Theoretical study of Optimum conditions of intrinsic viscosity of polyethylene oxide solution using QSPR model

Abstract EN

Quantitative Structure–Property Relationship (QSPR) models method have been used for the prediction intrinsic viscosity of (poly ethylene oxide) in solution.

Several models for the prediction of intrinsic viscosity have been drawn up by using the multiple regression technique.

Penta models with R2 ranges from 0.87-0.99 by using MLR based on descriptors calculated from molecular structure have been developed present in this study.

The results show excellent model with high correlation coefficient, minimum standard of error by using five parameters, which indicate that these parameters Total Energy T.E, capacity heat of organic solvent Cp (s), Van Der Waals Area V.W.AREA, The energy of Highest Occupied Molecular Orbital HOMO and The energy of Lowest Unoccupied Molecular Orbital LUMO, play an important role in effect on intrinsic viscosity of polymer in these solvents.