The identification of the generalised Maxwell fluid for n-hexadecane liquids via non-equilibrium molecular dynamics simulations

ABSTRACT

Linear viscoelasticity is very important for chain-molecular fluids. The generalised Maxwell constitutive equation is classical in which the linear viscoelastic fluids consist of a series of spring and dashpot. It is significant to identify the generalised Maxwell fluid of linear viscoelasticity for n-hexadecane liquids through non-equilibrium molecular dynamics simulations of small-strain amplitude oscillatory shear flows. For describing a characteristic of material viscoelasticity, the predicted relaxation modulus curves at different temperatures exhibit three regions: transition, rubbery, and flow. Additionally, the Cox-Merz rule is verified in which the complex oscillation-shear viscosity almost equals the steady-state shear viscosity with respect to shear rates.

KEYWORDS:

• Linear viscoelasticity
• generalised Maxwell fluid
• non-equilibrium molecular dynamics simulations
• Cox-Merz rule

Acknowledgment

The author is very grateful to the reviewers for their valuable suggestions and thoughtful criticism in completing this article.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Data availability

Data will be made available on request.