Langmuir, Vol.11, No.4, 1072-1074, 1995
Orientation of the COOH Headgroup in Stearic-Acid Monolayers - Rigid Molecules Organization Calculations
The atom-atom potential calculations of stearic acid monolayers have been performed to determine orientations of the COOH headgroup. It is shown that the tilt structure of stearic acid monolayers may be due to a leaning of the COOH headgroup’s plane away from vertical with the crossed conformation (see text).
Keywords:AIR-WATER-INTERFACE;LANGMUIR-BLODGETT-FILMS;X-RAY-DIFFRACTION;AMPHIPHILIC MOLECULES;DYNAMICS;SIMULATION;SURFACE;PHASE