Experimental and Molecular Dynamics Simulations for Investigating the Effect of Fatty Acid and Its Derivatives on Low Sulfur Diesel Lubricity
Luo Hui; Fan Weiyu; Li Yang; Zhao Pinhui; Nan Guozhi
| HERO ID | 4937037 |
|---|---|
| In Press | No |
| Year | 2013 |
| Title | Experimental and Molecular Dynamics Simulations for Investigating the Effect of Fatty Acid and Its Derivatives on Low Sulfur Diesel Lubricity |
| Authors | Luo Hui; Fan Weiyu; Li Yang; Zhao Pinhui; Nan Guozhi |
| Journal | China Petroleum Processing and Petrochemical Technology |
| Volume | 15 |
| Issue | 3 |
| Page Numbers | 79-85 |
| Abstract | 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. |
| Wosid | WOS:000329990700013 |
| Is Certified Translation | No |
| Dupe Override | No |
| Is Public | Yes |
| Keyword | MD simulation; adsorption; lubricity additive; fatty acid; low-sulfur diesel |