Experimental and Molecular Dynamics Simulations for Investigating the Effect of FattyAcid and Its De

来源 :China Petroleum Processing & Petrochemical Technology | 被引量 : 0次 | 上传用户:happig101
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In this work,fatty acid and its derivatives were adopted as lubricity additives for low sulfur diesel.Tribological evaluation obtained from the High-Frequency Reciprocating Rig(HFRR)apparatus showed that the lubricating performance of the additives increased in the following order:stearic acid>glycol monopalmitate>stearyl alcohol>ethyl palmitate>cetyl ethyl ether.The adsorption behavior of the additives on Fe(110)surface and Fe2O3(001)surface was investigated by molecular dynamics(MD)simulations to verify their lubricity performance.The results suggested that adsorption energies of the additives on Fe(110)surface are determined by the van der Waals forces,while adsorptions on Fe2O3(001)surface are significantly attributed to the electrostatic attractive forces.Higher values of adsorption energy of the additives on Fe2O3(001)surface indicate that the additive has more efficient lubricity enhancing properties. In this work, fatty acid and its derivatives were taken as lubricity additives for low sulfur diesel. Tribological evaluation obtained from the High-Frequency Reciprocating Rig (HFRR) apparatus showed that the lubricating performance of the additives increased in the following order: stearic acid> glycol monopalmitate> stearyl alcohol> ethyl palmitate> cetyl ethyl ether. The adsorption behavior of the additives on Fe (110) surface and Fe2O3 (001) surface was investigated by molecular dynamics (MD) simulations to verify their lubricity performance. The results suggested that adsorption energies of the additives on Fe (110) surfaces are determined by the van der Waals forces, while adsorptions on Fe2O3 (001) surfaces are significantly attributed to the electrostatic attractive forces. Height values ​​of adsorption energy of the additives on Fe2O3 (001) surface indicate that the additive has more efficient lubricity enhancing properties.
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