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http://hdl.handle.net/10397/5109
| Title: | Computer simulation of end-linked elastomers. II. Bulk cured tetrafunctional networks | Authors: | Leung, YK Eichinger, BE |
Issue Date: | 15-Apr-1984 | Source: | Journal of chemical physics, 15 Apr. 1984, v. 80, no. 8, p. 3885-3891 | Abstract: | Sol-gel distributions at high conversions, simulated by computer with spatial constraints on the distribution of chain ends, are reported for end-linked tetrafunctional systems. The composition of the sol is found to be uniquely dependent upon the functionality f of the cross linker: for f = 4, it mainly consists of linear monomers and oligomers containing one saturated cross linker. The molecular weight distribution of the sol exhibits a shoulder at the trimer due to the relative abundance of the "bow-tie" molecule. The populations of various types of dangling ends and loop defects in the gel are given and discussed. Our simulations reveal empirically that the single-loop probability varies with the - 3/8 power of the molecular weight of the prepolymers. The power-law dependence of the loop formation on chain length of the prepolymers and the nonrandom nature of the cross-linking reaction is discussed. | Keywords: | Computerized simulation Sols Gels Polymers Elasticity Polymerization Network analysis |
Publisher: | American Institute of Physics | Journal: | Journal of chemical physics | ISSN: | 0021-9606 | EISSN: | 1089-7690 | DOI: | 10.1063/1.447170 | Rights: | © 1984 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Y.-K. Leung & B. E. Eichinger, J. Chem. Phys. 80, 3885 (1984) and may be found at http://link.aip.org/link/?jcp/80/3885. |
| Appears in Collections: | Journal/Magazine Article |
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| File | Description | Size | Format | |
|---|---|---|---|---|
| Leung_Computer_simulation-bulk.pdf | 1.06 MB | Adobe PDF | View/Open |
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