Determination of the pressure-viscosity coefficient of decane by molecular simulation

C.J. Mundy, M.L. Klein, and J.I. Siepmann, "Determination of the pressure-viscosity coefficient of decane by molecular simulation," J. Phys. Chem. 100, 16779-16781 (1996).

Abstract

The shear viscosities of n-decane and 4-propylheptane have been calculated over a range of densities. Equilibrium molecular dynamics simulations were carried out in the canonical ensemble for an empirical force field using the united-atom representation. Quantitative agreement is obtained with the experimental shear viscosities and the pressure−viscosity coefficient.

Determination of the pressure-viscosity coefficient of decane by molecular simulation