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Experimental and Ab Initio Characterization of Mononuclear Molybdenum Dithiocarbamates in Lubricant Mixtures.
Losi, Gabriele; Peeters, Stefan; Delayens, Franck; Vezin, Hervé; Loehlé, Sophie; Thiebaut, Benoit; Righi, Maria Clelia.
Afiliação
  • Losi G; Department of Physics and Astronomy, University of Bologna, 40127 Bologna, Italy.
  • Peeters S; Department of Physics, Informatics and Mathematics, University of Modena and Reggio Emilia, I-41125 Modena, Italy.
  • Delayens F; Department of Physics and Astronomy, University of Bologna, 40127 Bologna, Italy.
  • Vezin H; Department of Physics, Informatics and Mathematics, University of Modena and Reggio Emilia, I-41125 Modena, Italy.
  • Loehlé S; Total Marketing and Services, Chemin du Canal BP 22, 69360 Solaize, France.
  • Thiebaut B; University of Lille, CNRS, UMR 8516 - LASIRE - Laboratoire Avancé de Spectroscopie pour les Interactions, la Réactivité et l'Environnement, F-59000 Lille, France.
  • Righi MC; Total Marketing and Services, Chemin du Canal BP 22, 69360 Solaize, France.
Langmuir ; 37(16): 4836-4846, 2021 Apr 27.
Article em En | MEDLINE | ID: mdl-33847121
ABSTRACT
Molybdenum dithiocarbamates (MoDTCs) are a class of lubricant additives widely employed in automotives. Most of the studies concerning MoDTC take into account the dimeric structures because of their industrial relevance, with the mononuclear compounds usually neglected, because isolating and characterizing subgroups of MoDTC molecules are generally difficult. However, the byproducts of the synthesis of MoDTC can impact the friction reduction performance at metallic interfaces, and the effect of mononuclear MoDTC (mMoDTC) compounds in the lubrication has not been considered yet in the literature. In this study, we consider for the first time the impurities of MoDTC consisting of mononuclear compounds and combine experimental and computational techniques to elucidate the interaction of these impurities with binuclear MoDTC in commercial formulations. We present a preliminary strategy to separate a commercial MoDTC product in chemically different fractions. These fractions present different tribological behaviors depending on the relative amount of mononuclear and binuclear complexes. The calculations indicate that the dissociation mechanism of mMoDTC is similar to the one observed for the dimeric structures. However, the different chemical properties of mMoDTC impact the kinetics for the formation of the beneficial molybdenum disulfide (MoS2) layers, as shown by the tribological experiments. These results help to understand the functionality of MoDTC lubricant additives, providing new insights into the complex synergy between the different chemical structures.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Langmuir Assunto da revista: QUIMICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Itália

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Langmuir Assunto da revista: QUIMICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Itália