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Prediction of lubricant viscosity from nonequilibrium molecular dynamics simulation.

Number: 2302

Author(s) : LIN L., KEDZIERSKI M.

Summary

Nonequilibrium molecular dynamics simulation (NEMD) was used to compute the viscosity of a pure polyol ester, pentaerythritol tetrahexanoate (PEC6), for a broad range of strain rate (107 s−1 to 1010 s−1), temperature (258 K to 373 K), and pressure (0.1 MPa to 1 GPa). The Newtonian viscosity was obtained by fitting the viscosities at different strain rates to the Eyring model. The predicted Newtonian viscosities agree well with the experimental data with respect to temperature and pressure. The molecular dynamics simulation is pure prediction because it requires only the chemical structure as the input. Therefore, molecular dynamics can be especially useful in simulating those hypothetical molecules and those experimentally inaccessible conditions, which can reduce the cost and time of experimentation and facilitate the development of high-performance lubricants.

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Pages: 8

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Details

  • Original title: Prediction of lubricant viscosity from nonequilibrium molecular dynamics simulation.
  • Record ID : 30028458
  • Languages: English
  • Subject: Technology
  • Source: 2021 Purdue Conferences. 18th International Refrigeration and Air-Conditioning Conference at Purdue.
  • Publication date: 2021/05
  • Document available for consultation in the library of the IIR headquarters only.

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