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  • Chem Sci Trans., 2017, 6(1),  pp 129-134  

    DOI:10.7598/cst2017.1324

    Research Article

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

  • WISAM A RADHI, SADIQ M-H ISMAEL and KAWKAB A HUSSAIN
  • Department of Chemistry, Polymer Research Center, University of Basrah, Iraq
    Department of Chemistry, College of Education for Pure Science, University of Basrah, Iraq
  • 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 R2 = 0.993, F= 107.222 and S=3.447.

    Keywords

    QSPR, Poly(methyl methacrylate), Intrinsic viscosity

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