Examining the rheology of 9-octylheptadecane to giga-pascal pressures

Clare McCabe, Shengting Cui, Peter T. Cummings, Peter A. Gordon, Roland B. Saeger

Research output: Contribution to journalArticlepeer-review

60 Citations (Scopus)


Equilibrium molecular dynamics (EMD) and nonequilibrium EMD (NEMD) simulations of 9-octylheptadecane were carried out at 311 and 372 K and pressures ranging from atmospheric to the gigapascal range. The rotational relaxation time was determined to be in good agreement with the predicted transition from Newtonian to non-Newtonian behavior from the NEMD simulation results. The zero-shear viscosity estimated from the NEMD simulations underpredicted the experimental value. From the zero-shear viscosity at atmospheric pressure and 372 and 311 K, the viscosity number for 9-octylheptadecane was determined.

Original languageEnglish
Pages (from-to)1887-1891
Number of pages5
JournalThe Journal of Chemical Physics
Issue number4
Publication statusPublished - 22 Jan 2001

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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