Lubricant oils composed of multiply alkylated cyclopentane (MAC) fluids have become the dominant lubricant used in moving mechanical assemblies onboard spacecraft. MAC molecules, with a chemical structure unique among lubricant oils, possess many of the physicochemical properties required to help ensure adequate system life in space. Despite the widespread use of MAC lubricants, there is little information on how its chemical structure influences its tribological performance. The use of molecular dynamics simulations to provide molecular-level insight into lubricant performance has been widely reported. Non-equilibrium molecular dynamics (NEMD) simulations of bulk and confined MAC systems will be described; Results will include an investigation into the role of dynamics (e.g., rotational, conformational, etc.) and nanoscale interfacial structure into the observed rheological behavior of this industrially relevant tribological system. Results from NEMD simulations with traditional lubricant oils will be provided for comparison to discern qualitative trends in structure-function relationship of lubricant oils.<br/>

Molecular dynamics simulations of multiply alkylated cyclopentane-based lubricant oils

253rd National Meeting (2017)

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