Computer-modeling study of the interactions of Zdol with amorphous carbon surfaces

Abstract

The interfacial interactions between the hydroxyl-terminated perfluoropolyether (PFPE) lubricant Zdol and amorphous carbon surfaces were studied via ab initio calculations. The resultant attractive van der Waals interactions are comparatively weak and insufficient at room temperature to overcome the associated decrease in entropy. Therefore, these interactions will not contribute significantly to the adhesion of PFPE's to the carbon surfaces under disk-driven operating conditions. The primary source of adhesion in the Zdol-CHx complex stems from hydrogen bonding of the hydroxyl end groups of the Zdol lubricant with the carboxylic acid and ketone functionalities on the CHx surface.