Simulation Investigation on Flame Retardancy of the PVAc/ATP Nanocomposite
Molecular dynamics (MD) simulations were carried out to study the effects of some key factors on the enhancement of flame retardancy of the PVAc/ATP nanocomposite. As a result, the obvious improved flame retardancy was attributed mainly to the increased dispersion of Mg ions in the PVAc matrix due t...
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| Format: | Article |
| Language: | English |
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Wiley
2019-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2019/3041097 |
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| author | Su Qiong Wang Yanbin Liu Li Liang Junxi |
| author_facet | Su Qiong Wang Yanbin Liu Li Liang Junxi |
| author_sort | Su Qiong |
| collection | DOAJ |
| description | Molecular dynamics (MD) simulations were carried out to study the effects of some key factors on the enhancement of flame retardancy of the PVAc/ATP nanocomposite. As a result, the obvious improved flame retardancy was attributed mainly to the increased dispersion of Mg ions in the PVAc matrix due to the stronger interaction between PVAc and ATP and partially to the combustion temperature of PVAc released by the escaped H2O originating from the ATP dopant. Hence, the ATP ore as a predicted additive is viewed as a prospective candidate to be applied in future organic materials to obtain better flame-retardant properties. Moreover, in our simulations, the temperature can induce a significant impact on the interaction of the PVAc/ATP nanocomposite, in which the prominent combination between PVAc and ATP could be greatly promoted at 350 K. |
| format | Article |
| id | doaj-art-b1c9754f9a534fc4979d122ef05ac9c7 |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2019-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-b1c9754f9a534fc4979d122ef05ac9c72025-02-03T01:22:19ZengWileyJournal of Chemistry2090-90632090-90712019-01-01201910.1155/2019/30410973041097Simulation Investigation on Flame Retardancy of the PVAc/ATP NanocompositeSu Qiong0Wang Yanbin1Liu Li2Liang Junxi3Gansu Key Laboratory of Environmental Friendly Composites and Biomass Utilization, College of Chemical Engineering, Northwest Minzu University, Lanzhou, Gansu 730030, ChinaGansu Key Laboratory of Environmental Friendly Composites and Biomass Utilization, College of Chemical Engineering, Northwest Minzu University, Lanzhou, Gansu 730030, ChinaGansu Key Laboratory of Environmental Friendly Composites and Biomass Utilization, College of Chemical Engineering, Northwest Minzu University, Lanzhou, Gansu 730030, ChinaGansu Key Laboratory of Environmental Friendly Composites and Biomass Utilization, College of Chemical Engineering, Northwest Minzu University, Lanzhou, Gansu 730030, ChinaMolecular dynamics (MD) simulations were carried out to study the effects of some key factors on the enhancement of flame retardancy of the PVAc/ATP nanocomposite. As a result, the obvious improved flame retardancy was attributed mainly to the increased dispersion of Mg ions in the PVAc matrix due to the stronger interaction between PVAc and ATP and partially to the combustion temperature of PVAc released by the escaped H2O originating from the ATP dopant. Hence, the ATP ore as a predicted additive is viewed as a prospective candidate to be applied in future organic materials to obtain better flame-retardant properties. Moreover, in our simulations, the temperature can induce a significant impact on the interaction of the PVAc/ATP nanocomposite, in which the prominent combination between PVAc and ATP could be greatly promoted at 350 K.http://dx.doi.org/10.1155/2019/3041097 |
| spellingShingle | Su Qiong Wang Yanbin Liu Li Liang Junxi Simulation Investigation on Flame Retardancy of the PVAc/ATP Nanocomposite Journal of Chemistry |
| title | Simulation Investigation on Flame Retardancy of the PVAc/ATP Nanocomposite |
| title_full | Simulation Investigation on Flame Retardancy of the PVAc/ATP Nanocomposite |
| title_fullStr | Simulation Investigation on Flame Retardancy of the PVAc/ATP Nanocomposite |
| title_full_unstemmed | Simulation Investigation on Flame Retardancy of the PVAc/ATP Nanocomposite |
| title_short | Simulation Investigation on Flame Retardancy of the PVAc/ATP Nanocomposite |
| title_sort | simulation investigation on flame retardancy of the pvac atp nanocomposite |
| url | http://dx.doi.org/10.1155/2019/3041097 |
| work_keys_str_mv | AT suqiong simulationinvestigationonflameretardancyofthepvacatpnanocomposite AT wangyanbin simulationinvestigationonflameretardancyofthepvacatpnanocomposite AT liuli simulationinvestigationonflameretardancyofthepvacatpnanocomposite AT liangjunxi simulationinvestigationonflameretardancyofthepvacatpnanocomposite |