaAlSiO4-SiO2 Physical properties transport mechanisms
2012/4/5
Thermodynamic and transport properties often compositions in the binary system NaAISi04-Si02have beendetermined bythe methodofmoleculardynamics simulation.
Thecomputations wereperformed oncollections...
