1998
DOI: 10.1002/(sici)1099-0488(199812)36:17<3057::aid-polb6>3.0.co;2-k
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Modeling the effect of crosslinking in methyl-pendant poly(p-phenylene benzobisthiazole)

Abstract: Molecular mechanics and dynamics simulations have been performed on methyl‐pendant PBZT to study the effects of intermolecular crosslinking. Several possible crosslinked structures were investigated. The effect of crosslinking was found to be strongly dependent upon crosslink type and, in some instances, crosslink density. A significant axial stress is predicted to occur upon the formation of phenyl‐to‐phenyl type crosslinks. This provides a reasonable explanation for the experimental observation of transverse… Show more

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Cited by 13 publications
(12 citation statements)
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“…This cracking phenomenon in MePBZT has been investigated using atomistic simulation techniques. Simulations suggest an internal stress is generated on crosslinking 220. Experimental observations, consistent with the simulated results, have also been reported 221.…”
Section: Chemical Modificationssupporting
confidence: 81%
See 1 more Smart Citation
“…This cracking phenomenon in MePBZT has been investigated using atomistic simulation techniques. Simulations suggest an internal stress is generated on crosslinking 220. Experimental observations, consistent with the simulated results, have also been reported 221.…”
Section: Chemical Modificationssupporting
confidence: 81%
“…Swelling studies were used as a means to detect the presence of crosslinking in these materials, with electron radiation dosages as high as 30 Mrad being used 237. Electron radiation has also been used in an attempt to crosslink methyl and dimethyl PBZT and observe the presence of crosslinks (i.e., via solid‐state 13 C NMR) 238. Crosslinking was not detected upon exposure to as high as 1 Grad radiation dosage.…”
Section: Chemical Modificationsmentioning
confidence: 99%
“…18,19 Other major problems are the "peeling" effect and the low resistance to compression. [20][21][22][23][24] These problems arise from the strong anisotropy of fibers, which exhibit high modulus along the fiber axis and a low one in the perpendicular direction. The reason can be attributed to weak chain-to-chain transversal interactions: the insertion of dipolar groups along the chain, as for example the polyamide, may reduce such an effect.…”
Section: Introductionmentioning
confidence: 99%
“…However, the stresses generated on intermolecular cross-linking are still a likely source for the drop in fiber tensile strength in the free-annealed fibers. 25 It can be argued that the tensile strength reduction in the free-annealed samples may be a result of degradation. However the degradation in the free-and tension-annealed samples should be comparable.…”
Section: Resultsmentioning
confidence: 99%