Study of the Intrinsic Viscosity[η] of Poly(methyl methacrylate) Solution by QSPR

Abstract

Quantitative structure-property relationship (QSPR) analysis to intrinsic viscosity [η] of poly(methyl methacrylate) solution have been conducted. The study was done by using molecular modeling. The calculation was performed by the PM7 method using MOPAC programme. The relationship analysis between intrinsic viscosity [η] and physicochemical properties of eight solvents (toluene, ethyl acetate, benzene, chloroform, butanone, dichloroethane, acetone and nitro ethane) under study was done by MLR analysis to generate the equation that relates the structural features to the intrinsic viscosity [η] properties. The results show excellent models with four parameters linear equations. The best model using theoretical parameters is identified, that including electronic energy, ω, dielectric energy and energy gap parameters, with excellent statistical fit as evident from its R 2 = 0.993, F= 107.222 and S=3.447.