Distribution functions for polyoxide chains, including poly(oxymethylene) helices containing known numbers of disruptionsa)
| Autor: | J. E. Mark, J. G. Curro |
|---|---|
| Rok vydání: | 1985 |
| Předmět: |
chemistry.chemical_classification
Materials science Monte Carlo method General Physics and Astronomy Polymer Polyethylene Helicity chemistry.chemical_compound Crystallography Distribution function Distribution (mathematics) chemistry Polymer chemistry Molecule Physical and Theoretical Chemistry Repeat unit |
| Zdroj: | The Journal of Chemical Physics. 82:3820-3823 |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.448871 |
| Popis: | Monte Carlo simulations based on rotational isomeric state models were used to generate distribution functions for the end‐to‐end separation of polyoxide chains having the repeat unit [–(CH2)mO–]. High temperatures minimize differences in the distributions arising from differences in conformational preferences, nonetheless even at 200 °C poly(oxymethylene) (m=1) has a narrower distribution than poly(oxyethylene) (m=2), poly(trimethylene oxide) (m=3), and polyethylene (m→∞), presumably because of its helicity. Decrease in temperature or increase in chain length bring out important differences in the distributions, including the appearance or disappearance of multiple maxima in the case of the helical poly(oxymethylene). The multimodal distributions are elucidated by construction of separate distributions for chains with specified numbers of helical disruptions. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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