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

Abstract

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.