[25] Determination of the Pressure−Viscosity Coefficient of Decane by Molecular Simulation
J. Phys. Chem. 100, 16779-16781 (1996)
Publication 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.