QSPR Models for the Prediction of Friction Coefficient and Maximum Non-Seizure Load of Lubricants

A quantitative structure-property relationship (QSPR) model was used to study the friction coefficient and maximum non-seizure load of fatty acids, alcohols, and esters as extreme pressure and antiwear additives in lubricants on the surface of steel using several physicochemical descriptors. The tribological properties of these compounds on the steel surface were studied using a four-ball tribo-tester. Molecular refractivity and several structural descriptors were adopted in the development of the QSPR using a genetic function approximation (GFA) statistical analysis method. The results show that quantum descriptors are a better choice for predicting the friction coefficient and maximum non-seizure load of lubricants. Hydrogen bond donor, dipole, polarizability, molecular refractivity, and surface area are the most sensitive among the major contributing descriptors.