Quantum-Chemical Calculation of the Effect of Stress upon Reactions in Polymers
Source abstract
Abstract
Abstract The change of energy barrier of stretched model molecules is calculated using semi-empirical quantum-chemical method MNDO. The reactions studied include hydrogen abstraction from polyolefin chains and hydrolysis of polyamide and polyester molecules. Susceptibility of reactions to strain is evaluated. Comparison of calculated results with published experimental data on reactivity of stressed polymers shows that semi-empirical calculations provide reasonable evaluation of stress influence on kinetics of polymer reactions.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Polymer crystallization and properties · Fiber-reinforced polymer composites · Carbon Nanotubes in Composites
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (28)
Show source-provided references
1. 10.1016/0014-3057(81)90051-310.1016/0014-3057(81)90051-3 ↗
2. 10.1016/0014-3057(82)90178-110.1016/0014-3057(82)90178-1 ↗
3. 10.1002/pol.1983.18021070310.1002/pol.1983.180210703 ↗
4. 10.1016/0141-3910(84)90028-410.1016/0141-3910(84)90028-4 ↗
5. Krisyuk B. E. · Vysokomolec. Soedineniya A (Polym. Sci. USSR) · 1988 · 30 · 1736
6. Bershtein V. A. · Vysokomolec. Soedineniya A (Polym. Sci. USSR) · 1977 · 19 · 1260
7. Krisyuk B. E. · Vysokomolec. Soedineniya A (Polym. Sci. USSR) · 1989 · 31 · 328
8. Krisyuk B. E. · Vysokomolec. Soedineniva A (Polym. Sci. USSR) · 1992 · 34
9. Manelis G. B. · Sov. Sci. Rev. B. Chem. · 1991 · 15 · 61
10. Krisyuk B. E. · Vysokomolec. Soedineniya A (Polym. Sci. USSR) · 1983 · 25 · 558
11. Popov A. A. · J. Macromol. Sci.—Rev. Macromol. Chem. Phys. · 1987 · 27 · 34310.1080/07366578708078818 ↗
12. Popov A. · 1991
13. 10.1063/1.33378910.1063/1.333789 ↗
14. Zarkhin L. S. · Doklady Akademii Navk SSSR · 1987 · 293 · 133
15. Krisyuk B. E. · Doklady Akademii Nayk SSSR · 1989 · 304 · 1177
16. Krisyuk B. E. · Khimicheskaya Fizika. · 1990 · 9 · 127
17. Krisyuk B. E. · Khimicheskaya Fizika. · 1993 · 12 · 253
18. 10.1021/ja00457a00410.1021/ja00457a004 ↗
19. 10.1021/ja00469a01010.1021/ja00469a010 ↗
20. Sakurada I. · J. Polym. Sci., C. · 1966 · 15 · 7510.1002/polc.5070150107 ↗
21. Kausch H. H. · 1978
22. Popov A. A. · Izvestiya Akademii Nauk SSSR. seriya chimicheskaya · 1975 · 282 · 982
23. 10.1002/kin.55002060510.1002/kin.550020605 ↗
24. 10.1002/pol.1981.18019030510.1002/pol.1981.180190305 ↗
25. 10.1021/j100836a01810.1021/j100836a018 ↗
26. 10.1016/0032-3861(60)90047-110.1016/0032-3861(60)90047-1 ↗
27. Regel V. R. · Uspekhi Fizicheskikh Nauk · 1972 · 106 · 19310.3367/UFNr.0106.197202a.0193 ↗
28. 10.1002/masy.1991041011210.1002/masy.19910410112 ↗