The structure of liquid polyethylene: Computer simulation and IR spectroscopic data
| Autor: | A.S. Pavlov, P.M. Pakhomov, P.G. Khalatur |
|---|---|
| Rok vydání: | 1983 |
| Předmět: |
Quantitative Biology::Biomolecules
Materials science General Engineering Structure (category theory) Thermodynamics Infrared spectroscopy Polyethylene Folding (chemistry) chemistry.chemical_compound Crystallography Chain (algebraic topology) chemistry Intramolecular force Radius of gyration Macromolecule |
| Zdroj: | Polymer Science U.S.S.R.. 25:1937-1945 |
| ISSN: | 0032-3950 |
| DOI: | 10.1016/0032-3950(83)90315-5 |
| Popis: | The Monte-Carlo method has been used to investigate the equilibrium properties of systems consisting of many interacting PE chains. The mean-square radius of gyration of the chains has been calculated as a function of the density of links in the system, the density reaching a value equal to 0·72 of the melt density. The conformational composition of PE macromolecules in the liquid state has been investigated theoretically (by the Monte-Carlo method) and experimentally (by IR spectroscopy). The average dimensions of the PE chains and their local structural characteristics are found to be the same as those for isolated chains under θ-conditions. No indications of the existence of extensive intramolecular folding have been found. The results of the calculations exhibit satisfactory quantitative agreement with experimental data regarding the conformational composition and the average chain dimensions. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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