MDS Analysis of Film Stability and Bubble Attachment at Selected Mineral Surfaces

"Bubble attachment at hydrophobic surfaces is of critical importance in the flotation recovery of mineral resources and fundamental experimental results have been reported in the literature describing the details of film thinning, rupture, and displacement. Now, for the first time, bubble attachment phenomena are examined using Molecular Dynamics Simulations (MDS). The simulation involves a nitrogen bubble containing 906 nitrogen molecules in a water phase with 74,000 water molecules at the hydrophobic molybdenite (001) surface. During the simulation period of 1 ns, film rupture occurs and the nitrogen bubble attaches to the molybdenite (001) surface, resulting in a contact angle of about 90o. In contrast, the film is stable at the hydrophilic quartz (001) surface and the bubble does not attach. Contact angles, determined from MD simulation after stabilization of the three phase line of contact, are reported and these results agree well with experimental and MDS sessile drop results. In this way, film stability and bubble attachment are described with respect to interfacial water structure for surfaces of different polarity. For example, the interfacial water molecules for the hydrophobic molybdenite (001) surface have relatively weak interactions with the surface when compared to the hydrophilic quartz (001) surface, as revealed bythe presence of a 3 A water exclusion zone at the molybdenite/water interface. INTRODUCTIONAttachment of air bubbles to mineral particles is of fundamental importance in understanding flotation separation phenomena. It is well known that attachment of an air bubble at a hydrophobic surface includes film thinning, film rupture, and film displacement (Somasundaran, 2006; Wilson, Adlard, Cooke, & Poole, 2000). Experimental techniques, such as high speed video, can catch the process of bubble attachment at a mineral surface (Drelich & Miller, 2012; Niecikowska, Krasowska, Ralston, & Malysa, 2012). However, molecular scale information to examine the phenomena has not yet been reported."