This case study shows how molecular modeling allows to characterized the performance of lubricant additives. It studies the adsorption and the subsequent friction reduction of three organic friction modifiers (OFM): glycerol monooleate, glycerol monoostearate and stearic acid. Adsorption and macroscopic friction are determined by processes at the smallest (atomic) scale, thus molecular simulations can be used to study these phenomena via a systematic computational approach.
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