(588b) Prediction of the Viscosity-Pressure Relation Using Nonequilibrium Molecular Dynamics

Nonequilibrium molecular dynamics simulations provide an efficient way of calculating transport coefficients of molecular fluids. These methods have the advantage of being very efficient and accurate. They also provide a direct access to the response of the fluid when subjected to shear, leading to a characterization of the variations of viscosity as a function of the shear rate. Here we discuss the application of methods relying on the SLLOD equations of motion to the prediction of the viscosity-pressure relation of branched alkanes.