Tribochemistry and frictional properties of octene molecules confined between iron oxide surfaces

Abstract

Reactive molecular dynamics simulations were conducted to investigate the tribological behavior between two amorphous iron oxide substrates with octene molecules confined between them. The results revealed that higher temperatures facilitated the degradation and oxidation of octene molecules, leading to an increased quantity of reaction products such as water and oxidation products like alcohols. Due to the obstructive action of water molecules, the octene and its oxidation products were able to adsorb onto the substrate surfaces, resulting in the formation of a stably adsorbed carbon-based tribofilm at elevated temperatures. In addition, the water layer also significantly reduces friction by preventing direct contact between the carbon-based tribofilm, even though only a small amount of octene molecules are present at the interface.