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QSPR Study of the Intrinsic Viscosity[η] of Polyisobutylene Solution

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1TitleTitle of DocumentQSPR Study of the Intrinsic Viscosity[η] of Polyisobutylene Solution
2CreatorAuthor's name, affiliation, country SADIQ M-H ISMAEL, KAWKAB A. HUSSAIN* and ABBAS DAWWAS MATTER
Department of Chemistry, College of Educationfor Pure Science University of Basrah, Iraq
3SubjectDicipline(s) Chemical Science
3SubjectKeywords Intrinsic Viscosity, QSPR model
4DescriptionAbstract Quantitative structure-property relationship (QSPR) analysis to intrinsic viscosity [η] of polyisobutylene solution have been conducted. The study was done by using molecular modelling. The calculation was performed by the PBE method at 6-31G(d) basis set. The relationship analysis between intrinsic viscosity [η] and physicochemical properties of four solvents (benzene, toluene, cyclohexane, and CCl4) 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 good models with two parameters linear equations. The best model using theoretical parameters was the Eq. 1a, that including LUMOs and T.Es parameters. While the best model using experimental parameters was Eq.1b, that involving εs and S parameters, with excellent statistical fit as evident from its R2 = 0.999, F= 1413.035 and SE=2.138.
5PublishersOrganizing agency, location WWW Publications, India
6Contributor Sponsor(s) -
7DateDate (YYYY-MM-DD) -
8TypeStatus & genre Peer-reviewed Article
8TypeType
9FormateFile Formate PDF
10IdentifierUniform Resource Identifier Click Here
10IdentifierDigital Object Identifier DOI:10.7598/cst2015.1002
11SourceJournal/conference title; vol., no. (Year)Chemical Science Transactions, Volume  4 , Number  (2), (2015)
12LanuguageEnglish=en en
13RelationSupp.files
14Coverage -
15CopyrightCopyright and permissions
Chemical Science Transactions | Chem Sci Trans | CST | Online Chemistry Journal | Open Access
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