ICCAS OpenIR
Monte Carlo simulation of the grafting of maleic anhydride onto polypropylene at higher temperature
Zhu, YT; An, LJ; Jiang, W
2003-05-20
Source PublicationMACROMOLECULES
ISSN0024-9297
Volume36Issue:10Pages:3714-3720
AbstractThe graft of maleic anhydride (MAH) onto isotactic polypropylene (iPP) initiated by dicumyl peroxide (DCP) at 190 degreesC was studied by means of the Monte Carlo method. The ceiling temperature theory, i.e., no possibility for the homopolymerization of MA-H to occur at higher temperatures, was used in this study. The simulation results show that most MAH monomers were grafted onto the radical chain ends arising from beta scission at a lower MAH concentration, whereas the amount of MAH monomers attached to the tertiary carbons was much larger than that grafted onto the radical chain ends at a higher MAH concentration for various DCP concentrations. This conclusion gives a good interpretation for the disagreement on the grafting sites along a PP chain. Moreover, it was found that the grafting degree increased considerably up to a peak value; thereafter, it decreased continuously with increasing MA-H concentration. The peak shifted in the lower MAH concentration direction and became lower and lower with increasing DCP concentration. When the DCP concentration was below 0.1 wt %, the peak was hardly observed. Those results are in good agreement with the experiments. On the other hand, the simulation results show that the average grafting number of MAH monomers on per PP chain maintained almost a linear relationship with chain length for various DCP and MAH concentrations. The quantitative relationship among PP molecular weight, DCP, and MAH concentrations was also obtained in this study.
DOI10.1021/ma0342168
Indexed BySCI
Language英语
WOS IDWOS:000182967300036
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:38[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/80754
Collection中国科学院化学研究所
Corresponding AuthorJiang, W
AffiliationChinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Peoples R China
Recommended Citation
GB/T 7714
Zhu, YT,An, LJ,Jiang, W. Monte Carlo simulation of the grafting of maleic anhydride onto polypropylene at higher temperature[J]. MACROMOLECULES,2003,36(10):3714-3720.
APA Zhu, YT,An, LJ,&Jiang, W.(2003).Monte Carlo simulation of the grafting of maleic anhydride onto polypropylene at higher temperature.MACROMOLECULES,36(10),3714-3720.
MLA Zhu, YT,et al."Monte Carlo simulation of the grafting of maleic anhydride onto polypropylene at higher temperature".MACROMOLECULES 36.10(2003):3714-3720.
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