When water comes in contact with air or another liquid, its properties in the interfacial region become significantly different than in the bulk.  This different behavior results in unique behavior of water itself, but also allows for certain species to have enhanced concentration and reactivity.  Some of these unique behaviors can only be realized with advanced molecular models with many-body potentials, and the ability to transfer charge.  Results utilizing these models will be reported including how the interfacial is affected by the molecular weight of linear alkane in contact with water.  Furthermore, how the aqueous interface is influenced by hydrogen-bonding organic liquids will be described.  Finally, the affect of the air-water interface on ion behavior and the specific charge of interfacial water molecules will be presented.

Elucidating unique behavior at the interface of water

244th National Meeting (2012)

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