A series of molecular dynamics simulations have been performed employing PCFF phyllosilicates force field. The interaction energies between water molecules/ammonium ions and the muscovite (0 0 1) surface are computed. Results drawn from the calculation show that ammonium ions have thermodynamic advantages to resist the hydration layer sufficiently for effective flotation to occur. Adsorption sites of water molecules and amine ions have also been considered in detail. (C) 2013 Elsevier Ltd. All rights reserved.