Volume 6, Issue 4, July 2014, Pages 959–967
KHUDHAIR Mohammed1, EL RHAYAM Youssef2, and Ahmed Elharfi3
1 Laboratory of Polymers, Radiation and Environment- Team of Macromolecular & Organic Chemistry, Ibn Tofail University, Faculty of sciences, Kenitra, Morocco
2 Laboratory of Polymers, Radiation and Environment- Team of Macromolecular & Organic Chemistry, Ibn Tofail University, Faculty of sciences, Kenitra, Morocco
3 Laboratory of Polymers, Radiation and Environment- Team of Macromolecular & Organic Chemistry, Ibn Tofail University, Faculty of sciences, Kenitra, Morocco
Original language: English
Copyright © 2014 ISSR Journals. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
In this study, we are interested in the development of a new model "Quantitative Structure Property Relationship" (QSPR). To illustrate the behavior inufigeant of the thermal degradation of resins oxides organophosphate based on the Quantitative Structure-Property Relationship (QSPR) and the quality of the experimental data. Subsequently, we have discussed the influence of the impact of the thermal parameters quantum chemistry on the retardant behavior of degradation of multifunctional resins (DGEBA, TGTEP, HGTEP and HGCP). Self-timer degradation prediction was made by the semi-empirical PM3 and DFT method database software Gaussian 03.
Author Keywords: QSPR, model, Pm3, DFT, Epoxy resins, Retardant thermal degradation.
KHUDHAIR Mohammed1, EL RHAYAM Youssef2, and Ahmed Elharfi3
1 Laboratory of Polymers, Radiation and Environment- Team of Macromolecular & Organic Chemistry, Ibn Tofail University, Faculty of sciences, Kenitra, Morocco
2 Laboratory of Polymers, Radiation and Environment- Team of Macromolecular & Organic Chemistry, Ibn Tofail University, Faculty of sciences, Kenitra, Morocco
3 Laboratory of Polymers, Radiation and Environment- Team of Macromolecular & Organic Chemistry, Ibn Tofail University, Faculty of sciences, Kenitra, Morocco
Original language: English
Copyright © 2014 ISSR Journals. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Abstract
In this study, we are interested in the development of a new model "Quantitative Structure Property Relationship" (QSPR). To illustrate the behavior inufigeant of the thermal degradation of resins oxides organophosphate based on the Quantitative Structure-Property Relationship (QSPR) and the quality of the experimental data. Subsequently, we have discussed the influence of the impact of the thermal parameters quantum chemistry on the retardant behavior of degradation of multifunctional resins (DGEBA, TGTEP, HGTEP and HGCP). Self-timer degradation prediction was made by the semi-empirical PM3 and DFT method database software Gaussian 03.
Author Keywords: QSPR, model, Pm3, DFT, Epoxy resins, Retardant thermal degradation.
How to Cite this Article
KHUDHAIR Mohammed, EL RHAYAM Youssef, and Ahmed Elharfi, “Experimental and theoretical study of the impact of quantum chemistry parameters on the behavior of the thermal degradation of organophosphorus oxide resins inufigeant,” International Journal of Innovation and Applied Studies, vol. 6, no. 4, pp. 959–967, July 2014.
