A new approach for assessment of glass transition temperature of acrylic and methacrylic polymers from structure of their monomers without using any computer codes

Abstract

This work introduces a simple correlation to assess glass transition temperature of acrylic and methacrylic polymers from monomer structure without using any computer code. This method is based on only suitable combination of elemental composition and some molecular fragments present in repeating unit structure. It can be applied for different acrylic and methacrylic polymer derivatives such as alkyl, aminoalkyl, cyanoalkyl, fluoroalkyl, hydroxyalkyl, nitratoalkyl, oxaalkyl, sulfinylalkyl, thiaalkyl, cyanooxaalkyl, cyano-thiaalkyl, fluorooxaalkyl and hydroxyoxaalkyl (meth)acrylate polymers. The root-mean-square deviations of the model from the 130 experimental data are 9.76 and 11.12 K for the training and test sets, respectively. In contrast to available methods, which are based on complex molecular descriptors and specific computer codes, glass transition temperatures of acrylic and methacrylic polymers can be easily calculated.