An investigation into the molecular stability of zinc di-alkyl-di-thiophosphates (ZDDPs) in relation to their use as anti-wear and anti-corrosion additives in lubricating oils

D. R. Armstrong, E. S. Ferrari, K. J. Roberts, D. Adams

Research output: Contribution to journalArticle

32 Citations (Scopus)

Abstract

The electronic energies and structures of the monomeric, neutral and basic forms of the important lubricating oil additive zinc di-alkyl-di-thiophosphate (ZDDP) are examined by molecular optimisation techniques using semi-empirical quantum chemistry calculations (MNDO). The optimised geometries reveal good agreement with known crystallographic data. The molecular stability is found to be highest for the basic form of ZDDP. For all forms, the variation of the chain length of the alkyl groups does not significantly change the overall molecular structure. © 1997 Elsevier Science S.A.

Original languageEnglish
Pages (from-to)138-146
Number of pages9
JournalWear
Volume208
Issue number1-2
Publication statusPublished - 1 Jul 1997

Keywords

  • Anti-corrosion/wear additive
  • Molecular modelling
  • Quantum chemistry
  • Zinc di-alkyl-di-thiophosphates

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