Lubricant characterization by molecular simulation

Journal Article · Mon Dec 01 00:00:00 EST 1997 · AIChE Journal

DOI:https://doi.org/10.1002/aic.690431215· OSTI ID:603836

Moore, J D; Cui, S T; Cummings, P T; Cochran, H D ^[1]

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1. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Chemical Engineering

The authors have reported the calculation of the kinematic viscosity index of squalane from nonequilibrium molecular dynamics simulations. This represents the first accurate quantitative prediction of this measure of lubricant performance by molecular simulation. Using the same general alkane potential model, this computational approach offers the possibility of predicting the performance of potential lubricants prior to synthesis. Consequently, molecular simulation is poised to become an important tool for future lubricant development.

• Sponsoring Organization: National Science Foundation, Washington, DC (United States); USDOE, Washington, DC (United States)
• DOE Contract Number: AC05-96OR22464
• OSTI ID: 603836
• Journal Information: AIChE Journal, Vol. 43, Issue 12; Other Information: PBD: Dec 1997
• Country of Publication: United States
• Language: English

Related Subjects

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION
40 CHEMISTRY
SQUALENE
LUBRICANTS
VISCOSITY
PERFORMANCE
DIAGNOSTIC TECHNIQUES
EXPERIMENTAL DATA