The shear thinning of a lubricant significantly affects lubrication film generation at high shear rates. The critical shear rate, defined at the onset of shear thinning, marks the transition of lubricant behaviors. It is challenging to capture the entire shear-thinning curve by means of molecular dynamics (MD) simulations owing to the low signal-to-noise ratio or long calculation time at comparatively low shear rates (10-10 s), which is likely coincident with the shear rates of interest for lubrication applications. This paper proposes an approach that correlates the shear-thinning phenomenon with the change in the molecular conformation characterized by the radius of gyration of the molecule. Such a correlation should be feasible to capture the major mechanism of shear thinning for small- to moderate-sized non-spherical molecules, which is shear-induced molecular alignment. The idea is demonstrated by analyzing the critical shear rate for squalane (CH) and 1-decene trimer (CH); it is then implemented to study the behaviors of different molecular weight poly-α-olefin (PAO) structures. Time-temperature-pressure superpositioning (TTPS) is demonstrated and it helps further extend the ranges of the temperature and pressure for shear-thinning behavior analyses. The research leads to a relationship between molecular weight and critical shear rate for PAO structures, and the results are compared with those from the Einstein-Debye equation.

Modern automotive engines operate at higher power densities than ever before, driving a need for new lubricant additives capable of reducing friction and wear further than ever before while not poisoning the catalytic converter. Reported in this paper is a new class of molecular friction modifier (FM), represented by 1,4,7,10-tetradodecyl-1,4,7,10-tetraazacyclododecane (1a), designed to employ thermally stable, sulfur- and phosphorus-free alkyl-substituted nitrogen heterocycles with multiple nitrogen centers per molecule. The multiple nitrogen centers enable cooperative binding to a surface which provides strong surface adsorption and lubricant film durability in the boundary lubrication (BL) regime. A 1 wt % loading of the cyclen FM 1a in Group III base oil exhibits strong surface adsorption, leading to excellent reductions in friction (70%) and wear (95%) versus the pure Group III oil across a wide temperature range. The lubricant with the new FM additive also outperforms two commercially available noncyclic amine-based FMs and a fully formulated commercial 5W30 motor oil.

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This paper reports a series of studies on the lubricant properties, elastohydrodynamic film thickness, and coefficients of friction of several commercially available ester base stocks, i.e., diisooctyl phthalate (DIOP), diisodecyl phthalate (DIDP), diisotridecyl phthalate (DITDP), diisooctyl sebacate (DOS), diisotridecyl sebacate (DTDS), trihydroxymethylpropyl trioleate (TMPTO), and pentaerythritol tetraoleate (PETO). The results include densities and viscosities from 303 to 398 K, and elastohydrodynamic lubricant film thicknesses and friction in the boundary, mixed and full-film lubrication regimes measured at several temperatures, loads, and speeds. These ester base stocks have different lubrication abilities owing to their chain lengths, geometric configurations, and molecular rigidity. This study provides quantitative insight into the use of ester-based lubricants for low friction through the entire lubrication regime (boundary to full film) by utilization of suitable type and size of the ester base stocks.