A simple correlation for reliable prediction of intrinsic viscosity (limiting viscosity number) of different polymer-solvent combinations

Abstract

Intrinsic viscosity (limiting viscosity number) of a dilute polymer solution is one of the most fundamental properties of polymers for solubility parameters calculation, determining the molecular weight, size, and topological structure of polymers, and other physicochemical property characterization. The purpose of this work is to introduce a core correlation for predicting intrinsic viscosity of different polymer-solvent combinations from only the structure of the repeating unit structure of polymer and solubility parameter of polymer. Model's reliability can be enhanced by considering two correcting functions based on the effective dispersion, polar, and hydrogen bonding components of solubility for some solvents. The largest available experimental data including intrinsic viscosity of 74 polymer-solvent combinations are used to derive and test the improved model. The predicted intrinsic viscosity of the new model show higher reliability as compared with the results of one empirical and two quantitative structure-property relationships (QSPR) approaches for 65 polymer-solvent combinations. The value of the Root Mean Square Error (RMSE) of the improved model is 24.05 cm3/g, which is less than three comparative models, i.e. 86.08, 37.79, and 34.63 cm3/g. The new method also gives good results as compared to two further complex QSPR models for nine extra polymer-solvent combinations. Moreover, different statistical parameters confirm excellent reliability of the improved correlation as compared to the best accessible predictive methods.