Vapor-liquid equilibrium of metal dialkyldithiophosphates: An analysis with the statistical associating fluid theory.

Abstract The vapor pressure osmometry (VPO) of metal dialkyldithiophospate (MDDPs) association in simple hydrocarbon solvents [1] has been analyzed using the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) [2]. From this analysis, we obtain a fluid-state free energy theory of MDDPs, including zinc dialkyldithiophosphates (ZnDDPs), an important class of multifunctional lubricant additives present in most automotive and commercial vehicle formulations marketed worldwide [3]. As expected, the PC-SAFT parameters of the MDDP compounds are found to vary smoothly with molecular size, metal atom type (Zn, Cd, Hg, Pb), and alkyl chain structure. Analysis of benzene/MDDP VPO isotherms with PC-SAFT suggests that selected MDDP compounds cross-associate with benzene. [ABSTRACT FROM AUTHOR]