Volume 40 Issue 5
Dec.  2023
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LIU Chao, LU Fuwei, WANG Wei, et al.Adsorption of polar fragments of amide lubricants on iron surface[J]. Drilling Fluid & Completion Fluid,2023, 40(5):578-585 doi: 10.12358/j.issn.1001-5620.2023.05.005
Citation: LIU Chao, LU Fuwei, WANG Wei, et al.Adsorption of polar fragments of amide lubricants on iron surface[J]. Drilling Fluid & Completion Fluid,2023, 40(5):578-585 doi: 10.12358/j.issn.1001-5620.2023.05.005

Adsorption of Polar Fragments of Amide Lubricants on Iron Surface

doi: 10.12358/j.issn.1001-5620.2023.05.005
  • Received Date: 2023-04-12
  • Rev Recd Date: 2023-05-28
  • Publish Date: 2023-12-25
  • DFT simulation was used to investigate the bonding effects of different polar segments on iron (001) surface. These polar segments were intercepted from the hydrophilic chain segments of oleic acid amide lubricants, include primary amine, secondary amine, amide, and hydroxyl. Results indicated that amide group, primary amine group, and hydroxyl group generated the most stable adsorption at the bridge site of Fe (001) surface, and secondary amino group generated the most stable adsorption on the top site of Fe (001) surface. The adsorption energy in descending order were primary amine group, secondary amino group, hydroxyl group, and amide group. Results of population analysis indicated that the orbital population of four polar groups changed during the process and obtained electrons from Fe (001) surface. Among them, secondary amino group obtained 0.16e electrons, primary amino and amide group obtained 0.09e electrons, and hydroxyl group obtained the lowest number of electrons at 0.08e. Results of DOS analysis showed that there exist DOS overlap between 2p orbitals of N and 3p、4s orbitals of iron, with chemical bonding effect. In the extreme pressure lubrication test and four ball friction test results, the lubrication coefficient reduction rate of oleic acid Diethylenetriamine is 83.6%, higher than 78.2% of oleic acid diethanolamide, and the wear scar radius is 287.184 μ m. The wear radius is lower than that of oleic acid diethanolamide. The experimental results indicate that surfactants containing amine and amide groups have better lubrication performance than surfactants containing hydroxyl groups.

     

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