Effect of Molecular-Scale Features on the Polymer Coil Size of Model Viscosity Index Improvers

Temperature-induced changes in coil size have been proposed as a mechanism underlying the functionality of viscosity index improving polymers. Here, molecular dynamics simulations are used to characterize the effect of temperature on the coil size of model additive polymers. The simulations reproduce experimental observations, where only some polymers increase in size with increasing temperature. The results also reveal that the presence of oxygen atoms in the polymer structure is a key factor in determining whether the polymer expands or contracts. This new simulation approach provides a general methodology for investigating temperature-induced coil size changes in polymeric lubricant additives.