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Comparison of molecular dynamics simulations with triple layer and modified Gouy–Chapman models in a 0.1 M NaCl–montmorillonite system

Materials ScienceClay MineralEngineeringTriple LayerGouy–chapman ModelsMineral-fluid InteractionComputational GeochemistryNumerical SimulationMaterial ModelingMaterial SimulationMolecular Dynamics SimulationsInterfacial PhenomenaMolecular SimulationComputational ChemistryChemistryMolecular Dynamics