Rational Design of Organic Monolayers for Water Evaporation Mitigation

M. Plazzer, G. Yiapanis, A. Christofferson, I. Yarovsky
RMIT University, AU

Keywords: water evaporation, evaporation supression, molecular simulation


We use classical molecular dynamics to investigate a range of amphiphilic organic molecules and polymers forming protective layers on the surface of water. We demonstrate how surface pressure isotherms can be an indicator of the robustness of the monolayers, that is, their ability to remain closely packed over a range of surface pressures. We show that hydrogen bonding between the monolayer headgroups and the interfacial water layer, as well as between the SAM headgroups play a primary role in anchoring and stability of the monolayers. It is the fine balance between the two types of hydrogen bonding that is crucial for the optimum water evaporation suppressing performance of the organic SAMs.