Abstract
From corrosion inhibition to lubrication, a detailed understanding of the interactions between surfactants and iron oxide surfaces is critical for a range of industrial applications. However, there...
Highlights
Understanding the nature and strength of surfactant adsorption on iron oxide surfaces is important for a range of applications, from stabilizing iron oxide nanoparticles for use as biomarkers and catalysts[1] to extracting iron ore for steel production[2] and to protecting surfaces for corrosion inhibition.[3]
Since the density functional theory (DFT) calculations were performed at 0 K, it is noteworthy that the adsorption energy was shown to be independent of temperature in the tight-binding coupled with classical molecular dynamics (TB/MD) simulations,[34] suggesting that the observed differences originate from the simulation techniques employed rather than the conditions
Density functional theory has been used to study the interaction of three surfactants with an iron oxide surface
Summary
Understanding the nature and strength of surfactant adsorption on iron oxide surfaces is important for a range of applications, from stabilizing iron oxide nanoparticles for use as biomarkers and catalysts[1] to extracting iron ore for steel production[2] and to protecting surfaces for corrosion inhibition.[3] Another prominent application, especially with growing concerns regarding CO2 emissions, is as friction modifiers,[4] which are lubricant additives that reduce friction and wear in machine components and increase the energy efficiency of engineering systems.[5] Within this class of additives, organic friction modifiers (OFMs) are prominent because they are based solely on C, H, O, and N atoms and are not environmentally harmful. Noncorrosive amide and glyceride OFMs are more industrially relevant, and the latter has been shown to give lower friction than carboxylic acids in macroscopic tribology experiments.[7]
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