Prediction of Glass Transition Temperatures for Polystyrenes by a Four‐Descriptors QSPR Model

Summary: A set of new molecular descriptors, R SC , S MC , D HB and M PE , which are obtained directly from polystyrenes monomer structures, are used to predict the T g values of polystyrenes and generate a QSPR model by multiple linear stepwise regression analysis, with R = 0.959 and s = 15.20 K. Compared with the existing QSPR models, the proposed model requires only four descriptors, which can be obtained by simple calculation and makes it more valuable to predict the T g values of polymers. magnified image