A Novel Method for Fluid Pour-Point Prediction by Molecular Dynamics Simulations

Pour point, or the temperature below which a fluid ceases to flow, is an important lubricant property. A molecular-dynamics-based approach is developed to explore and identify the pour points of a number of fluids. Diffusion behaviors of several fluids are investigated by time-averaged mean squared displacement (MSD), and a clear trend change of the MSD data is observed as a function of temperature. The temperature at this trend change...