Effect of polymer structure and chemistry on viscosity index, thickening efficiency, and traction coefficient of lubricants

• Commercially available polymeric lubricants with similar viscosities but different chemistries and structures are simulated. A new computationally efficient simulation approach for calculating traction coefficient is demonstrated. The simulations accurately predict viscosity index, thickening efficiency, coefficient. Dynamic descriptors of the polymers extracted from related to lubricant performance properties. Simulation-calculated used simple linear models identify key correlations chemistry structure base oil polymer additive molecules in directly affect metrics such as However, relationship between molecular properties these still not fully understood, inhibiting design fluids potentially improved performance. This study dynamics structure–property-function relationships model consisting branched consistent commercially products. First, kinematic at 100 °C were formulated five polymers. Then, simulation-calculated Newtonian 40 °C, full film lubrication validated by direct comparison experimental data. Next, origins differences investigated multiple structural simulated Finally, develop empirical using best subset regression analysis rapidly atomistic developed this work can ultimately guide or additives.