Theoretical study of Optimum conditions of intrinsic viscosity of polyethylene oxide solution using QSPR model
Joint Authors
Majid, Hasanayn A. S. A.
Ismail, Sadiq M. H.
Husayn, Kawkab A.
Source
Iraqi National Journal of Chemistry
Issue
Vol. 2013, Issue 52 (31 Dec. 2013), pp.404-413, 10 p.
Publisher
University of Babylon College of Sciences
Publication Date
2013-12-31
Country of Publication
Iraq
No. of Pages
10
Main Subjects
Topics
Abstract AR
العلاقة التركيبية الخصائية الكمية استخدمت للتنبأ باللزوجة الجوهرة ل (بولي اثليين اوكسيد) في المحلول.
عدة موديلات للتنبأ باللزوجة الجوهرة وضعت بإستخدام تحليل MLR.
خمسة موديلات تملك معامل احصائي ضمن المدى 0.99-0.87 R- باستخدام MLR اعتمادا على الموصوفات المحسوبه من التركيب الجزيئي.
النتائج اظهرت أن أفضل موديل ممتاز و التي لها أفضل الوسائط الاحصائية (أعلى قيمه لمعامل الإرتباط و أقل خطآ) بإستخدام خمس متغيرات, HOMO, LUMO, T.
E., Cp(s) and V.
W.
AREA و التي أكدت بأن هذه المتغيرات تلعب دورا مهما فى التأثير على اللزوجة الجوهرية [ŋ] لمحلول بولى أثلين أوكسيد في المذيبات المختارة.
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.
American Psychological Association (APA)
Ismail, Sadiq M. H.& Husayn, Kawkab A.& Majid, Hasanayn A. S. A.. 2013. Theoretical study of Optimum conditions of intrinsic viscosity of polyethylene oxide solution using QSPR model. Iraqi National Journal of Chemistry،Vol. 2013, no. 52, pp.404-413.
https://search.emarefa.net/detail/BIM-357538
Modern Language Association (MLA)
Husayn, Kawkab A.…[et al.]. Theoretical study of Optimum conditions of intrinsic viscosity of polyethylene oxide solution using QSPR model. Iraqi National Journal of Chemistry No. 52 (2013), pp.404-413.
https://search.emarefa.net/detail/BIM-357538
American Medical Association (AMA)
Ismail, Sadiq M. H.& Husayn, Kawkab A.& Majid, Hasanayn A. S. A.. Theoretical study of Optimum conditions of intrinsic viscosity of polyethylene oxide solution using QSPR model. Iraqi National Journal of Chemistry. 2013. Vol. 2013, no. 52, pp.404-413.
https://search.emarefa.net/detail/BIM-357538
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 412-413
Record ID
BIM-357538