Conformational Analysis of Polymers.
Final rept. 18 Oct 71-31 Dec 76,
UTAH UNIV SALT LAKE CITY DEPT OF CHEMICAL ENGINEERING
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The project dealt with applying conformational energy calculations to polymers. The early stages involved using energy parameters developed for small or ordinary sized hydrocarbon molecules to calculate the stable conformations and barriers to rotation in isolated hydrocarbon polymer molecules. Later stages involved similating localized molecular motions postulated to be the basis for relaxations or transitions that control mechanical properties of bulk plastics. Calculational methods were developed that permit in favorable circumstances the inclusion of the response of the surrounding chains to localized motions of a chain in the bulk phase. Finally, a new set of energy parameters or force-field was developed for phosphazenes so that the conformational energy method can be applied to polyphosphazenes. It should now be possible to study the properties of phosphazene polymers by this method. Author
- Polymer Chemistry
- Atomic and Molecular Physics and Spectroscopy