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

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

doi:10.1063/1.1334676

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 journal › Article › peer-review

61 Citations (Scopus)

Abstract

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 language	English
Pages (from-to)	1887-1891
Number of pages	5
Journal	The Journal of Chemical Physics
Volume	114
Issue number	4
DOIs	https://doi.org/10.1063/1.1334676
Publication status	Published - 22 Jan 2001

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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abstract = "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.",

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AU - Gordon, Peter A.

AU - Saeger, Roland B.

PY - 2001/1/22

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N2 - 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.

AB - 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.

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

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